Документ взят из кэша поисковой машины. Адрес оригинального документа : http://kodomo.cmm.msu.ru/~ipoverennaya/term5/1knp.hb2 Дата изменения: Tue Sep 14 23:20:57 2010 Дата индексирования: Tue Oct 2 11:17:43 2012 Кодировка:

HBPLUS Hydrogen Bond Calculator v 3.15 Sep 14 23:20:57 MSD 2010
(c) I McDonald, D Naylor, D Jones and J Thornton 1993 All Rights Reserved.
Citing HBPLUS in publications that use these results is condition of use.
1KNP <- Brookhaven Code "1knp.pdb" <- PDB file
<---DONOR---> <-ACCEPTOR--> atom ^
c i cat <-CA-CA-> ^ H-A-AA ^ H-
h n atom resd res DA || num DHA H-A angle D-A-AA Bond
n s type num typ dist DA aas dist angle dist angle num
A0194-THR N A0006-GLU OE1 3.19 MS 188 5.66 154.0 2.27 106.0 112.8 1
A0007-HIS N A0194-THR O 3.11 MM 187 6.16 119.3 2.50 144.6 156.1 2
A0196-HIS N A0007-HIS O 2.70 MM 189 5.83 160.7 1.74 135.7 141.4 3
A0009-CYS SG A0196-HIS O 3.50 SM 187 6.40 158.1 2.23 144.6 138.4 4
A0010-ASP N A0032-GLN O 2.63 MM 22 4.90 151.4 1.70 133.2 143.6 5
A0198-LYS N A0010-ASP O 3.01 MM 188 5.10 146.8 2.12 126.4 136.9 6
A0199-ALA N A0010-ASP O 3.01 MM 189 6.32 134.6 2.23 154.4 164.2 7
A0198-LYS NZ A0010-ASP OD1 3.22 SS 188 5.10 134.5 2.43 164.3 156.4 8
A0032-GLN N A0010-ASP OD2 2.89 MS 22 4.90 172.5 1.89 116.0 118.0 9
A0011-VAL N A0032-GLN O 3.06 MM 21 6.40 154.9 2.13 150.0 157.9 10
A0034-ILE N A0011-VAL O 3.34 MM 23 6.78 153.9 2.41 154.2 161.7 11
A0012-LEU N A0199-ALA O 2.70 MM 187 6.08 161.6 1.73 166.1 170.3 12
A0201-VAL N A0012-LEU O 2.85 MM 189 6.08 167.6 1.86 169.9 169.4 13
A0013-ILE N A0034-ILE O 2.74 MM 21 5.92 150.9 1.82 154.2 163.5 14
A0036-LEU N A0013-ILE O 2.69 MM 23 6.24 153.3 1.76 155.3 164.3 15
A0014-ILE N A0201-VAL O 2.86 MM 187 5.92 150.6 1.95 151.9 161.6 16
A0203-ALA N A0014-ILE O 2.58 MM 189 5.39 150.4 1.66 158.8 161.6 17
A0015-GLY N A0036-LEU O 2.90 MM 21 5.20 137.4 2.08 119.5 130.9 18
A0016-SER N A0800-FAD O3B 3.13 MH -2 -1.00 177.0 2.13 117.9 118.3 19
A0016-SER OG A0041-VAL O 2.96 SM 25 6.32 155.4 2.02 128.1 121.7 20
A0016-SER OG A0800-FAD O3B 3.38 SH -2 -1.00 170.1 2.39 161.9 163.6 21
A0021-LEU N A0017-GLY O 2.88 MM 4 5.66 149.3 1.97 155.2 164.6 22
A0018-ALA N A0046-THR OG1 3.18 MS 28 6.16 160.3 2.22 114.9 108.8 23
A0022-SER N A0018-ALA O 3.11 MM 4 5.57 148.4 2.21 124.1 133.3 24
A0022-SER OG A0018-ALA O 2.84 SM 4 5.57 139.1 2.00 145.2 158.4 25
A0019-ALA N A0800-FAD O1P 3.07 MH -2 -1.00 169.7 2.08 148.6 150.5 26
A0022-SER OG A0019-ALA O 3.38 SM 3 5.48 164.9 2.40 115.1 116.6 27
A0023-LEU N A0019-ALA O 3.09 MM 4 6.00 136.1 2.29 133.1 144.4 28
A0023-LEU N A0020-GLY O 2.92 MM 3 4.90 122.1 2.26 95.2 111.0 29
A0024-ALA N A0020-GLY O 2.62 MM 4 5.74 147.1 1.72 151.8 162.7 30
A0025-LEU N A0021-LEU O 2.96 MM 4 6.24 150.7 2.04 159.6 162.3 31
A0026-ARG N A0022-SER O 3.48 MM 4 6.56 175.6 2.48 138.8 138.2 32
A0027-LEU N A0023-LEU O 3.17 MM 4 6.32 141.0 2.33 142.8 152.6 33
A0027-LEU N A0024-ALA O 3.07 MM 3 5.20 127.8 2.36 97.1 110.8 34
A0028-ALA N A0024-ALA O 3.02 MM 4 6.00 126.6 2.31 148.5 162.2 35
A0028-ALA N A0025-LEU O 2.78 MM 3 5.00 145.5 1.90 117.9 128.9 36
A0030-GLN N A0027-LEU O 3.11 MM 3 6.00 155.1 2.17 125.7 131.1 37
A0031-HIS N A0028-ALA O 3.30 MM 3 5.20 151.1 2.39 108.9 114.2 38
A0153-ASN ND2 A0028-ALA O 2.97 SM 125 5.39 153.7 2.04 134.7 142.6 39
A0151-HIS NE2 A0029-ASP OD1 3.20 SS 122 8.72 166.1 2.22 152.8 156.3 40
A0032-GLN NE2 A0153-ASN OD1 2.69 SS 121 5.10 104.2 2.26 112.6 106.5 41
A0033-VAL N A0153-ASN O 2.81 MM 120 6.08 177.3 1.81 165.9 166.6 42
A0155-ARG N A0033-VAL O 2.83 MM 122 6.24 155.0 1.89 156.6 163.3 43
A0035-VAL N A0155-ARG O 3.11 MM 120 6.32 153.6 2.18 143.9 151.5 44
A0157-LEU N A0035-VAL O 2.99 MM 122 6.16 162.8 2.02 162.1 167.5 45
A0160-THR N A0037-SER O 2.89 MM 123 5.74 161.8 1.93 135.7 141.4 46
A0037-SER OG A0039-GLY O 2.46 SM 2 5.57 122.8 1.77 148.4 131.4 47
A0037-SER OG A0040-PRO O 2.92 SM 3 6.40 126.3 2.21 97.1 93.8 48
A0038-LYS N A0800-FAD O2B 2.85 MH -2 -1.00 153.2 1.92 138.9 148.0 49
A0038-LYS NZ A0219-ILE O 2.87 SM 181 7.48 110.5 2.35 113.8 131.5 50
A0038-LYS NZ A0221-SER OG 2.87 SS 183 10.58 121.0 2.21 158.8 152.7 51
A0159-ARG N A0039-GLY O 3.04 MM 120 4.36 159.7 2.09 119.7 121.7 52
A0043-GLU N A0040-PRO O 3.12 MM 3 5.48 158.7 2.17 113.4 119.6 53
A0041-VAL N A0158-GLU OE1 3.22 MS 117 5.29 169.8 2.24 98.8 97.7 54
A0047-PHE N A0044-GLY O 3.19 MM 3 5.83 129.0 2.47 119.5 128.6 55
A0045-SER N A0800-FAD O1A 3.10 MH -2 -1.00 142.4 2.25 120.4 110.8 56
A0048-TYR N A0045-SER O 2.80 MM 3 5.20 141.5 1.95 110.5 122.9 57
A0046-THR N A0800-FAD O2A 3.05 MH -2 -1.00 145.2 2.18 131.5 133.9 58
A0049-ALA N A0046-THR O 2.93 MM 3 5.29 177.3 1.93 121.2 120.5 59
A0046-THR OG1 A0800-FAD O2A 2.52 SH -2 -1.00 175.4 1.52 149.4 151.2 60
A0046-THR OG1 A0800-FAD O4' 2.92 SH -2 -1.00 172.9 1.92 131.6 129.2 61
A0137-GLY N A0049-ALA O 2.50 MM 88 4.12 156.3 1.55 139.8 143.2 62
A0136-THR N A0050-GLN O 2.74 MM 86 4.90 164.8 1.76 134.1 130.2 63
A0136-THR OG1 A0050-GLN O 2.24 SM 86 4.90 174.9 1.24 140.1 140.8 64
