Документ взят из кэша поисковой машины. Адрес оригинального документа : http://kodomo.cmm.msu.ru/~tregubova/projects/Term_5/1AF2.hb2 Дата изменения: Wed Nov 17 16:58:02 2010 Дата индексирования: Tue Oct 2 18:52:51 2012 Кодировка:

HBPLUS Hydrogen Bond Calculator v 3.15 Nov 17 16:58:01 MSK 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.
1AF2 <- Brookhaven Code "1AF2.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
A0001-MET N A0025-ALA O 2.55 MM 24 4.58 107.4 2.05 153.8 137.4 1
A0002-HIS N A0550-HOH O 2.63 MH -2 -1.00 143.6 1.76 -1.0 -1.0 2
A0005-PHE N A0002-HIS O 3.08 MM 3 5.92 141.8 2.23 137.6 143.0 3
A0002-HIS NE2 A0251-GLY O 2.84 SM 249 7.14 161.5 1.87 115.9 116.2 4
A0006-GLN N A0003-PRO O 3.19 MM 3 5.29 154.4 2.26 104.9 112.6 5
A0006-GLN NE2 A0003-PRO O 3.24 SM 3 5.29 170.8 2.25 158.6 161.4 6
A0004-ARG NH1 A0248-ASN O 2.82 SM 244 11.14 149.6 1.91 138.2 145.1 7
A0004-ARG NH1 A0541-HOH O 3.08 SH -2 -1.00 159.0 2.12 -1.0 -1.0 8
A0004-ARG NH2 A0249-LEU O 2.78 SM 245 10.86 158.3 1.83 123.3 130.6 9
A0004-ARG NH2 A0540-HOH O 2.74 SH -2 -1.00 135.3 1.94 -1.0 -1.0 10
A0009-PHE N A0005-PHE O 2.85 MM 4 5.74 170.7 1.86 174.8 178.0 11
A0010-ALA N A0006-GLN O 3.33 MM 4 6.24 162.0 2.37 136.9 141.6 12
A0007-THR OG1 A0006-GLN OE1 3.05 SS 1 3.74 162.6 2.08 91.9 90.1 13
A0011-GLN N A0008-ALA O 3.04 MM 3 5.39 150.8 2.13 108.9 117.8 14
A0012-LEU N A0009-PHE O 2.91 MM 3 5.29 172.4 1.92 121.7 124.0 15
A0011-GLN NE2 A0011-GLN O 2.97 SM 0 -1.00 142.1 2.12 118.1 106.6 16
A0017-GLN NE2 A0012-LEU O 2.88 SM 5 5.92 135.8 2.07 117.7 128.6 17
A0016-LEU N A0013-ALA O 2.90 MM 3 5.20 127.5 2.18 110.5 125.2 18
A0017-GLN N A0013-ALA O 2.85 MM 4 6.08 161.9 1.89 157.4 163.6 19
A0018-SER N A0014-ASP O 3.01 MM 4 6.16 165.9 2.03 157.8 160.9 20
A0018-SER OG A0014-ASP O 2.92 SM 4 6.16 170.7 1.92 138.5 139.9 21
A0019-ALA N A0015-ASN O 3.16 MM 4 6.24 167.8 2.17 139.7 142.0 22
A0020-LEU N A0016-LEU O 2.88 MM 4 6.00 143.5 2.01 152.1 163.4 23
A0021-GLU N A0017-GLN O 2.83 MM 4 5.74 152.9 1.90 157.0 162.7 24
A0023-ILE N A0020-LEU O 2.71 MM 3 5.20 113.7 2.15 121.0 137.9 25
A0024-LEU N A0020-LEU O 2.88 MM 4 5.92 160.5 1.91 151.0 157.7 26
A0025-ALA N A0022-PRO O 3.24 MM 3 5.10 160.4 2.28 103.0 108.2 27
A0550-HOH O A0024-LEU O 2.92 HM -2 -1.00 -1.0 -1.00 -1.0 130.5 28
A0029-PHE N A0026-ASP O 2.98 MM 3 5.20 134.5 2.19 127.0 121.6 29
A0550-HOH O A0026-ASP O 2.56 HM -2 -1.00 -1.0 -1.00 -1.0 122.0 30
A0028-TYR N A0026-ASP OD1 3.30 MS 2 5.29 165.0 2.33 96.2 91.8 31
A0540-HOH O A0027-LYS O 2.91 HM -2 -1.00 -1.0 -1.00 -1.0 134.9 32
A0540-HOH O A0029-PHE O 2.79 HM -2 -1.00 -1.0 -1.00 -1.0 130.8 33
A0250-LYS NZ A0030-PRO O 3.04 SM 220 4.69 166.0 2.05 132.1 128.0 34
A0086-PHE N A0031-ALA O 2.93 MM 55 5.29 169.3 1.95 142.3 144.6 35
A0033-LEU N A0084-TRP O 2.92 MM 51 5.10 147.9 2.03 144.6 152.4 36
A0084-TRP N A0033-LEU O 2.84 MM 51 5.10 163.3 1.87 156.7 160.9 37
A0034-THR N A0037-GLN OE1 2.85 MS 3 5.10 170.8 1.86 136.4 133.2 38
A0037-GLN N A0034-THR O 2.92 MM 3 5.10 111.6 2.40 106.0 121.7 39
A0038-VAL N A0034-THR O 3.00 MM 4 6.32 149.2 2.10 153.4 163.2 40
A0037-GLN N A0034-THR OG1 3.29 MS 3 5.10 167.0 2.31 133.5 137.4 41
A0034-THR OG1 A0037-GLN OE1 2.80 SS 3 5.10 175.3 1.80 116.9 118.5 42
A0039-SER N A0035-GLY O 2.90 MM 4 6.16 166.2 1.92 160.7 162.4 43
A0039-SER OG A0035-GLY O 3.14 SM 4 6.16 165.0 2.17 131.5 133.9 44
A0040-SER N A0036-GLU O 3.02 MM 4 6.32 161.7 2.05 160.0 163.2 45