A0259-THR N A0050-GLN OE1 2.87 MS 209 6.08 112.3 2.34 161.5 154.4 65
A0050-GLN NE2 A0257-LEU O 2.47 SM 207 8.31 145.8 1.58 140.4 136.5 66
A0052-GLY N A0800-FAD O4 2.91 MH -2 -1.00 137.1 2.09 144.8 140.4 67
A0389-SER OG A0052-GLY O 2.77 SM 337 6.16 175.9 1.78 127.8 128.2 68
A0800-FAD N3 A0052-GLY O 2.87 HM -2 -1.00 -1.0 -1.00 -1.0 133.6 69
A0053-ILE N A0130-LEU O 2.85 MM 77 5.29 141.7 1.99 151.5 160.4 70
A0130-LEU N A0053-ILE O 3.08 MM 77 5.29 132.0 2.32 153.7 141.3 71
A0054-ALA N A0389-SER O 3.11 MM 335 4.90 161.4 2.14 134.1 133.6 72
A0055-ALA N A0128-ARG O 3.24 MM 73 5.83 151.2 2.33 158.2 166.5 73
A0061-ASP N A0058-ASP O 3.06 MM 3 5.10 120.1 2.43 99.5 113.6 74
A0060-THR N A0058-ASP OD1 2.57 MS 2 5.10 143.4 1.70 137.0 143.4 75
A0062-SER N A0061-ASP OD1 2.63 MS 1 3.74 139.1 1.79 108.9 97.9 76
A0128-ARG NH1 A0061-ASP OD2 2.89 SS 67 7.68 154.5 1.95 99.8 96.7 77
A0065-SER N A0062-SER O 2.93 MM 3 5.48 126.4 2.22 114.9 126.0 78
A0066-HIS N A0062-SER O 3.38 MM 4 6.63 157.7 2.43 153.1 159.4 79
A0065-SER N A0062-SER OG 3.08 MS 3 5.48 154.1 2.15 142.1 148.4 80
A0066-HIS N A0063-ILE O 3.02 MM 3 5.10 117.1 2.43 102.0 117.9 81
A0067-VAL N A0063-ILE O 2.91 MM 4 6.16 156.1 1.97 158.3 165.6 82
A0068-GLU N A0064-ASP O 2.97 MM 4 6.08 170.6 1.98 165.2 162.2 83
A0069-ASP N A0065-SER O 2.62 MM 4 5.74 172.4 1.62 161.1 163.8 84
A0070-THR N A0066-HIS O 3.07 MM 4 6.08 169.0 2.08 137.5 141.1 85
A0070-THR OG1 A0066-HIS O 2.66 SM 4 6.08 177.8 1.66 157.5 157.6 86
A0066-HIS NE2 A0390-ASN OD1 3.08 SS 324 9.64 157.7 2.13 124.0 126.8 87
A0070-THR N A0067-VAL O 2.55 MM 3 4.90 100.4 2.17 115.4 134.9 88
A0071-LEU N A0067-VAL O 2.71 MM 4 6.00 144.2 1.84 139.3 151.5 89
A0072-ILE N A0068-GLU O 2.83 MM 4 6.00 143.4 1.96 139.5 148.2 90
A0072-ILE N A0069-ASP O 2.98 MM 3 5.10 121.9 2.33 97.3 112.2 91
A0073-ALA N A0069-ASP O 2.77 MM 4 5.92 172.9 1.78 167.0 167.6 92
A0125-SER OG A0069-ASP OD1 3.12 SS 56 7.00 159.5 2.17 97.9 98.2 93
A0125-SER N A0069-ASP OD2 2.70 MS 56 7.00 100.7 2.33 163.8 148.8 94
A0128-ARG NH2 A0069-ASP OD2 2.71 SS 59 11.96 120.2 2.07 108.4 116.0 95
A0074-GLY N A0070-THR O 2.88 MM 4 5.83 147.9 1.98 157.8 165.0 96
A0390-ASN ND2 A0070-THR OG1 3.17 SS 320 8.31 141.4 2.33 124.0 114.8 97
A0075-ALA N A0072-ILE O 2.90 MM 3 5.39 175.8 1.90 124.8 125.1 98
A0385-ASN ND2 A0073-ALA O 2.99 SM 312 6.08 151.0 2.07 119.7 129.0 99
A0077-ILE N A0074-GLY O 3.38 MM 3 6.16 166.1 2.40 134.4 131.6 100
A0384-ALA N A0074-GLY O 3.23 MM 310 4.90 169.3 2.24 122.9 122.4 101
A0511-ARG NH1 A0075-ALA O 3.11 SM 436 6.40 161.4 2.15 154.9 152.8 102
A0078-CYS SG A0381-LEU O 3.25 SM 303 5.48 160.5 1.97 125.3 129.1 103
A0079-ASP N A0380-GLY O 2.79 MM 301 4.58 153.2 1.86 125.6 133.0 104
A0083-VAL N A0079-ASP O 3.09 MM 4 6.40 139.4 2.27 144.4 156.4 105
A0081-HIS N A0079-ASP OD1 2.87 MS 2 6.08 103.5 2.46 136.2 155.5 106
A0082-ALA N A0079-ASP OD1 2.79 MS 3 5.48 170.3 1.80 147.0 148.0 107
A0083-VAL N A0080-ARG O 3.05 MM 3 5.00 121.2 2.41 93.0 107.1 108
A0084-GLU N A0080-ARG O 3.05 MM 4 6.16 172.7 2.05 163.0 162.1 109
A0080-ARG NE A0084-GLU OE2 2.76 SS 4 6.16 139.3 1.92 132.4 135.1 110
A0085-PHE N A0081-HIS O 2.91 MM 4 5.74 162.5 1.94 165.2 170.1 111
A0081-HIS ND1 A0817-HOH O 3.11 SH -2 -1.00 122.3 2.46 -1.0 -1.0 112
A0817-HOH O A0081-HIS ND1 3.11 HS -2 -1.00 -1.0 -1.00 -1.0 104.5 113
A0081-HIS NE2 A0361-ASP OD2 3.13 SS 280 9.17 137.3 2.32 132.4 124.9 114
A0087-ALA N A0083-VAL O 2.57 MM 4 5.66 163.6 1.59 151.2 157.2 115
A0088-SER N A0084-GLU O 2.43 MM 4 5.57 142.8 1.55 144.5 155.5 116
A0088-SER OG A0084-GLU O 2.69 SM 4 5.57 149.0 1.78 116.8 127.0 117
A0817-HOH O A0084-GLU OE1 2.50 HS -2 -1.00 -1.0 -1.00 -1.0 134.3 118
A0088-SER OG A0085-PHE O 2.61 SM 3 5.00 161.6 1.64 117.7 115.1 119
A0089-ASN ND2 A0085-PHE O 2.68 SM 4 6.86 135.4 1.87 143.7 147.5 120
A0089-ASN N A0086-VAL O 3.31 MM 3 5.39 172.6 2.32 109.7 109.8 121
A0093-CYS N A0089-ASN O 3.04 MM 4 6.16 169.6 2.05 142.2 144.6 122
A0093-CYS SG A0089-ASN O 2.94 SM 4 6.16 165.3 1.63 145.2 147.9 123
A0093-CYS N A0090-ALA O 2.04 MM 3 4.69 90.7 1.77 129.1 149.6 124
A0094-VAL N A0090-ALA O 2.05 MM 4 4.90 132.2 1.24 93.1 114.1 125
A0091-ARG N A0818-HOH O 1.88 MH -2 -1.00 103.1 1.38 -1.0 -1.0 126
A0095-GLN N A0091-ARG O 1.47 MM 4 4.24 124.2 0.66 99.0 133.1 127
A0092-SER N A0818-HOH O 3.22 MH -2 -1.00 137.5 2.41 -1.0 -1.0 128
A0096-TRP N A0092-SER O 2.41 MM 4 5.57 150.2 1.49 144.9 154.0 129
A0092-SER OG A0809-HOH O 2.89 SH -2 -1.00 154.3 1.95 -1.0 -1.0 130
A0809-HOH O A0092-SER OG 2.89 HS -2 -1.00 -1.0 -1.00 -1.0 127.1 131
A0097-LEU N A0093-CYS O 3.03 MM 4 6.24 154.6 2.10 157.3 161.5 132
A0097-LEU N A0094-VAL O 2.94 MM 3 5.20 122.6 2.28 108.1 122.6 133
A0098-ILE N A0094-VAL O 3.13 MM 4 6.40 150.7 2.22 151.8 160.7 134
A0098-ILE N A0095-GLN O 3.01 MM 3 4.90 118.2 2.40 94.7 110.7 135
A0099-ASP N A0095-GLN O 2.66 MM 4 5.92 156.5 1.71 155.1 161.7 136
A0095-GLN NE2 A0099-ASP OD1 2.84 SS 4 5.92 165.3 1.87 142.6 146.1 137
A0100-GLN NE2 A0096-TRP O 2.90 SM 4 6.32 140.2 2.06 123.9 132.2 138
A0100-GLN N A0097-LEU O 2.94 MM 3 4.90 150.2 2.03 94.0 102.4 139
A0102-VAL N A0097-LEU O 3.37 MM 5 5.92 164.0 2.39 138.7 138.5 140
A0101-GLY N A0098-ILE O 2.87 MM 3 5.20 165.0 1.89 122.9 126.4 141
A0103-LEU N A0139-GLU OE1 2.88 MS 36 7.07 167.7 1.90 147.3 149.2 142
A0105-ASP N A0131-HIS O 2.74 MM 26 5.83 142.0 1.88 144.9 157.4 143
A0117-HIS N A0105-ASP O 2.59 MM 12 5.57 166.0 1.61 158.7 163.8 144
A0133-ALA N A0105-ASP OD2 2.96 MS 28 6.63 161.6 1.99 90.6 96.6 145
A0106-THR OG1 A0115-SER O 3.18 SM 9 5.29 147.7 2.29 111.4 121.0 146
A0107-HIS N A0115-SER O 2.16 MM 8 4.69 164.8 1.18 146.7 150.4 147
A0117-HIS ND1 A0131-HIS NE2 3.21 SS 14 7.42 141.0 2.37 150.4 111.0 148
A0131-HIS NE2 A0117-HIS ND1 3.21 SS 14 7.42 158.5 2.26 139.3 104.5 149
A0127-ARG NH1 A0118-LEU O 2.48 SM 9 5.39 140.5 1.62 156.4 147.6 150
A0119-THR N A0129-ILE O 3.23 MM 10 4.90 160.4 2.27 130.4 127.9 151
A0129-ILE N A0119-THR O 3.19 MM 10 4.90 146.0 2.31 141.6 142.1 152
A0124-HIS N A0121-GLU O 3.33 MM 3 6.00 164.3 2.35 132.0 136.3 153
A0122-GLY N A0260-GLU OE2 3.01 MS 138 7.28 170.5 2.01 116.5 119.1 154
A0123-GLY N A0287-LEU O 3.23 MM 164 6.48 139.0 2.41 160.2 150.0 155
A0124-HIS NE2 A0388-ALA O 2.82 SM 264 8.25 144.5 1.95 142.4 149.4 156
A0127-ARG NH1 A0265-GLU OE2 3.29 SS 138 10.63 171.6 2.30 122.2 119.9 157
A0131-HIS ND1 A0133-ALA O 2.45 SM 2 6.00 133.1 1.65 159.2 146.9 158
A0135-ALA N A0132-ALA O 2.88 MM 3 5.74 166.1 1.90 152.0 155.7 159
A0134-ASP N A0134-ASP OD1 2.55 MS 0 -1.00 127.2 1.82 108.1 90.8 160
A0327-MET N A0134-ASP OD1 3.12 MS 193 6.24 124.7 2.44 123.9 108.9 161
A0328-ILE N A0134-ASP OD2 2.54 MS 194 6.93 154.6 1.60 144.3 147.4 162
A0138-ARG N A0135-ALA O 3.17 MM 3 5.92 124.4 2.50 125.9 135.4 163
A0139-GLU N A0136-THR O 2.67 MM 3 5.39 121.0 2.01 122.9 137.7 164
A0140-VAL N A0136-THR O 3.07 MM 4 6.40 146.4 2.19 142.5 152.3 165
A0140-VAL N A0137-GLY O 2.95 MM 3 5.10 115.1 2.38 100.2 116.3 166
A0141-GLU N A0137-GLY O 2.66 MM 4 5.74 172.6 1.67 174.3 175.3 167
A0142-THR N A0138-ARG O 3.01 MM 4 5.57 133.8 2.23 140.7 149.9 168
A0143-THR N A0139-GLU O 3.35 MM 4 6.08 151.9 2.43 120.6 127.5 169
A0143-THR OG1 A0139-GLU O 2.54 SM 4 6.08 179.7 1.54 172.8 172.8 170
A0143-THR N A0140-VAL O 2.99 MM 3 5.20 113.9 2.45 97.3 112.9 171
A0144-LEU N A0140-VAL O 2.80 MM 4 6.08 166.2 1.82 172.3 171.3 172
A0145-VAL N A0141-GLU O 2.66 MM 4 5.66 170.7 1.67 175.8 177.7 173
A0146-SER N A0142-THR O 3.02 MM 4 6.08 163.1 2.05 144.2 147.9 174
A0147-LYS N A0143-THR O 2.91 MM 4 6.16 166.0 1.93 168.0 167.5 175
A0148-ALA N A0144-LEU O 2.86 MM 4 6.00 171.0 1.86 155.5 157.0 176
A0148-ALA N A0145-VAL O 2.93 MM 3 5.29 108.0 2.47 105.1 121.6 177
A0149-LEU N A0145-VAL O 2.93 MM 4 6.16 153.9 2.00 161.5 170.1 178
A0150-ASN N A0146-SER O 3.24 MM 4 6.32 138.7 2.42 143.5 151.7 179
A0150-ASN N A0147-LYS O 3.01 MM 3 5.29 137.0 2.20 110.8 122.3 180
A0154-ILE N A0151-HIS O 3.24 MM 3 5.74 173.5 2.24 132.7 134.6 181
A0153-ASN N A0151-HIS ND1 2.94 MS 2 5.66 157.6 1.99 148.8 107.4 182
A0160-THR OG1 A0158-GLU O 2.57 SM 2 5.29 172.9 1.57 145.0 142.4 183
A0815-HOH O A0158-GLU OE2 2.78 HS -2 -1.00 -1.0 -1.00 -1.0 96.4 184
A0159-ARG NH1 A0188-ASN OD1 2.70 SS 29 7.07 93.8 2.44 136.6 157.0 185
A0161-ASN N A0185-TRP O 2.98 MM 24 5.00 167.7 1.99 153.1 151.4 186
A0185-TRP N A0161-ASN O 2.81 MM 24 5.00 150.2 1.90 151.6 141.4 187
A0800-FAD N6A A0161-ASN OD1 3.22 HS -2 -1.00 -1.0 -1.00 -1.0 140.6 188
A0161-ASN ND2 A0485-ASN OD1 3.09 SS 324 7.75 161.2 2.13 136.2 131.8 189
A0163-VAL N A0183-TRP O 3.10 MM 20 5.74 161.0 2.14 166.1 160.1 190
A0183-TRP N A0164-ASP O 3.04 MM 19 5.74 153.1 2.12 160.3 168.9 191
A0230-ARG NE A0164-ASP OD1 2.77 SS 66 7.87 134.0 1.98 117.0 118.9 192
A0230-ARG NH2 A0164-ASP OD1 2.67 SS 66 7.87 138.0 1.84 137.5 132.4 193
A0802-HOH O A0164-ASP OD2 2.93 HS -2 -1.00 -1.0 -1.00 -1.0 135.5 194
A0166-ILE N A0181-GLY O 2.77 MM 15 5.00 167.1 1.78 120.4 123.5 195
A0180-VAL N A0166-ILE O 2.76 MM 14 5.57 154.6 1.82 165.8 171.8 196
A0170-LYS N A0167-VAL O 2.85 MM 3 5.39 155.4 1.91 117.3 125.1 197
A0168-SER N A0178-ARG O 3.08 MM 10 5.66 165.5 2.10 149.5 152.6 198
A0171-ILE N A0168-SER O 3.31 MM 3 5.39 138.5 2.49 102.4 112.1 199
A0173-LEU N A0168-SER O 2.82 MM 5 4.69 145.5 1.94 157.0 151.4 200
A0168-SER OG A0176-THR O 3.12 SM 8 7.55 129.2 2.39 143.5 134.4 201
A0178-ARG N A0168-SER OG 3.10 MS 10 5.66 152.7 2.18 139.8 144.0 202
A0168-SER OG A0178-ARG O 3.34 SM 10 5.66 153.7 2.42 110.5 117.6 203
A0169-ASP N A0169-ASP OD1 2.46 MS 0 -1.00 107.0 1.97 106.4 97.8 204
A0179-VAL N A0368-GLU O 2.88 MM 189 6.32 151.5 1.96 164.4 166.3 205
A0197-ALA N A0180-VAL O 3.00 MM 17 5.39 155.8 2.06 137.4 132.3 206
A0182-ALA N A0195-CYS O 3.20 MM 13 5.57 152.3 2.28 148.1 156.0 207
A0195-CYS N A0182-ALA O 3.15 MM 13 5.57 148.9 2.25 156.6 166.0 208
A0183-TRP NE1 A0420-PRO O 3.09 SM 237 9.43 157.5 2.14 150.6 153.3 209
A0184-VAL N A0193-GLU O 2.92 MM 9 5.39 169.1 1.93 163.4 167.0 210
A0193-GLU N A0184-VAL O 2.92 MM 9 5.39 145.5 2.04 159.2 150.8 211
A0186-ASN N A0191-THR O 2.71 MM 5 5.39 157.7 1.76 173.7 169.5 212