A0040-SER OG A0036-GLU O 3.16 SM 4 6.32 174.8 2.17 136.8 137.5 46
A0041-LEU N A0037-GLN O 3.07 MM 4 6.16 153.1 2.15 139.0 146.5 47
A0041-LEU N A0038-VAL O 3.03 MM 3 5.00 114.8 2.47 100.7 116.7 48
A0042-LYS N A0038-VAL O 2.93 MM 4 6.16 156.7 1.99 157.4 164.6 49
A0043-SER N A0039-SER O 2.92 MM 4 6.24 161.4 1.96 159.0 163.0 50
A0043-SER OG A0039-SER O 3.22 SM 4 6.24 168.1 2.23 129.9 131.8 51
A0044-ALA N A0040-SER O 2.90 MM 4 6.08 152.7 1.98 150.6 157.7 52
A0045-THR OG1 A0041-LEU O 2.72 SM 4 6.24 173.2 1.73 145.4 143.0 53
A0045-THR N A0042-LYS O 3.18 MM 3 5.29 148.3 2.29 107.5 116.2 54
A0046-GLY N A0042-LYS O 2.72 MM 4 5.20 161.0 1.76 161.3 163.1 55
A0047-LEU N A0045-THR OG1 3.25 MS 2 5.29 171.8 2.25 109.7 112.0 56
A0052-LEU N A0048-ASP O 2.85 MM 4 5.83 148.7 1.95 158.7 169.2 57
A0051-ALA N A0048-ASP OD1 3.25 MS 3 5.48 153.8 2.33 125.2 132.4 58
A0053-ALA N A0049-GLU O 2.87 MM 4 6.00 171.2 1.87 160.7 162.8 59
A0054-PHE N A0050-ASP O 2.99 MM 4 6.24 165.8 2.02 152.0 154.1 60
A0533-HOH O A0050-ASP O 2.89 HM -2 -1.00 -1.0 -1.00 -1.0 102.6 61
A0078-ARG NH1 A0050-ASP OD1 2.95 SS 28 10.10 143.7 2.08 170.9 165.4 62
A0078-ARG NH2 A0050-ASP OD1 2.90 SS 28 10.10 146.1 2.02 111.9 122.3 63
A0055-ALA N A0051-ALA O 2.95 MM 4 6.00 147.6 2.06 132.8 141.4 64
A0055-ALA N A0052-LEU O 2.87 MM 3 4.90 113.6 2.31 99.2 116.3 65
A0056-LEU N A0052-LEU O 2.89 MM 4 6.16 148.7 1.99 156.5 166.5 66
A0057-LEU N A0053-ALA O 3.16 MM 4 6.32 126.2 2.46 146.6 160.3 67
A0057-LEU N A0054-PHE O 3.31 MM 3 5.29 145.2 2.44 98.7 107.5 68
A0059-LEU N A0056-LEU O 2.86 MM 3 5.57 139.4 2.03 132.1 141.2 69
A0061-ALA N A0057-LEU O 2.96 MM 4 6.08 166.0 1.98 161.4 164.7 70
A0062-ALA N A0058-PRO O 3.06 MM 4 6.00 133.9 2.28 129.9 141.2 71
A0063-CYS N A0060-ALA O 3.06 MM 3 5.57 160.8 2.10 116.0 121.6 72
A0064-ALA N A0061-ALA O 3.09 MM 3 5.39 165.0 2.11 115.8 117.0 73
A0072-ASN ND2 A0061-ALA O 3.12 SM 11 5.39 168.8 2.14 153.0 153.7 74
A0541-HOH O A0063-CYS O 3.26 HM -2 -1.00 -1.0 -1.00 -1.0 99.9 75
A0065-ARG N A0089-ASN O 2.94 MM 24 6.24 155.6 2.00 156.2 161.7 76
A0091-GLU N A0065-ARG O 2.79 MM 26 5.92 140.7 1.94 156.1 168.5 77
A0065-ARG NH2 A0253-ASP OD1 2.83 SS 188 9.95 157.1 1.88 103.0 101.8 78
A0070-ASN N A0066-THR O 3.05 MM 4 5.00 153.7 2.12 139.4 146.3 79
A0066-THR OG1 A0072-ASN OD1 3.27 SS 6 6.48 145.9 2.39 108.5 113.0 80
A0068-LEU N A0091-GLU OE1 2.87 MS 23 6.63 133.5 2.09 154.6 165.0 81
A0069-SER N A0091-GLU OE1 2.94 MS 22 8.25 156.5 2.00 117.5 122.3 82
A0071-PHE N A0069-SER OG 3.17 MS 2 4.90 147.5 2.28 110.0 102.1 83
A0069-SER OG A0091-GLU OE2 2.63 SS 22 8.25 169.7 1.64 119.7 120.3 84
A0070-ASN ND2 A0070-ASN O 2.77 SM 0 -1.00 137.2 1.95 107.1 101.9 85
A0089-ASN ND2 A0071-PHE O 2.83 SM 18 8.72 159.5 1.87 158.6 164.7 86
A0073-VAL N A0089-ASN OD1 2.81 MS 16 5.83 170.0 1.82 131.1 127.7 87
A0074-GLY N A0125-ASN OD1 2.87 MS 51 5.92 153.0 1.94 104.4 113.5 88
A0125-ASN N A0074-GLY O 3.17 MM 51 5.92 144.8 2.30 165.2 169.1 89
A0075-ALA N A0087-GLY O 2.91 MM 12 5.00 157.6 1.96 144.7 143.9 90
A0087-GLY N A0075-ALA O 2.94 MM 12 5.00 118.8 2.32 157.5 151.6 91
A0076-ILE N A0123-THR O 2.89 MM 47 5.20 151.0 1.97 151.1 159.3 92
A0123-THR N A0076-ILE O 3.02 MM 47 5.20 158.7 2.06 146.2 153.1 93
A0077-ALA N A0085-TYR O 2.83 MM 8 5.10 152.3 1.90 155.8 156.0 94
A0085-TYR N A0077-ALA O 2.80 MM 8 5.10 160.1 1.83 149.2 155.8 95
A0078-ARG N A0121-ALA O 2.93 MM 43 5.29 175.5 1.93 152.1 150.7 96