A0189-LYS N A0186-ASN O 3.01 MM 3 5.66 136.5 2.20 125.5 136.0 213
A0190-GLU N A0186-ASN O 2.80 MM 4 5.48 128.3 2.07 165.7 172.7 214
A0188-ASN N A0186-ASN OD1 2.95 MS 2 5.48 110.5 2.45 155.1 160.9 215
A0189-LYS N A0186-ASN OD1 2.92 MS 3 5.66 147.6 2.02 119.3 123.8 216
A0186-ASN ND2 A0193-GLU OE1 3.02 SS 7 6.56 171.6 2.03 113.0 114.2 217
A0191-THR OG1 A0189-LYS O 3.25 SM 2 5.74 154.6 2.32 110.0 109.6 218
A0196-HIS ND1 A0417-SER O 3.09 SM 221 7.68 132.7 2.32 167.8 160.5 219
A0200-VAL N A0369-GLY O 2.84 MM 169 5.92 156.7 1.89 159.7 167.7 220
A0371-TYR N A0200-VAL O 2.78 MM 171 6.24 155.7 1.84 153.4 161.1 221
A0202-LEU N A0371-TYR O 2.95 MM 169 6.00 165.7 1.97 143.7 139.6 222
A0373-ILE N A0202-LEU O 3.31 MM 171 6.56 152.9 2.38 174.3 177.3 223
A0222-GLY N A0206-GLY O 3.06 MM 16 5.00 149.2 2.15 130.4 121.2 224
A0207-ALA N A0353-THR OG1 2.87 MS 146 6.16 159.3 1.91 156.4 149.4 225
A0210-VAL N A0207-ALA O 2.78 MM 3 5.92 165.9 1.80 142.2 140.6 226
A0211-TYR N A0208-SER O 3.03 MM 3 5.57 165.9 2.05 117.4 121.4 227
A0209-LYS N A0220-SER O 3.27 MM 11 5.39 155.8 2.33 148.2 146.4 228
A0444-ARG NE A0209-LYS O 2.94 SM 235 7.35 142.9 2.08 142.9 148.9 229
A0444-ARG NH2 A0211-TYR O 2.85 SM 233 4.36 130.0 2.10 155.0 144.5 230
A0211-TYR OH A0451-VAL O 2.65 SM 240 8.83 151.4 1.73 149.2 159.3 231
A0212-GLN N A0444-ARG O 2.73 MM 232 4.24 129.2 1.99 135.6 119.6 232
A0350-ALA N A0213-TYR O 2.72 MM 137 5.83 164.2 1.75 138.0 136.3 233
A0215-THR N A0214-THR OG1 2.60 MS 1 3.61 94.3 2.33 104.1 92.5 234
A0216-ASN N A0214-THR OG1 2.88 MS 2 5.20 147.3 1.99 105.6 116.2 235
A0214-THR OG1 A0350-ALA O 2.28 SM 136 4.12 164.0 1.31 153.7 153.6 236
A0215-THR N A0350-ALA O 2.86 MM 135 6.00 146.2 1.98 140.7 146.4 237
A0215-THR OG1 A0351-HIS ND1 2.50 SS 136 5.20 151.0 1.58 127.7 116.9 238
A0351-HIS ND1 A0215-THR OG1 2.50 SS 136 5.20 164.8 1.52 122.7 127.8 239
A0255-ASN ND2 A0216-ASN O 2.64 SM 39 6.78 122.9 1.96 127.8 146.2 240
A0220-SER OG A0216-ASN OD1 2.56 SS 4 6.48 164.3 1.58 140.5 138.0 241
A0216-ASN ND2 A0351-HIS O 3.24 SM 135 6.32 153.4 2.32 124.6 116.9 242
A0221-SER N A0219-ILE O 2.39 MM 2 5.48 139.9 1.54 122.8 107.4 243
A0221-SER OG A0219-ILE O 3.06 SM 2 5.48 170.2 2.07 147.5 145.1 244
A0221-SER OG A0223-ASP OD1 2.75 SS 2 5.48 175.7 1.76 109.6 108.2 245
A0225-ILE N A0222-GLY O 2.80 MM 3 5.29 126.2 2.09 112.4 127.2 246
A0226-ALA N A0222-GLY O 2.97 MM 4 6.32 153.8 2.04 151.8 160.3 247
A0226-ALA N A0223-ASP O 2.83 MM 3 5.10 110.1 2.32 103.0 120.2 248
A0227-MET N A0223-ASP O 2.69 MM 4 6.00 165.7 1.71 164.0 168.9 249
A0492-ASN ND2 A0223-ASP OD1 2.84 SS 269 5.29 148.5 1.94 90.8 90.1 250
A0800-FAD N6A A0223-ASP OD2 2.52 HS -2 -1.00 -1.0 -1.00 -1.0 108.9 251
A0228-ALA N A0224-GLY O 2.98 MM 4 5.74 157.7 2.03 132.6 137.9 252
A0229-TRP N A0225-ILE O 3.05 MM 4 6.24 146.0 2.17 150.5 159.5 253
A0229-TRP N A0226-ALA O 2.88 MM 3 5.10 122.3 2.22 99.2 114.7 254
A0230-ARG N A0226-ALA O 2.88 MM 4 6.16 166.9 1.90 165.9 166.9 255
A0231-ALA N A0227-MET O 3.01 MM 4 6.16 134.1 2.23 147.9 161.2 256
A0233-CYS N A0228-ALA O 2.95 MM 5 5.39 173.4 1.96 146.7 144.7 257
A0233-CYS SG A0228-ALA O 3.49 SM 5 5.39 145.1 2.31 110.0 110.6 258
A0232-GLY N A0229-TRP O 2.77 MM 3 5.10 175.5 1.77 130.3 130.8 259
A0230-ARG NH1 A0492-ASN OD1 2.94 SS 262 10.15 155.5 2.00 167.0 175.0 260
A0230-ARG NH1 A0813-HOH O 2.81 SH -2 -1.00 164.2 1.83 -1.0 -1.0 261
A0230-ARG NH2 A0492-ASN OD1 3.20 SS 262 10.15 141.1 2.36 129.3 140.5 262
A0234-ARG N A0366-ASP OD2 2.86 MS 132 6.78 164.4 1.89 134.5 139.3 263
A0358-MET N A0234-ARG O 3.23 MM 124 5.83 164.2 2.25 128.3 133.1 264
A0807-HOH O A0234-ARG O 3.35 HM -2 -1.00 -1.0 -1.00 -1.0 129.5 265
A0234-ARG NE A0366-ASP OD2 2.72 SS 132 6.78 160.7 1.76 108.6 115.6 266
A0234-ARG NH2 A0366-ASP OD1 3.08 SS 132 6.78 160.0 2.12 116.5 115.2 267
A0235-VAL N A0531-LEU O 3.07 MM 296 5.57 155.5 2.13 155.4 163.0 268
A0531-LEU N A0235-VAL O 2.94 MM 296 5.57 170.4 1.94 160.9 163.1 269
A0236-ALA N A0356-GLY O 2.81 MM 120 5.48 152.9 1.88 147.3 155.1 270
A0356-GLY N A0236-ALA O 2.92 MM 120 5.48 152.8 1.99 155.8 162.9 271
A0237-ASN N A0529-SER O 2.84 MM 292 4.80 149.9 1.93 135.8 145.8 272
A0240-PHE N A0237-ASN O 3.20 MM 3 5.83 168.8 2.21 122.6 124.7 273
A0529-SER N A0237-ASN OD1 3.10 MS 292 4.80 145.2 2.22 155.2 157.5 274
A0239-GLU N A0239-GLU OE2 2.48 MS 0 -1.00 153.0 1.54 125.8 115.8 275
A0455-ARG NH1 A0239-GLU O 2.99 SM 216 10.72 169.2 2.00 133.5 137.0 276
A0507-ARG NE A0239-GLU OE1 2.59 SS 268 8.43 163.5 1.61 153.2 151.0 277
A0529-SER OG A0239-GLU OE1 2.89 SS 290 8.06 179.1 1.89 126.5 126.8 278
A0354-CYS N A0240-PHE O 3.23 MM 114 5.57 141.1 2.39 151.8 155.6 279
A0354-CYS SG A0240-PHE O 3.15 SM 114 5.57 133.7 2.08 134.3 147.3 280
A0242-GLN N A0352-TYR O 2.91 MM 110 5.10 170.5 1.92 153.6 156.2 281
A0351-HIS N A0242-GLN O 2.73 MM 109 5.48 150.6 1.81 166.7 168.4 282
A0290-ARG NH1 A0242-GLN OE1 2.88 SS 48 7.28 160.3 1.92 123.9 130.6 283
A0242-GLN NE2 A0385-ASN OD1 2.77 SS 143 7.14 130.2 2.02 150.2 134.3 284
A0243-PHE N A0804-HOH O 2.70 MH -2 -1.00 158.2 1.74 -1.0 -1.0 285
A0804-HOH O A0243-PHE O 2.73 HM -2 -1.00 -1.0 -1.00 -1.0 113.7 286
A0244-HIS N A0349-ALA O 2.82 MM 105 5.57 121.4 2.17 171.8 165.6 287
A0349-ALA N A0244-HIS O 3.21 MM 105 5.57 145.2 2.34 144.1 151.0 288
A0246-THR N A0244-HIS ND1 3.14 MS 2 5.66 163.3 2.17 139.7 116.6 289
A0244-HIS NE2 A0801-SIN O2 2.76 SH -2 -1.00 150.3 1.85 136.0 139.3 290
A0246-THR OG1 A0246-THR O 2.28 SM 0 -1.00 133.1 1.48 111.6 96.2 291
A0258-LEU N A0246-THR O 3.17 MM 12 5.74 150.1 2.26 150.9 159.9 292
A0246-THR OG1 A0258-LEU O 2.54 SM 12 5.74 120.0 1.89 125.9 145.8 293
A0247-ALA N A0347-VAL O 2.61 MM 100 5.00 157.6 1.66 146.5 153.4 294
A0347-VAL N A0247-ALA O 2.38 MM 100 5.00 160.2 1.42 162.4 166.9 295
A0248-LEU N A0256-PHE O 2.96 MM 8 5.48 156.3 2.01 153.4 160.4 296
A0249-TYR N A0345-PRO O 2.95 MM 96 5.20 160.3 1.99 110.4 116.7 297
A0253-ALA N A0250-HIS O 2.36 MM 3 4.69 158.7 1.40 130.8 136.3 298
A0254-ARG N A0252-GLN O 2.89 MM 2 5.48 123.2 2.21 107.6 90.8 299
A0262-LEU N A0259-THR O 3.24 MM 3 5.66 142.6 2.39 101.5 108.1 300
A0261-ALA N A0259-THR OG1 3.27 MS 2 5.00 152.8 2.35 108.6 102.0 301
A0259-THR OG1 A0801-SIN O1 2.26 SH -2 -1.00 147.5 1.35 127.1 138.3 302
A0260-GLU N A0801-SIN O2 2.74 MH -2 -1.00 144.0 1.87 104.7 115.8 303
A0263-ARG N A0260-GLU O 2.78 MM 3 5.29 121.1 2.13 118.2 131.3 304
A0264-GLY N A0260-GLU O 2.96 MM 4 6.24 142.3 2.11 141.5 152.3 305
A0263-ARG NH1 A0260-GLU OE1 3.30 SS 3 5.29 142.2 2.45 93.9 91.3 306
A0263-ARG NH2 A0260-GLU OE1 3.06 SS 3 5.29 154.1 2.13 102.8 97.2 307
A0264-GLY N A0261-ALA O 2.58 MM 3 4.36 112.8 2.02 90.4 111.2 308
A0265-GLU N A0261-ALA O 2.76 MM 4 6.16 135.0 1.96 157.4 169.7 309
A0265-GLU N A0262-LEU O 3.14 MM 3 5.29 130.5 2.40 96.6 108.1 310
A0267-ALA N A0262-LEU O 2.72 MM 5 5.00 155.2 1.78 138.4 134.5 311
A0266-GLY N A0263-ARG O 3.09 MM 3 5.10 164.5 2.12 117.5 114.3 312
A0263-ARG NH1 A0286-GLU O 2.67 SM 23 6.08 145.1 1.78 166.3 176.5 313
A0268-TYR N A0312-ASP O 2.76 MM 44 4.80 145.5 1.88 125.9 137.5 314
A0312-ASP N A0268-TYR O 2.82 MM 44 4.80 154.6 1.89 134.0 142.6 315
A0269-LEU N A0286-GLU OE2 3.35 MS 17 6.24 175.4 2.35 106.2 107.3 316
A0270-LYS N A0310-PHE O 2.85 MM 40 5.00 155.9 1.91 134.3 142.1 317
A0310-PHE N A0270-LYS O 2.92 MM 40 5.00 142.1 2.07 149.6 154.4 318
A0270-LYS NZ A0312-ASP OD2 2.68 SS 42 7.21 125.1 1.96 97.1 115.1 319
A0271-ARG N A0275-THR O 2.75 MM 4 5.39 160.4 1.79 160.8 166.8 320
A0274-GLY N A0271-ARG O 2.82 MM 3 5.29 175.9 1.82 129.6 128.2 321
A0271-ARG NE A0300-GLU OE2 2.72 SS 29 8.06 129.3 1.98 174.0 169.3 322
A0271-ARG NH1 A0275-THR OG1 3.18 SS 4 5.39 165.0 2.20 110.5 109.8 323
A0271-ARG NH2 A0280-ASP OD2 2.79 SS 9 11.70 169.9 1.80 136.4 140.0 324
A0271-ARG NH2 A0300-GLU OE2 2.81 SS 29 8.06 126.7 2.09 114.0 124.3 325
A0275-THR N A0273-ASP OD2 2.65 MS 2 5.83 168.0 1.66 152.4 156.9 326
A0275-THR OG1 A0273-ASP OD2 2.71 SS 2 5.83 162.9 1.74 124.8 127.5 327
A0280-ASP N A0277-PHE O 3.02 MM 3 5.66 156.3 2.07 129.8 136.3 328
A0281-PHE N A0278-MET O 2.57 MM 3 5.10 153.5 1.64 118.1 127.9 329
A0282-ASP N A0278-MET O 2.88 MM 4 6.00 145.5 2.00 145.2 156.3 330
A0285-GLY N A0282-ASP O 2.52 MM 3 5.29 150.2 1.60 136.8 141.4 331
A0284-ARG N A0282-ASP OD1 2.75 MS 2 5.10 156.8 1.80 135.6 137.3 332
A0284-ARG NE A0282-ASP OD1 2.72 SS 2 5.10 175.8 1.72 117.5 117.8 333
A0284-ARG NH1 A0282-ASP OD2 2.65 SS 2 5.10 176.2 1.65 120.1 119.8 334
A0287-LEU N A0284-ARG O 3.03 MM 3 5.48 141.8 2.18 144.6 142.1 335
A0288-ALA N A0285-GLY O 2.88 MM 3 5.57 155.1 1.94 143.1 136.1 336
A0293-VAL N A0289-PRO O 3.15 MM 4 6.32 167.2 2.16 150.7 154.3 337
A0294-ALA N A0290-ARG O 3.01 MM 4 5.57 154.8 2.07 142.7 149.3 338
A0291-ASP N A0291-ASP OD1 2.48 MS 0 -1.00 111.8 1.93 109.5 94.9 339
A0295-ARG N A0291-ASP O 3.09 MM 4 6.00 157.4 2.14 144.5 151.0 340
A0295-ARG NH1 A0291-ASP OD2 2.99 SS 4 6.00 153.7 2.06 112.2 109.6 341
A0296-ALA N A0292-ILE O 3.05 MM 4 6.16 140.7 2.21 136.8 146.5 342
A0296-ALA N A0293-VAL O 2.79 MM 3 4.90 119.1 2.16 98.4 115.1 343
A0297-ILE N A0293-VAL O 2.72 MM 4 6.08 162.5 1.75 169.4 171.0 344
A0298-ASP N A0294-ALA O 2.80 MM 4 6.00 160.5 1.84 151.1 157.2 345
A0299-HIS N A0295-ARG O 2.69 MM 4 5.83 170.6 1.70 153.7 156.5 346
A0806-HOH O A0295-ARG O 2.78 HM -2 -1.00 -1.0 -1.00 -1.0 124.3 347
A0295-ARG NH2 A0512-GLY O 3.13 SM 217 10.34 129.7 2.40 123.0 137.2 348
A0300-GLU N A0296-ALA O 2.91 MM 4 6.08 156.2 1.96 164.5 168.8 349
A0301-MET N A0297-ILE O 2.93 MM 4 6.16 167.2 1.95 159.0 161.1 350
A0302-LYS N A0298-ASP O 3.09 MM 4 6.32 165.1 2.11 157.5 160.4 351
A0302-LYS NZ A0298-ASP OD2 2.59 SS 4 6.32 163.8 1.60 108.7 103.0 352
A0806-HOH O A0298-ASP OD2 2.65 HS -2 -1.00 -1.0 -1.00 -1.0 119.7 353
A0303-ARG N A0299-HIS O 2.77 MM 4 6.08 176.0 1.77 163.3 162.0 354
A0304-LEU N A0300-GLU O 2.87 MM 4 5.74 167.8 1.88 149.4 153.2 355
A0303-ARG NE A0300-GLU OE1 3.01 SS 3 5.00 148.4 2.11 114.5 118.1 356
A0303-ARG NH2 A0300-GLU OE2 2.99 SS 3 5.00 169.6 2.00 104.2 107.0 357
A0305-GLY N A0301-MET O 2.67 MM 4 5.29 116.5 2.07 133.8 149.2 358
A0306-ALA N A0301-MET O 2.82 MM 5 4.58 149.2 1.92 126.2 136.4 359