A0120-ALA N A0078-ARG O 2.79 MM 42 5.66 175.3 1.79 171.3 172.0 97
A0078-ARG NH2 A0123-THR OG1 2.99 SS 45 8.06 152.6 2.06 151.5 160.2 98
A0078-ARG NH2 A0533-HOH O 2.72 SH -2 -1.00 105.4 2.28 -1.0 -1.0 99
A0079-GLY N A0083-THR O 2.80 MM 4 5.20 158.4 1.84 170.6 170.5 100
A0082-GLY N A0079-GLY O 3.05 MM 3 5.29 154.3 2.12 105.6 113.3 101
A0080-VAL N A0118-ALA O 3.02 MM 38 5.57 151.3 2.10 151.9 143.7 102
A0081-SER N A0116-GLU OE2 3.03 MS 35 7.07 147.4 2.14 113.1 122.6 103
A0083-THR N A0081-SER OG 2.99 MS 2 5.48 168.4 2.00 129.3 131.2 104
A0081-SER OG A0083-THR OG1 2.85 SS 2 5.48 142.1 1.99 110.5 98.1 105
A0083-THR OG1 A0081-SER OG 2.85 SS 2 5.48 161.8 1.88 129.2 135.5 106
A0081-SER OG A0116-GLU OE1 2.69 SS 35 7.07 179.0 1.69 118.7 119.1 107
A0085-TYR OH A0116-GLU OE1 2.82 SS 31 9.70 178.8 1.82 130.5 130.8 108
A0110-HIS ND1 A0086-PHE O 2.79 SM 24 7.48 172.4 1.79 145.9 147.2 109
A0615-HOH O A0086-PHE O 2.52 HM -2 -1.00 -1.0 -1.00 -1.0 137.0 110
A0088-ALA N A0106-SER OG 2.95 MS 18 5.92 146.6 2.06 109.4 105.3 111
A0106-SER OG A0088-ALA O 3.11 SM 18 5.92 138.3 2.29 120.6 126.0 112
A0090-MET N A0101-VAL O 2.92 MM 11 5.00 156.1 1.98 132.9 138.4 113
A0101-VAL N A0090-MET O 2.96 MM 11 5.00 168.5 1.97 150.2 153.6 114
A0557-HOH O A0091-GLU O 2.88 HM -2 -1.00 -1.0 -1.00 -1.0 160.4 115
A0095-ALA N A0092-PHE O 3.14 MM 3 5.66 163.9 2.16 130.7 132.2 116
A0093-ILE N A0538-HOH O 3.15 MH -2 -1.00 143.6 2.29 -1.0 -1.0 117
A0560-HOH O A0094-GLY O 2.92 HM -2 -1.00 -1.0 -1.00 -1.0 140.0 118
A0099-GLN N A0096-THR O 3.03 MM 3 5.57 166.9 2.05 116.8 120.9 119
A0096-THR OG1 A0564-HOH O 2.53 SH -2 -1.00 152.2 1.60 -1.0 -1.0 120
A0564-HOH O A0096-THR OG1 2.53 HS -2 -1.00 -1.0 -1.00 -1.0 127.2 121
A0100-THR N A0097-MET O 3.23 MM 3 5.48 166.5 2.25 116.8 120.9 122
A0100-THR OG1 A0097-MET O 2.91 SM 3 5.48 157.3 1.96 112.6 120.0 123
A0525-HOH O A0098-GLN O 3.17 HM -2 -1.00 -1.0 -1.00 -1.0 137.4 124
A0562-HOH O A0098-GLN OE1 2.69 HS -2 -1.00 -1.0 -1.00 -1.0 134.0 125
A0241-GLN NE2 A0099-GLN O 2.80 SM 142 7.62 137.3 1.99 133.6 122.5 126
A0563-HOH O A0099-GLN OE1 2.83 HS -2 -1.00 -1.0 -1.00 -1.0 141.0 127
A0564-HOH O A0099-GLN OE1 3.17 HS -2 -1.00 -1.0 -1.00 -1.0 118.4 128
A0099-GLN NE2 A0561-HOH O 2.78 SH -2 -1.00 134.4 1.98 -1.0 -1.0 129
A0525-HOH O A0100-THR O 2.95 HM -2 -1.00 -1.0 -1.00 -1.0 143.7 130
A0102-HIS N A0105-GLN OE1 3.08 MS 3 5.20 163.4 2.11 135.7 140.4 131
A0105-GLN N A0102-HIS O 2.91 MM 3 5.20 119.5 2.29 110.4 125.3 132
A0106-SER N A0102-HIS O 2.95 MM 4 6.16 164.5 1.97 162.2 167.4 133
A0103-ALA N A0295- U O2 2.94 MH -2 -1.00 154.7 2.00 154.9 148.7 134
A0107-ALA N A0103-ALA O 2.91 MM 4 6.16 164.1 1.94 161.1 163.3 135
A0104-GLU N A0104-GLU OE1 2.71 MS 0 -1.00 144.0 1.83 115.0 104.9 136
A0108-ILE N A0104-GLU O 3.09 MM 4 6.16 166.7 2.11 146.4 149.8 137
A0295- U N3 A0104-GLU OE1 2.89 HS -2 -1.00 176.3 1.90 115.2 116.4 138
A0617-HOH O A0104-GLU OE2 2.86 HS -2 -1.00 -1.0 -1.00 -1.0 129.8 139
A0109-SER N A0105-GLN O 2.86 MM 4 5.83 167.6 1.87 152.3 156.4 140
A0109-SER OG A0105-GLN O 2.72 SM 4 5.83 154.3 1.79 140.6 146.5 141
A0105-GLN NE2 A0522-HOH O 2.92 SH -2 -1.00 163.0 1.95 -1.0 -1.0 142
A0110-HIS N A0106-SER O 2.84 MM 4 5.92 160.0 1.88 154.1 159.9 143
A0615-HOH O A0106-SER O 2.59 HM -2 -1.00 -1.0 -1.00 -1.0 95.2 144
A0106-SER OG A0615-HOH O 3.10 SH -2 -1.00 168.4 2.11 -1.0 -1.0 145
A0615-HOH O A0106-SER OG 3.10 HS -2 -1.00 -1.0 -1.00 -1.0 117.9 146