A0305-GLY N A0302-LYS O 2.89 MM 3 4.80 140.0 2.05 102.2 114.9 360
A0309-MET N A0346-ILE O 3.31 MM 37 5.48 164.9 2.34 157.7 161.2 361
A0346-ILE N A0309-MET O 2.86 MM 37 5.48 148.4 1.96 138.4 144.1 362
A0311-LEU N A0344-VAL O 2.84 MM 33 5.00 152.7 1.91 139.6 147.8 363
A0344-VAL N A0311-LEU O 2.91 MM 33 5.00 164.1 1.93 144.1 139.2 364
A0315-HIS NE2 A0312-ASP O 3.08 SM 3 7.68 123.0 2.41 150.2 134.8 365
A0314-SER N A0312-ASP OD1 2.87 MS 2 5.57 162.3 1.90 132.4 137.3 366
A0316-LYS N A0313-ILE O 3.03 MM 3 5.57 138.6 2.20 115.0 120.1 367
A0320-PHE N A0317-PRO O 2.55 MM 3 5.20 117.1 1.94 131.5 149.5 368
A0321-ILE N A0317-PRO O 3.16 MM 4 6.32 142.1 2.31 144.4 153.6 369
A0322-ARG N A0318-ALA O 2.93 MM 4 6.16 167.5 1.94 156.3 158.6 370
A0323-GLN N A0319-ASP O 3.06 MM 4 6.08 147.4 2.17 144.4 151.1 371
A0323-GLN N A0320-PHE O 2.85 MM 3 5.39 132.1 2.08 120.3 133.9 372
A0324-HIS N A0320-PHE O 2.93 MM 4 6.08 145.1 2.05 157.9 166.0 373
A0324-HIS N A0321-ILE O 3.09 MM 3 5.20 130.7 2.34 105.4 118.6 374
A0325-PHE N A0321-ILE O 2.82 MM 4 5.66 151.7 1.90 171.5 172.6 375
A0329-TYR N A0325-PHE O 2.79 MM 4 5.74 142.4 1.93 142.4 154.2 376
A0329-TYR N A0326-PRO O 2.72 MM 3 4.90 115.7 2.14 103.2 121.5 377
A0330-GLU N A0326-PRO O 2.56 MM 4 5.83 160.0 1.60 162.9 170.5 378
A0331-LYS N A0327-MET O 3.06 MM 4 6.08 149.4 2.16 141.6 148.9 379
A0332-LEU N A0328-ILE O 2.97 MM 4 6.00 131.5 2.21 141.2 149.3 380
A0333-LEU N A0329-TYR O 3.35 MM 4 6.16 148.4 2.46 143.6 151.5 381
A0335-LEU N A0332-LEU O 2.85 MM 3 5.00 143.7 1.98 97.1 109.1 382
A0337-ILE N A0332-LEU O 2.74 MM 5 4.90 129.2 2.00 123.9 134.9 383
A0336-GLY N A0333-LEU O 2.77 MM 3 4.58 154.4 1.84 106.9 110.7 384
A0338-ASP N A0342-GLU OE2 2.42 MS 4 5.74 146.7 1.52 113.8 126.9 385
A0341-GLN N A0338-ASP O 2.57 MM 3 5.20 150.5 1.65 117.2 125.4 386
A0342-GLU N A0338-ASP O 2.75 MM 4 5.74 135.1 1.95 165.5 169.4 387
A0351-HIS NE2 A0801-SIN O4 3.28 SH -2 -1.00 168.0 2.29 95.6 99.2 388
A0352-TYR OH A0382-HIS NE2 2.67 SS 30 10.68 147.1 1.78 138.4 108.2 389
A0382-HIS NE2 A0352-TYR OH 2.67 SS 30 10.68 124.7 1.97 134.4 116.5 390
A0353-THR N A0375-GLU OE2 2.30 MS 22 6.16 155.9 1.35 137.5 147.1 391
A0353-THR OG1 A0375-GLU OE2 3.23 SS 22 6.16 144.8 2.36 121.8 121.9 392
A0357-VAL N A0376-VAL O 3.10 MM 19 6.32 170.8 2.11 144.6 141.7 393
A0378-TYR N A0357-VAL O 2.81 MM 21 5.20 140.2 1.97 143.1 130.7 394
A0807-HOH O A0358-MET O 2.69 HM -2 -1.00 -1.0 -1.00 -1.0 125.0 395
A0360-ASP N A0364-ARG O 2.91 MM 4 5.39 138.1 2.08 136.4 147.7 396
A0363-GLY N A0360-ASP O 3.11 MM 3 5.20 165.6 2.13 110.3 114.3 397
A0362-HIS N A0360-ASP OD1 2.75 MS 2 5.48 134.7 1.96 111.3 124.0 398
A0364-ARG N A0360-ASP OD1 3.06 MS 4 5.39 152.7 2.13 144.0 136.1 399
A0401-SER OG A0361-ASP O 2.53 SM 40 6.93 174.0 1.54 143.8 143.1 400
A0362-HIS ND1 A0401-SER O 3.13 SM 39 4.90 149.7 2.23 111.0 118.8 401
A0372-ALA N A0363-GLY O 2.54 MM 9 5.10 150.3 1.62 150.9 160.7 402
A0364-ARG NE A0405-ASP OD2 2.67 SS 41 8.89 136.5 1.86 117.0 123.8 403
A0364-ARG NH2 A0405-ASP OD1 2.67 SS 41 8.89 171.4 1.68 107.1 108.3 404
A0365-THR N A0370-LEU O 3.06 MM 5 5.83 171.9 2.06 154.0 152.3 405
A0810-HOH O A0365-THR O 2.38 HM -2 -1.00 -1.0 -1.00 -1.0 125.0 406
A0367-VAL N A0365-THR OG1 2.81 MS 2 5.39 162.9 1.84 131.3 132.4 407
A0365-THR OG1 A0370-LEU O 3.12 SM 5 5.83 163.1 2.15 122.3 123.8 408
A0366-ASP N A0807-HOH O 3.08 MH -2 -1.00 151.4 2.16 -1.0 -1.0 409
A0370-LEU N A0367-VAL O 2.93 MM 3 5.57 154.0 2.00 149.5 152.0 410
A0810-HOH O A0367-VAL O 3.34 HM -2 -1.00 -1.0 -1.00 -1.0 108.6 411
A0810-HOH O A0370-LEU O 3.08 HM -2 -1.00 -1.0 -1.00 -1.0 150.6 412
A0371-TYR OH A0405-ASP OD2 2.78 SS 34 10.25 157.4 1.83 127.6 131.3 413
A0409-ARG NH1 A0371-TYR OH 2.87 SS 38 12.61 143.4 2.01 123.0 113.3 414
A0377-SER N A0374-GLY O 2.89 MM 3 5.57 161.7 1.92 122.3 126.4 415
A0377-SER OG A0374-GLY O 2.83 SM 3 5.57 161.7 1.86 155.6 156.0 416
A0375-GLU N A0800-FAD O2P 3.21 MH -2 -1.00 157.7 2.26 147.1 153.6 417
A0381-LEU N A0379-THR OG1 2.93 MS 2 5.48 163.9 1.95 134.2 134.1 418
A0379-THR OG1 A0394-GLU OE2 2.88 SS 15 8.83 175.3 1.89 157.5 158.3 419
A0383-GLY N A0380-GLY O 3.48 MM 3 5.48 170.7 2.49 107.2 109.9 420
A0385-ASN N A0382-HIS O 2.76 MM 3 5.48 156.8 1.81 168.9 171.3 421
A0382-HIS NE2 A0394-GLU OE1 2.59 SS 12 9.38 129.1 1.84 143.1 125.8 422
A0513-LEU N A0384-ALA O 3.05 MM 129 6.00 162.8 2.08 164.6 163.2 423
A0819-HOH O A0385-ASN O 3.05 HM -2 -1.00 -1.0 -1.00 -1.0 131.2 424
A0387-MET N A0819-HOH O 3.12 MH -2 -1.00 126.6 2.42 -1.0 -1.0 425
A0390-ASN N A0387-MET O 2.93 MM 3 5.74 160.7 1.97 138.7 141.3 426
A0389-SER N A0801-SIN O3 2.95 MH -2 -1.00 147.0 2.07 159.6 162.0 427
A0394-GLU N A0390-ASN O 2.95 MM 4 6.08 122.1 2.29 134.0 147.1 428
A0394-GLU N A0391-SER O 2.90 MM 3 5.10 134.0 2.11 101.9 113.5 429
A0395-CYS N A0391-SER O 3.03 MM 4 6.32 166.1 2.05 157.1 159.4 430
A0395-CYS SG A0391-SER O 3.50 SM 4 6.32 167.6 2.19 126.0 128.7 431
A0800-FAD N1 A0391-SER OG 2.72 HS -2 -1.00 -1.0 -1.00 -1.0 107.8 432