A0111-ALA N A0107-ALA O 3.09 MM 4 6.32 164.4 2.12 151.4 153.9 147
A0112-TRP N A0108-ILE O 2.91 MM 4 6.16 169.6 1.92 156.5 158.3 148
A0113-LEU N A0109-SER O 2.80 MM 4 5.74 171.1 1.80 160.1 162.3 149
A0114-SER N A0110-HIS O 2.89 MM 4 5.92 149.0 1.99 147.0 156.1 150
A0114-SER OG A0110-HIS O 2.72 SM 4 5.92 157.6 1.76 139.0 143.7 151
A0116-GLU N A0111-ALA O 2.92 MM 5 5.10 158.7 1.97 151.1 144.2 152
A0115-GLY N A0112-TRP O 3.01 MM 3 5.10 151.9 2.09 102.1 111.1 153
A0201-ARG NH1 A0112-TRP O 2.93 SM 89 9.75 170.2 1.94 129.3 132.3 154
A0112-TRP NE1 A0566-HOH O 2.82 SH -2 -1.00 158.0 1.87 -1.0 -1.0 155
A0604-HOH O A0116-GLU O 2.69 HM -2 -1.00 -1.0 -1.00 -1.0 130.7 156
A0140-ASN ND2 A0117-LYS O 2.96 SM 23 8.77 163.3 1.99 151.7 157.2 157
A0119-LEU N A0568-HOH O 2.84 MH -2 -1.00 153.6 1.91 -1.0 -1.0 158
A0122-ILE N A0146-ARG O 2.92 MM 24 6.32 145.6 2.04 158.3 165.8 159
A0148-HIS N A0122-ILE O 2.81 MM 26 6.16 135.0 2.01 147.8 160.9 160
A0123-THR OG1 A0533-HOH O 3.08 SH -2 -1.00 171.2 2.08 -1.0 -1.0 161
A0533-HOH O A0123-THR OG1 3.08 HS -2 -1.00 -1.0 -1.00 -1.0 116.0 162
A0124-VAL N A0148-HIS O 3.01 MM 24 6.40 150.8 2.09 168.4 177.5 163
A0539-HOH O A0125-ASN O 3.45 HM -2 -1.00 -1.0 -1.00 -1.0 117.8 164
A0617-HOH O A0126-TYR O 3.46 HM -2 -1.00 -1.0 -1.00 -1.0 98.7 165
A0617-HOH O A0127-THR O 3.03 HM -2 -1.00 -1.0 -1.00 -1.0 113.9 166
A0133-ARG NE A0128-PRO O 2.81 SM 5 6.48 136.9 2.00 119.2 132.4 167
A0133-ARG NH2 A0128-PRO O 2.81 SM 5 6.48 136.9 2.00 153.2 165.2 168
A0129-CYS N A0295- U O4 2.83 MH -2 -1.00 153.9 1.89 153.1 97.4 169
A0132-CYS N A0129-CYS O 3.02 MM 3 5.39 124.4 2.34 108.6 121.6 170
A0133-ARG N A0129-CYS O 3.04 MM 4 6.40 162.2 2.07 157.7 162.7 171
A0134-GLN N A0130-GLY O 2.97 MM 4 6.00 152.4 2.05 139.7 146.6 172
A0135-PHE N A0131-HIS O 2.93 MM 4 6.16 151.2 2.01 138.8 147.4 173
A0131-HIS NE2 A0611-HOH O 3.33 SH -2 -1.00 140.3 2.50 -1.0 -1.0 174
A0611-HOH O A0131-HIS NE2 3.33 HS -2 -1.00 -1.0 -1.00 -1.0 114.7 175
A0136-MET N A0132-CYS O 2.77 MM 4 5.92 169.9 1.78 166.4 165.9 176
A0137-ASN N A0133-ARG O 3.07 MM 4 6.24 140.5 2.23 139.9 149.0 177
A0133-ARG NH1 A0160-TYR O 2.77 SM 27 7.07 148.2 1.87 142.3 133.8 178
A0230-ASN ND2 A0134-GLN O 3.11 SM 96 7.87 166.3 2.13 111.2 108.9 179
A0616-HOH O A0134-GLN O 3.22 HM -2 -1.00 -1.0 -1.00 -1.0 150.3 180
A0517-HOH O A0134-GLN OE1 2.94 HS -2 -1.00 -1.0 -1.00 -1.0 141.1 181
A0134-GLN NE2 A0165-PHE O 2.82 SM 31 7.75 165.0 1.84 128.3 131.3 182
A0134-GLN NE2 A0616-HOH O 3.05 SH -2 -1.00 145.2 2.18 -1.0 -1.0 183
A0138-GLU N A0135-PHE O 2.91 MM 3 5.57 166.8 1.93 128.5 131.7 184
A0139-LEU N A0136-MET O 3.16 MM 3 5.66 163.7 2.19 121.8 126.3 185
A0516-HOH O A0136-MET O 2.81 HM -2 -1.00 -1.0 -1.00 -1.0 132.7 186
A0503-HOH O A0137-ASN O 2.81 HM -2 -1.00 -1.0 -1.00 -1.0 134.2 187
A0176-LEU N A0138-GLU O 3.02 MM 38 5.74 156.9 2.08 139.3 140.0 188
A0231-ALA N A0138-GLU OE1 2.91 MS 93 6.93 138.5 2.09 134.4 122.0 189
A0616-HOH O A0138-GLU OE1 2.91 HS -2 -1.00 -1.0 -1.00 -1.0 153.2 190
A0203-HIS NE2 A0138-GLU OE2 2.93 SS 65 9.85 164.9 1.95 131.1 126.2 191
A0206-TYR OH A0138-GLU OE2 2.89 SS 68 12.00 165.7 1.91 118.9 121.0 192
A0142-GLY N A0139-LEU O 2.96 MM 3 5.39 163.1 1.99 115.6 121.2 193
A0503-HOH O A0139-LEU O 2.81 HM -2 -1.00 -1.0 -1.00 -1.0 151.3 194
A0140-ASN N A0176-LEU O 2.91 MM 36 5.66 140.9 2.07 170.6 158.1 195
A0568-HOH O A0140-ASN OD1 2.62 HS -2 -1.00 -1.0 -1.00 -1.0 173.7 196