A0392-LEU N A0800-FAD O2 2.58 MH -2 -1.00 165.6 1.60 123.3 128.4 433
A0396-LEU N A0392-LEU O 3.06 MM 4 6.40 137.2 2.25 149.3 159.6 434
A0397-VAL N A0393-LEU O 3.13 MM 4 6.40 166.8 2.15 149.1 151.0 435
A0398-TYR N A0394-GLU O 3.11 MM 4 6.08 146.2 2.23 156.7 161.0 436
A0399-GLY N A0395-CYS O 3.28 MM 4 6.24 143.4 2.43 140.7 148.7 437
A0400-TRP N A0396-LEU O 3.25 MM 4 6.40 149.8 2.34 146.7 153.2 438
A0401-SER N A0397-VAL O 3.15 MM 4 6.32 168.1 2.16 151.6 151.3 439
A0402-ALA N A0398-TYR O 3.04 MM 4 5.57 149.5 2.14 124.3 133.1 440
A0403-ALA N A0399-GLY O 3.01 MM 4 5.92 144.9 2.14 129.9 138.6 441
A0403-ALA N A0400-TRP O 2.72 MM 3 5.00 115.1 2.14 102.8 120.2 442
A0404-GLU N A0400-TRP O 2.92 MM 4 6.24 149.3 2.02 158.4 167.9 443
A0405-ASP N A0401-SER O 3.10 MM 4 6.32 160.7 2.14 152.8 155.3 444
A0406-ILE N A0402-ALA O 2.95 MM 4 6.00 162.7 1.98 153.9 157.8 445
A0407-THR N A0403-ALA O 2.95 MM 4 5.83 151.8 2.03 151.9 155.2 446
A0407-THR OG1 A0403-ALA O 2.79 SM 4 5.83 147.2 1.90 134.9 143.7 447
A0408-ARG N A0404-GLU O 3.15 MM 4 6.24 148.0 2.25 142.8 149.9 448
A0408-ARG NH1 A0404-GLU O 3.15 SM 4 6.24 149.8 2.25 100.9 94.1 449
A0408-ARG N A0405-ASP O 3.13 MM 3 5.20 123.2 2.47 95.6 109.5 450
A0409-ARG N A0405-ASP O 3.02 MM 4 6.24 129.5 2.29 139.0 152.9 451
A0409-ARG N A0406-ILE O 2.45 MM 3 4.80 133.2 1.65 115.9 132.0 452
A0410-MET N A0406-ILE O 2.90 MM 4 5.92 140.3 2.06 157.2 164.8 453
A0412-TYR N A0409-ARG O 3.12 MM 3 6.00 167.8 2.14 130.8 133.7 454
A0413-ALA N A0410-MET O 3.01 MM 3 4.90 161.5 2.05 109.6 114.2 455
A0424-GLU N A0422-TRP O 2.92 MM 2 5.74 140.7 2.08 102.3 93.5 456
A0482-ARG N A0427-VAL O 3.30 MM 55 5.57 159.6 2.34 138.5 144.3 457
A0482-ARG NH1 A0428-GLU OE2 3.28 SS 54 6.56 137.2 2.48 127.3 136.8 458
A0433-ARG N A0429-ASN O 2.90 MM 4 6.08 152.6 1.97 166.1 173.4 459
A0432-GLU N A0429-ASN OD1 3.36 MS 3 5.39 174.6 2.36 105.0 106.3 460
A0434-VAL N A0431-ASP O 2.72 MM 3 5.10 121.3 2.06 106.5 121.5 461
A0435-VAL N A0431-ASP O 3.06 MM 4 6.56 149.9 2.15 145.0 153.9 462
A0436-ILE N A0432-GLU O 2.96 MM 4 6.32 152.8 2.04 150.8 154.4 463
A0436-ILE N A0433-ARG O 2.87 MM 3 5.10 109.5 2.38 99.0 114.8 464
A0437-GLN N A0433-ARG O 3.29 MM 4 6.71 140.1 2.46 138.8 149.5 465
A0433-ARG NH2 A0482-ARG O 2.93 SM 49 10.25 113.9 2.38 148.0 163.6 466
A0433-ARG NH2 A0484-SER OG 3.07 SS 51 9.59 165.5 2.09 102.1 106.7 467
A0437-GLN N A0434-VAL O 2.50 MM 3 4.90 125.4 1.79 106.3 123.5 468
A0438-HIS N A0434-VAL O 3.12 MM 4 6.63 130.4 2.37 135.6 149.8 469
A0438-HIS N A0435-VAL O 2.51 MM 3 4.80 120.8 1.84 110.8 128.6 470
A0439-ASN N A0435-VAL O 3.17 MM 4 6.40 157.9 2.22 167.1 173.9 471
A0440-TRP N A0436-ILE O 3.27 MM 4 6.48 166.4 2.29 155.3 157.0 472
A0441-HIS N A0437-GLN O 3.37 MM 4 6.63 169.1 2.38 156.1 156.6 473
A0442-GLU N A0438-HIS O 2.72 MM 4 6.00 147.4 1.82 143.2 154.5 474
A0443-LEU N A0439-ASN O 2.87 MM 4 5.92 159.0 1.92 155.1 156.9 475
A0443-LEU N A0440-TRP O 3.02 MM 3 5.20 114.6 2.47 101.9 116.7 476
A0444-ARG N A0440-TRP O 3.04 MM 4 6.32 166.6 2.06 169.2 167.2 477
A0440-TRP NE1 A0489-GLU OE1 2.88 SS 49 8.54 145.4 2.00 118.4 116.5 478
A0445-LEU N A0441-HIS O 3.04 MM 4 6.08 138.6 2.22 149.0 158.9 479
A0445-LEU N A0442-GLU O 3.24 MM 3 5.20 134.4 2.46 95.2 107.3 480
A0446-PHE N A0442-GLU O 3.18 MM 4 6.40 163.8 2.20 158.1 158.6 481
A0446-PHE N A0443-LEU O 3.00 MM 3 5.48 112.6 2.47 114.0 128.5 482
A0447-MET N A0443-LEU O 2.94 MM 4 6.08 167.7 1.96 171.1 175.0 483
A0448-TRP N A0445-LEU O 3.10 MM 3 5.29 129.9 2.36 98.5 111.0 484
A0449-ASP N A0445-LEU O 3.19 MM 4 6.56 152.6 2.27 144.8 151.2 485
A0450-TYR N A0446-PHE O 2.63 MM 4 5.57 151.3 1.70 161.0 167.4 486
A0451-VAL N A0447-MET O 2.85 MM 4 4.90 147.8 1.96 137.7 136.6 487
A0459-ARG NH1 A0449-ASP O 3.02 SM 10 7.94 161.0 2.06 146.0 142.8 488
A0816-HOH O A0449-ASP O 2.96 HM -2 -1.00 -1.0 -1.00 -1.0 106.1 489
A0455-ARG NH2 A0451-VAL O 2.99 SM 4 6.16 124.9 2.30 118.3 117.1 490
A0452-GLY N A0816-HOH O 2.90 MH -2 -1.00 172.2 1.90 -1.0 -1.0 491
A0455-ARG NE A0452-GLY O 2.63 SM 3 6.16 129.8 1.88 128.3 145.1 492
A0814-HOH O A0452-GLY O 3.16 HM -2 -1.00 -1.0 -1.00 -1.0 154.9 493
A0814-HOH O A0453-ILE O 3.49 HM -2 -1.00 -1.0 -1.00 -1.0 109.1 494
A0816-HOH O A0454-VAL O 2.81 HM -2 -1.00 -1.0 -1.00 -1.0 148.3 495
A0455-ARG N A0515-PHE O 2.98 MM 60 5.92 122.5 2.32 135.7 152.0 496
A0517-LEU N A0455-ARG O 2.81 MM 62 6.08 149.4 1.90 175.2 165.0 497
A0460-LEU N A0456-THR O 3.01 MM 4 6.24 164.1 2.03 162.0 164.9 498
A0459-ARG N A0456-THR OG1 2.66 MS 3 5.10 169.4 1.67 153.2 157.0 499
A0457-THR N A0518-ASP OD2 2.60 MS 61 6.71 154.5 1.67 143.7 153.0 500
A0460-LEU N A0457-THR O 2.68 MM 3 5.00 110.7 2.16 109.5 128.2 501
A0461-GLU N A0457-THR O 2.88 MM 4 6.24 153.4 1.95 159.3 168.0 502
A0462-ARG N A0458-LYS O 3.17 MM 4 6.40 158.9 2.22 150.0 153.6 503
A0462-ARG N A0459-ARG O 2.98 MM 3 5.00 111.6 2.47 97.9 113.8 504
A0463-ALA N A0459-ARG O 2.96 MM 4 6.24 160.7 2.00 155.0 160.1 505
A0464-LEU N A0460-LEU O 2.93 MM 4 6.16 146.5 2.04 150.2 157.0 506
A0464-LEU N A0461-GLU O 3.08 MM 3 5.20 122.1 2.43 99.2 113.4 507
A0465-ARG N A0461-GLU O 3.03 MM 4 6.08 162.1 2.06 161.7 165.6 508
A0466-ARG N A0462-ARG O 2.99 MM 4 6.24 155.5 2.05 157.3 164.4 509
A0466-ARG NH1 A0462-ARG O 3.27 SM 4 6.24 152.7 2.34 104.9 97.9 510
A0467-ILE N A0463-ALA O 2.91 MM 4 6.08 162.9 1.94 148.1 152.4 511
A0468-THR N A0464-LEU O 2.62 MM 4 5.92 156.6 1.67 149.6 156.0 512
A0468-THR OG1 A0464-LEU O 2.52 SM 4 5.92 175.3 1.52 138.6 139.8 513
A0469-MET N A0465-ARG O 2.91 MM 4 6.16 162.0 1.95 154.3 158.2 514
A0470-LEU N A0466-ARG O 2.94 MM 4 6.08 171.9 1.94 152.8 154.5 515
A0471-GLN N A0467-ILE O 2.84 MM 4 6.16 151.6 1.92 159.8 165.0 516
A0472-GLN N A0468-THR O 2.89 MM 4 6.08 175.7 1.90 166.3 165.2 517
A0473-GLU N A0469-MET O 2.55 MM 4 5.57 160.4 1.58 158.9 165.3 518
A0474-ILE N A0470-LEU O 2.80 MM 4 5.92 138.5 1.97 144.2 154.8 519
A0475-ASP N A0471-GLN O 2.96 MM 4 6.24 163.3 1.99 158.0 157.3 520
A0471-GLN NE2 A0498-GLU OE1 2.86 SS 27 9.33 160.0 1.90 147.4 141.4 521
A0476-GLU N A0472-GLN O 3.23 MM 4 6.32 176.6 2.23 175.4 174.5 522
A0477-TYR N A0473-GLU O 3.17 MM 4 6.16 174.2 2.17 140.4 142.1 523
A0478-TYR N A0474-ILE O 2.81 MM 4 5.10 154.9 1.87 138.4 145.9 524
A0491-ARG NH1 A0478-TYR O 2.37 SM 13 9.22 108.0 1.86 126.0 149.2 525
A0491-ARG NH2 A0478-TYR O 1.93 SM 13 9.22 117.9 1.25 118.5 142.9 526
A0488-LEU N A0484-SER O 2.85 MM 4 5.92 162.4 1.88 152.1 157.8 527
A0488-LEU N A0485-ASN O 2.89 MM 3 5.00 108.1 2.41 106.1 123.8 528
A0489-GLU N A0485-ASN O 2.73 MM 4 5.83 147.0 1.84 159.5 170.9 529
A0486-ASN N A0805-HOH O 3.07 MH -2 -1.00 159.3 2.11 -1.0 -1.0 530
A0490-LEU N A0486-ASN O 2.79 MM 4 5.92 179.1 1.79 160.0 159.8 531
A0491-ARG N A0487-LEU O 2.93 MM 4 6.16 159.8 1.97 153.5 156.8 532
A0492-ASN N A0488-LEU O 3.21 MM 4 6.32 152.7 2.29 141.8 148.9 533
A0492-ASN N A0489-GLU O 2.93 MM 3 5.00 116.7 2.34 102.0 118.1 534
A0493-LEU N A0489-GLU O 2.81 MM 4 6.08 165.4 1.83 166.9 170.1 535
A0494-VAL N A0490-LEU O 3.05 MM 4 5.92 172.0 2.05 145.4 148.0 536
A0495-GLN N A0491-ARG O 2.93 MM 4 6.00 149.3 2.03 139.8 148.6 537
A0495-GLN N A0492-ASN O 3.00 MM 3 4.90 112.3 2.47 95.4 111.9 538
A0496-VAL N A0492-ASN O 2.79 MM 4 6.00 168.9 1.80 173.0 169.1 539
A0497-ALA N A0493-LEU O 2.89 MM 4 5.92 155.1 1.95 151.9 159.5 540
A0498-GLU N A0494-VAL O 3.23 MM 4 6.40 150.3 2.32 144.2 149.2 541
A0495-GLN NE2 A0495-GLN O 3.08 SM 0 -1.00 151.9 2.16 99.9 92.7 542
A0498-GLU N A0495-GLN O 2.91 MM 3 5.39 127.3 2.20 112.4 125.2 543
A0813-HOH O A0495-GLN OE1 2.58 HS -2 -1.00 -1.0 -1.00 -1.0 117.3 544
A0499-LEU N A0496-VAL O 2.93 MM 3 5.10 118.5 2.32 99.8 114.8 545
A0500-ILE N A0496-VAL O 2.96 MM 4 6.24 154.5 2.02 155.2 162.9 546
A0501-VAL N A0497-ALA O 2.92 MM 4 6.08 177.0 1.92 156.1 156.3 547
A0502-ARG N A0498-GLU O 2.83 MM 4 5.92 172.2 1.84 154.6 157.3 548
A0502-ARG NH1 A0498-GLU OE2 3.15 SS 4 5.92 156.3 2.21 140.8 136.2 549
A0811-HOH O A0498-GLU OE2 3.22 HS -2 -1.00 -1.0 -1.00 -1.0 126.8 550
A0503-CYS N A0499-LEU O 2.80 MM 4 5.74 165.4 1.82 139.6 144.7 551
A0503-CYS SG A0499-LEU O 3.27 SM 4 5.74 141.9 2.12 133.9 145.9 552
A0504-ALA N A0500-ILE O 2.80 MM 4 6.00 149.8 1.89 149.4 159.1 553
A0504-ALA N A0501-VAL O 2.87 MM 3 4.80 109.5 2.37 92.2 110.2 554
A0505-MET N A0501-VAL O 2.84 MM 4 6.08 148.8 1.93 162.3 169.2 555
A0506-MET N A0503-CYS O 3.12 MM 3 5.39 150.2 2.21 108.2 117.0 556
A0508-LYS NZ A0505-MET O 2.87 SM 3 7.42 151.3 1.94 171.2 171.0 557
A0509-GLU N A0507-ARG O 2.69 MM 2 5.29 128.8 1.95 91.4 90.1 558
A0507-ARG NH1 A0509-GLU OE2 2.94 SS 2 5.29 148.0 2.04 139.0 147.0 559
A0507-ARG NH1 A0526-SER OG 2.87 SS 19 8.94 108.4 2.39 130.0 145.0 560
A0507-ARG NH1 A0527-GLY O 2.93 SM 20 9.49 136.7 2.12 152.8 166.0 561
A0507-ARG NH2 A0527-GLY O 2.67 SM 20 9.49 152.3 1.74 134.7 144.7 562
A0507-ARG NH2 A0529-SER OG 2.79 SS 22 7.00 124.0 2.11 117.2 128.7 563
A0514-HIS ND1 A0509-GLU O 3.13 SM 5 7.87 133.9 2.35 159.4 171.8 564
A0511-ARG NH2 A0509-GLU OE1 2.68 SS 2 6.16 142.1 1.82 104.7 108.7 565
A0523-LEU N A0509-GLU OE1 2.82 MS 14 6.24 156.9 1.87 142.5 150.5 566
A0511-ARG NE A0509-GLU OE2 2.51 SS 2 6.16 168.1 1.52 110.7 111.5 567
A0526-SER OG A0509-GLU OE2 2.45 SS 17 8.94 165.9 1.47 122.2 123.7 568
A0510-SER N A0521-GLU O 3.11 MM 11 5.66 163.0 2.14 144.0 148.9 569
A0516-THR N A0510-SER OG 2.99 MS 6 5.74 163.7 2.02 150.5 148.1 570
A0510-SER OG A0519-TYR O 2.84 SM 9 5.92 152.1 1.92 122.3 129.4 571
A0511-ARG N A0514-HIS O 2.88 MM 3 5.39 131.0 2.12 145.3 159.8 572
A0514-HIS N A0511-ARG O 2.89 MM 3 5.39 167.1 1.91 128.7 133.0 573
A0814-HOH O A0513-LEU O 2.93 HM -2 -1.00 -1.0 -1.00 -1.0 139.3 574
A0515-PHE N A0814-HOH O 2.92 MH -2 -1.00 156.2 1.97 -1.0 -1.0 575
A0519-TYR N A0516-THR O 3.10 MM 3 5.74 172.7 2.11 131.9 132.2 576
A0518-ASP N A0516-THR OG1 3.03 MS 2 5.29 156.9 2.08 133.7 131.3 577
A0803-HOH O A0518-ASP OD1 3.24 HS -2 -1.00 -1.0 -1.00 -1.0 137.9 578
A0800-FAD N1 A0801-SIN O4 2.80 HH -2 -1.00 -1.0 -1.00 -1.0 126.9 579
A0800-FAD N5 A0801-SIN O4 3.39 HH -2 -1.00 -1.0 -1.00 -1.0 110.0 580
A0800-FAD N10 A0801-SIN O4 2.69 HH -2 -1.00 -1.0 -1.00 -1.0 163.5 581