A0140-ASN ND2 A0178-ASP OD1 3.33 SS 38 6.40 147.6 2.44 149.5 150.9 197
A0144-ASP N A0141-SER O 3.23 MM 3 5.92 140.0 2.40 146.4 149.3 198
A0141-SER OG A0516-HOH O 2.86 SH -2 -1.00 179.7 1.86 -1.0 -1.0 199
A0516-HOH O A0141-SER OG 2.86 HS -2 -1.00 -1.0 -1.00 -1.0 109.8 200
A0141-SER OG A0568-HOH O 2.73 SH -2 -1.00 168.5 1.75 -1.0 -1.0 201
A0568-HOH O A0141-SER OG 2.73 HS -2 -1.00 -1.0 -1.00 -1.0 102.7 202
A0516-HOH O A0142-GLY O 2.66 HM -2 -1.00 -1.0 -1.00 -1.0 132.4 203
A0158-ARG N A0143-LEU O 2.91 MM 15 4.69 146.2 2.03 144.2 135.5 204
A0158-ARG NH2 A0144-ASP OD1 3.00 SS 14 6.48 172.3 2.01 101.8 102.8 205
A0157-LEU N A0145-LEU O 2.74 MM 12 5.39 126.5 2.03 151.0 168.0 206
A0147-ILE N A0155-HIS O 2.88 MM 8 5.66 163.0 1.91 175.7 174.4 207
A0155-HIS N A0147-ILE O 3.35 MM 8 5.66 155.8 2.42 148.3 154.8 208
A0526-HOH O A0147-ILE O 3.03 HM -2 -1.00 -1.0 -1.00 -1.0 116.0 209
A0152-ARG N A0149-LEU O 3.25 MM 3 5.57 160.3 2.29 120.8 126.7 210
A0152-ARG NH1 A0150-PRO O 3.18 SM 2 5.57 133.5 2.41 129.4 140.0 211
A0152-ARG NH1 A0539-HOH O 2.84 SH -2 -1.00 134.2 2.05 -1.0 -1.0 212
A0153-GLU N A0153-GLU OE1 3.02 MS 0 -1.00 164.9 2.04 98.5 93.6 213
A0526-HOH O A0153-GLU O 2.80 HM -2 -1.00 -1.0 -1.00 -1.0 126.7 214
A0155-HIS NE2 A0153-GLU OE1 3.12 SS 2 6.56 141.6 2.28 106.1 95.1 215
A0159-ASP N A0156-ALA O 3.07 MM 3 5.66 149.8 2.16 112.4 119.7 216
A0160-TYR N A0157-LEU O 2.75 MM 3 5.10 132.0 1.97 113.3 127.1 217
A0161-LEU N A0157-LEU O 2.94 MM 4 6.08 132.2 2.17 154.9 168.4 218
A0160-TYR OH A0526-HOH O 2.97 SH -2 -1.00 146.9 2.08 -1.0 -1.0 219
A0526-HOH O A0160-TYR OH 2.97 HS -2 -1.00 -1.0 -1.00 -1.0 121.0 220
A0168-LYS NZ A0164-ALA O 2.99 SM 4 10.05 140.9 2.13 120.8 123.0 221
A0165-PHE N A0517-HOH O 2.72 MH -2 -1.00 169.1 1.74 -1.0 -1.0 222
A0166-GLY N A0169-ASP OD2 2.82 MS 3 5.74 143.8 1.95 137.0 149.0 223
A0169-ASP N A0166-GLY O 2.96 MM 3 5.74 146.0 2.07 129.8 136.8 224
A0170-LEU N A0167-PRO O 2.91 MM 3 5.29 142.4 2.05 111.2 121.7 225
A0172-ILE N A0167-PRO O 2.95 MM 5 5.00 175.0 1.95 134.5 133.6 226
A0171-GLU N A0168-LYS O 2.94 MM 3 4.69 158.2 1.99 110.9 112.8 227
A0168-LYS NZ A0169-ASP OD2 2.87 SS 1 3.74 122.1 2.20 152.3 136.6 228
A0175-LEU N A0178-ASP OD2 3.08 MS 3 5.57 166.3 2.10 118.9 114.6 229
A0178-ASP N A0175-LEU O 3.04 MM 3 5.57 163.3 2.07 133.9 137.2 230
A0177-MET N A0573-HOH O 2.77 MH -2 -1.00 129.4 2.03 -1.0 -1.0 231
A0604-HOH O A0177-MET O 3.30 HM -2 -1.00 -1.0 -1.00 -1.0 111.9 232
A0573-HOH O A0178-ASP O 2.61 HM -2 -1.00 -1.0 -1.00 -1.0 136.6 233
A0180-GLN N A0605-HOH O 2.79 MH -2 -1.00 166.5 1.81 -1.0 -1.0 234
A0605-HOH O A0180-GLN O 2.98 HM -2 -1.00 -1.0 -1.00 -1.0 119.3 235
A0203-HIS ND1 A0180-GLN OE1 2.79 SS 23 7.28 160.6 1.82 150.9 157.0 236
A0573-HOH O A0180-GLN OE1 3.40 HS -2 -1.00 -1.0 -1.00 -1.0 105.3 237
A0180-GLN NE2 A0506-HOH O 2.91 SH -2 -1.00 148.0 2.01 -1.0 -1.0 238
A0183-GLY N A0181-ASP OD1 3.38 MS 2 5.66 157.7 2.44 117.6 113.6 239
A0182-HIS N A0200-ASN O 2.83 MM 18 4.69 137.5 2.01 121.5 135.2 240
A0182-HIS NE2 A0202-SER O 2.63 SM 20 7.68 147.3 1.73 115.7 127.4 241
A0184-TYR N A0200-ASN OD1 2.78 MS 16 6.24 170.6 1.79 120.4 117.1 242
A0200-ASN ND2 A0184-TYR O 2.90 SM 16 6.24 164.6 1.92 121.9 126.4 243
A0193-GLN NE2 A0186-LEU O 3.17 SM 7 5.00 148.3 2.27 99.1 103.8 244
A0192-SER OG A0189-ASP O 3.22 SM 3 5.48 171.3 2.23 114.6 112.2 245
A0193-GLN N A0189-ASP O 2.90 MM 4 6.00 162.1 1.93 162.0 168.1 246
A0192-SER OG A0189-ASP OD1 2.85 SS 3 5.48 145.5 1.97 118.4 116.3 247
A0191-LEU N A0189-ASP OD2 3.18 MS 2 5.57 141.7 2.34 121.8 115.2 248
A0259-ARG NH1 A0189-ASP OD2 3.02 SS 70 12.17 158.4 2.07 139.2 139.8 249
A0194-ALA N A0190-ALA O 2.94 MM 4 6.08 157.4 1.99 148.2 154.4 250
A0195-ALA N A0191-LEU O 3.00 MM 4 6.24 160.0 2.04 153.4 158.2 251
A0196-ILE N A0192-SER O 2.87 MM 4 6.08 157.2 1.92 153.9 159.1 252
A0197-ALA N A0193-GLN O 2.90 MM 4 6.00 156.4 1.95 149.7 156.3 253
A0198-ALA N A0194-ALA O 3.02 MM 4 6.16 165.9 2.04 147.7 151.3 254
A0199-ALA N A0195-ALA O 2.96 MM 4 6.24 161.2 1.99 152.1 156.7 255
A0200-ASN N A0196-ILE O 2.88 MM 4 6.08 132.9 2.10 141.3 154.6 256
A0200-ASN N A0197-ALA O 2.98 MM 3 4.90 128.2 2.26 97.1 111.6 257
A0201-ARG N A0198-ALA O 3.13 MM 3 5.39 143.3 2.27 107.7 117.4 258
A0226-SER OG A0198-ALA O 2.79 SM 28 4.69 162.1 1.82 107.9 111.9 259
A0202-SER N A0199-ALA O 3.18 MM 3 5.10 166.5 2.20 105.7 109.2 260
A0202-SER OG A0199-ALA O 3.05 SM 3 5.10 145.3 2.18 103.3 112.5 261
A0566-HOH O A0201-ARG O 2.87 HM -2 -1.00 -1.0 -1.00 -1.0 138.0 262
A0211-SER N A0202-SER OG 3.17 MS 9 6.56 144.0 2.30 137.6 136.2 263
A0203-HIS N A0227-TYR O 2.85 MM 24 6.08 153.6 1.92 163.9 166.3 264
A0229-GLU N A0203-HIS O 2.80 MM 26 5.74 176.7 1.80 159.8 160.2 265
A0204-MET N A0506-HOH O 2.84 MH -2 -1.00 151.0 1.92 -1.0 -1.0 266
A0208-LYS N A0204-MET O 2.95 MM 4 5.10 139.1 2.12 151.9 160.6 267
A0206-TYR N A0229-GLU OE1 3.06 MS 23 7.14 137.8 2.25 165.1 172.4 268
A0207-SER N A0229-GLU OE1 3.03 MS 22 8.37 155.1 2.09 119.0 122.2 269
A0209-SER OG A0207-SER O 3.44 SM 2 5.29 158.5 2.49 93.6 97.9 270
A0209-SER N A0207-SER OG 3.27 MS 2 5.29 138.7 2.45 125.3 117.9 271
A0207-SER OG A0229-GLU OE2 2.68 SS 22 8.37 166.6 1.70 121.0 121.6 272
A0511-HOH O A0209-SER O 2.88 HM -2 -1.00 -1.0 -1.00 -1.0 121.0 273
A0575-HOH O A0210-PRO O 2.78 HM -2 -1.00 -1.0 -1.00 -1.0 132.9 274
A0211-SER OG A0511-HOH O 2.82 SH -2 -1.00 177.0 1.82 -1.0 -1.0 275
A0511-HOH O A0211-SER OG 2.82 HS -2 -1.00 -1.0 -1.00 -1.0 108.1 276
A0212-GLY N A0263-ALA O 3.15 MM 51 5.39 144.0 2.29 144.7 152.2 277
A0263-ALA N A0212-GLY O 2.92 MM 51 5.39 162.2 1.95 159.5 164.9 278
A0213-VAL N A0225-GLY O 2.97 MM 12 5.20 148.7 2.07 141.3 151.3 279
A0225-GLY N A0213-VAL O 2.79 MM 12 5.20 148.0 1.90 156.9 162.2 280
A0214-ALA N A0261-VAL O 2.93 MM 47 5.39 151.7 2.01 150.7 159.5 281
A0261-VAL N A0214-ALA O 2.90 MM 47 5.39 153.5 1.98 155.6 162.9 282
A0215-LEU N A0223-PHE O 2.77 MM 8 5.10 155.2 1.83 147.4 155.5 283
A0223-PHE N A0215-LEU O 2.87 MM 8 5.10 152.5 1.94 147.1 155.1 284
A0216-GLU N A0259-ARG O 2.87 MM 43 5.10 171.3 1.88 145.3 147.2 285
A0258-GLN N A0216-GLU O 2.74 MM 42 5.57 173.3 1.75 166.3 164.1 286
A0259-ARG N A0216-GLU O 3.39 MM 43 5.10 153.1 2.47 129.1 136.7 287
A0217-CYS N A0221-ARG O 2.76 MM 4 5.00 157.7 1.81 152.2 159.9 288
A0220-GLY N A0217-CYS O 2.79 MM 3 5.10 165.4 1.82 125.2 126.8 289
A0218-LYS N A0256-ASP O 2.76 MM 38 5.29 138.1 1.93 148.5 161.8 290
A0221-ARG N A0219-ASP OD1 3.04 MS 2 5.74 165.3 2.06 134.7 134.6 291
A0252-TYR OH A0219-ASP OD2 3.10 SS 33 10.39 170.7 2.11 127.7 125.4 292
A0531-HOH O A0219-ASP OD2 3.37 HS -2 -1.00 -1.0 -1.00 -1.0 135.9 293
A0227-TYR OH A0229-GLU OE2 2.64 SS 2 6.48 132.4 1.86 142.9 128.6 294
A0227-TYR OH A0515-HOH O 2.69 SH -2 -1.00 145.5 1.81 -1.0 -1.0 295
A0515-HOH O A0227-TYR OH 2.69 HS -2 -1.00 -1.0 -1.00 -1.0 115.3 296
A0228-ALA N A0237-LEU O 3.08 MM 9 5.10 170.0 2.09 148.7 151.7 297
A0237-LEU N A0228-ALA O 2.85 MM 9 5.10 149.2 1.95 151.0 152.7 298
A0569-HOH O A0229-GLU O 3.04 HM -2 -1.00 -1.0 -1.00 -1.0 110.2 299
A0230-ASN N A0236-THR OG1 2.99 MS 6 4.80 128.7 2.26 153.4 138.4 300
A0233-PHE N A0230-ASN O 2.93 MM 3 4.90 148.6 2.03 110.9 113.5 301
A0232-ALA N A0230-ASN OD1 2.92 MS 2 5.39 154.6 1.99 136.8 135.7 302
A0230-ASN ND2 A0569-HOH O 3.08 SH -2 -1.00 162.3 2.11 -1.0 -1.0 303
A0234-ASN N A0232-ALA O 2.79 MM 2 5.92 124.0 2.11 120.4 104.5 304
A0236-THR N A0233-PHE O 3.04 MM 3 5.74 167.1 2.06 137.7 141.3 305
A0236-THR OG1 A0233-PHE O 2.74 SM 3 5.74 151.1 1.82 133.9 144.0 306
A0611-HOH O A0234-ASN O 2.94 HM -2 -1.00 -1.0 -1.00 -1.0 138.1 307
A0522-HOH O A0236-THR O 2.95 HM -2 -1.00 -1.0 -1.00 -1.0 135.7 308
A0240-LEU N A0613-HOH O 2.88 MH -2 -1.00 166.0 1.90 -1.0 -1.0 309
A0244-LEU N A0240-LEU O 3.00 MM 4 6.24 152.7 2.08 152.8 161.4 310
A0241-GLN N A0241-GLN OE1 2.95 MS 0 -1.00 116.8 2.36 110.0 96.3 311
A0245-ILE N A0241-GLN O 2.82 MM 4 5.92 142.7 1.96 149.7 160.6 312
A0561-HOH O A0241-GLN OE1 3.08 HS -2 -1.00 -1.0 -1.00 -1.0 135.9 313
A0246-LEU N A0242-GLY O 3.06 MM 4 6.40 169.3 2.07 159.0 158.7 314
A0247-LEU N A0243-ALA O 2.89 MM 4 6.08 173.6 1.89 156.6 157.7 315
A0248-ASN N A0244-LEU O 3.11 MM 4 5.92 157.9 2.16 133.0 138.1 316
A0249-LEU N A0245-ILE O 2.89 MM 4 6.08 167.0 1.91 164.5 168.4 317
A0250-LYS N A0246-LEU O 2.96 MM 4 5.92 160.2 2.00 164.2 168.7 318
A0252-TYR N A0247-LEU O 3.03 MM 5 5.39 143.3 2.17 176.3 165.0 319
A0251-GLY N A0248-ASN O 3.04 MM 3 5.39 167.3 2.05 118.8 120.0 320
A0248-ASN ND2 A0541-HOH O 2.76 SH -2 -1.00 135.7 1.96 -1.0 -1.0 321
A0253-ASP N A0256-ASP OD2 3.00 MS 3 5.74 156.0 2.06 135.6 141.8 322
A0256-ASP N A0253-ASP O 2.96 MM 3 5.74 166.1 1.98 133.4 136.7 323
A0254-TYR N A0253-ASP OD1 2.72 MS 1 3.74 127.4 2.00 120.5 105.3 324
A0257-ILE N A0254-TYR O 3.06 MM 3 5.74 178.9 2.06 133.0 133.2 325
A0254-TYR OH A0557-HOH O 2.82 SH -2 -1.00 154.0 1.89 -1.0 -1.0 326
A0557-HOH O A0254-TYR OH 2.82 HS -2 -1.00 -1.0 -1.00 -1.0 105.3 327
A0536-HOH O A0255-PRO O 2.80 HM -2 -1.00 -1.0 -1.00 -1.0 142.6 328
A0536-HOH O A0257-ILE O 3.10 HM -2 -1.00 -1.0 -1.00 -1.0 128.0 329
A0287-SER OG A0258-GLN O 3.20 SM 29 6.86 147.2 2.31 172.5 169.0 330
A0258-GLN NE2 A0536-HOH O 2.58 SH -2 -1.00 132.6 1.79 -1.0 -1.0 331
A0260-ALA N A0287-SER O 3.09 MM 27 6.32 123.7 2.42 146.5 162.0 332
A0289-ASP N A0260-ALA O 3.06 MM 29 6.40 150.5 2.15 141.1 148.4 333
A0262-LEU N A0289-ASP O 2.96 MM 27 6.32 152.4 2.03 148.4 156.5 334
A0291-VAL N A0262-LEU O 2.89 MM 29 6.24 149.5 1.99 148.1 158.2 335
A0264-GLU N A0291-VAL O 3.28 MM 27 6.86 139.4 2.46 148.7 158.9 336
A0293-LEU N A0264-GLU O 2.95 MM 29 5.39 150.2 2.04 115.7 124.7 337
A0272-GLN N A0264-GLU OE1 2.92 MS 8 7.75 176.5 1.92 122.6 121.5 338
A0509-HOH O A0264-GLU OE1 2.72 HS -2 -1.00 -1.0 -1.00 -1.0 135.3 339
A0290-ARG NE A0264-GLU OE2 3.00 SS 26 7.68 113.8 2.46 101.0 118.5 340
A0265-LYS N A0575-HOH O 2.85 MH -2 -1.00 156.8 1.90 -1.0 -1.0 341
A0509-HOH O A0270-LEU O 2.80 HM -2 -1.00 -1.0 -1.00 -1.0 147.5 342
A0518-HOH O A0271-ILE O 2.83 HM -2 -1.00 -1.0 -1.00 -1.0 140.5 343
A0276-THR N A0272-GLN O 2.94 MM 4 5.92 166.7 1.95 167.5 171.6 344
A0276-THR OG1 A0272-GLN O 2.76 SM 4 5.92 167.1 1.77 121.2 123.6 345
A0272-GLN NE2 A0511-HOH O 2.78 SH -2 -1.00 148.1 1.88 -1.0 -1.0 346
A0272-GLN NE2 A0515-HOH O 3.08 SH -2 -1.00 168.0 2.10 -1.0 -1.0 347
A0277-SER N A0273-TRP O 2.94 MM 4 6.16 169.9 1.95 171.0 169.5 348
A0277-SER OG A0273-TRP O 2.71 SM 4 6.16 153.0 1.78 141.1 132.2 349
A0277-SER OG A0274-ASP O 3.38 SM 3 5.39 167.8 2.39 103.4 100.5 350
A0278-ALA N A0274-ASP O 3.02 MM 4 6.00 166.7 2.04 148.0 152.3 351
A0275-ALA N A0518-HOH O 3.00 MH -2 -1.00 139.3 2.17 -1.0 -1.0 352
A0279-THR N A0275-ALA O 3.03 MM 4 6.00 165.6 2.05 145.5 148.7 353
A0279-THR OG1 A0275-ALA O 2.74 SM 4 6.00 174.0 1.75 151.8 153.6 354
A0280-LEU N A0276-THR O 3.02 MM 4 6.08 162.8 2.05 155.9 161.1 355
A0276-THR OG1 A0613-HOH O 2.88 SH -2 -1.00 143.2 2.01 -1.0 -1.0 356
A0613-HOH O A0276-THR OG1 2.88 HS -2 -1.00 -1.0 -1.00 -1.0 134.8 357
A0281-LYS N A0277-SER O 2.84 MM 4 5.92 168.3 1.85 166.0 167.9 358
A0282-ALA N A0278-ALA O 3.14 MM 4 6.24 152.0 2.22 141.9 149.6 359
A0283-LEU N A0279-THR O 3.01 MM 4 6.32 140.8 2.17 143.5 154.4 360
A0279-THR OG1 A0527-HOH O 3.08 SH -2 -1.00 158.3 2.13 -1.0 -1.0 361
A0527-HOH O A0279-THR OG1 3.08 HS -2 -1.00 -1.0 -1.00 -1.0 124.8 362
A0283-LEU N A0280-LEU O 2.94 MM 3 4.90 122.2 2.28 98.8 114.0 363
A0284-GLY N A0280-LEU O 2.93 MM 4 6.16 117.5 2.33 139.0 156.6 364
A0285-CYS N A0280-LEU O 3.01 MM 5 5.20 121.2 2.37 142.5 135.2 365
A0284-GLY N A0281-LYS O 2.99 MM 3 4.80 142.1 2.13 95.7 107.5 366
A0286-HIS ND1 A0284-GLY O 2.75 SM 2 6.24 120.4 2.11 145.2 127.1 367
A0509-HOH O A0511-HOH O 2.75 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 368
A0511-HOH O A0509-HOH O 2.75 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 369
A0509-HOH O A0575-HOH O 2.69 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 370
A0575-HOH O A0509-HOH O 2.69 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 371
A0522-HOH O A0525-HOH O 2.65 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 372
A0525-HOH O A0522-HOH O 2.65 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 373
A0522-HOH O A0611-HOH O 2.86 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 374
A0611-HOH O A0522-HOH O 2.86 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 375
A0527-HOH O A0560-HOH O 2.81 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 376
A0560-HOH O A0527-HOH O 2.81 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 377
A0527-HOH O A0601-HOH O 2.73 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 378
A0601-HOH O A0527-HOH O 2.73 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 379
A0538-HOH O A0557-HOH O 3.04 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 380
A0557-HOH O A0538-HOH O 3.04 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 381
A0542-HOH O A0557-HOH O 3.12 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 382
A0557-HOH O A0542-HOH O 3.12 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 383
A0561-HOH O A0613-HOH O 2.91 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 384
A0613-HOH O A0561-HOH O 2.91 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 385
A0564-HOH O A0601-HOH O 2.97 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 386
A0601-HOH O A0564-HOH O 2.97 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 387
A0566-HOH O A0573-HOH O 2.97 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 388
A0573-HOH O A0566-HOH O 2.97 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 389
A0566-HOH O A0605-HOH O 2.83 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 390
A0605-HOH O A0566-HOH O 2.83 HH -2 -1.00 -1.0 -1.00 -1.0 -1.0 391