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Дата изменения: Thu May 24 23:05:20 2012
Дата индексирования: Tue Oct 2 12:38:02 2012
Кодировка:
REM -------------------------------------------------------------------- 3R1L
REM 3R1L
REM STRIDE: Knowledge-based secondary structure assignment 3R1L
REM Please cite: D.Frishman & P.Argos, Proteins 23, 566-579, 1995 3R1L
REM 3R1L
REM Residue accessible surface area calculation 3R1L
REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 3R1L
REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 3R1L
REM 3R1L
REM ------------------------ General information ----------------------- 3R1L
REM 3R1L
HDR RNA BINDING PROTEIN/RNA 10-MAR-11 3R1L 3R1L
CMP MOL_ID: 1; 3R1L
CMP MOLECULE: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A; 3R1L
CMP CHAIN: A, D; 3R1L
CMP FRAGMENT: RNA BINDING DOMAIN (UNP RESIDUES 1-98); 3R1L
CMP SYNONYM: U1A, U1 SNRNP A, U1-A; 3R1L
CMP ENGINEERED: YES; 3R1L
CMP MUTATION: YES; 3R1L
CMP MOL_ID: 2; 3R1L
CMP MOLECULE: 5'-R(*UP*CP*CP*AP*GP*UP*A)-3'; 3R1L
CMP CHAIN: B, E; 3R1L
CMP ENGINEERED: YES; 3R1L
CMP OTHER_DETAILS: LIGASE SUBSTRATE; 3R1L
CMP MOL_ID: 3; 3R1L
CMP MOLECULE: CLASS I LIGASE RIBOZYME; 3R1L
CMP CHAIN: C, F; 3R1L
CMP ENGINEERED: YES; 3R1L
CMP MUTATION: YES; 3R1L
CMP OTHER_DETAILS: UNLIGATED C47U MUTANT 3R1L
SRC MOL_ID: 1; 3R1L
SRC ORGANISM_SCIENTIFIC: HOMO SAPIENS; 3R1L
SRC ORGANISM_COMMON: HUMAN; 3R1L
SRC ORGANISM_TAXID: 9606; 3R1L
SRC GENE: SNRPA; 3R1L
SRC EXPRESSION_SYSTEM: ESCHERICHIA COLI; 3R1L
SRC EXPRESSION_SYSTEM_TAXID: 469008; 3R1L
SRC EXPRESSION_SYSTEM_STRAIN: BL21(DE3); 3R1L
SRC EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; 3R1L
SRC EXPRESSION_SYSTEM_PLASMID: P11U1ADB; 3R1L
SRC MOL_ID: 2; 3R1L
SRC SYNTHETIC: YES; 3R1L
SRC MOL_ID: 3; 3R1L
SRC SYNTHETIC: YES; 3R1L
SRC OTHER_DETAILS: RNA WAS PREPARED BY IN VITRO TRANSCRIPTION WI 3R1L
SRC RNA POLYMERASE FROM LINEARIZED PLASMID P307HU_C47U 3R1L
AUT D.M.SHECHNER,D.P.BARTEL 3R1L
REM 3R1L
REM -------------------- Secondary structure summary ------------------- 3R1L
REM 3R1L
CHN /data/npidb/pdb/pdb_new/all/pdb3r1l.pdb A 3R1L
REM 3R1L
REM . . . . . 3R1L
SEQ 1 RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVSRSLKMRGQAF 50 3R1L
STR EEEEE TTTT HHHHHHHHHHHHGGG EEEEEE TTTTTTTEE 3R1L
REM 3R1L
REM . . . . 3R1L
SEQ 51 VIFKEVSSATNALRSMQGFPFYDKPMRIQYAKTDSDIIAKMK 92 3R1L
STR EEETTHHHHHHHHHHTTTEEETTEEEEEEETTTT HHHHH 3R1L
REM 3R1L
CHN /data/npidb/pdb/pdb_new/all/pdb3r1l.pdb D 3R1L
REM 3R1L
REM . . . . . 3R1L
SEQ 1 TRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVSRSLKMRGQA 50 3R1L
STR TTEEEEE TTTT HHHHHHHHHHHHGGG EEEEE TTTTTTTE 3R1L
REM 3R1L
REM . . . . 3R1L
SEQ 51 FVIFKEVSSATNALRSMQGFPFYDKPMRIQYAKTDSDIIAKMK 93 3R1L
STR EEEETTHHHHHHHHHHHTTEEETTEEEEEEETTTT HHHHH 3R1L
REM 3R1L
REM 3R1L
REM 3R1L
LOC AlphaHelix LYS 23 A PHE 34 A 3R1L
LOC AlphaHelix VAL 62 A SER 71 A 3R1L
LOC AlphaHelix ASP 92 A LYS 96 A 3R1L
LOC AlphaHelix LYS 23 D PHE 34 D 3R1L
LOC AlphaHelix VAL 62 D MET 72 D 3R1L
LOC AlphaHelix ASP 92 D LYS 96 D 3R1L
LOC 310Helix SER 35 A PHE 37 A 3R1L
LOC 310Helix SER 35 D PHE 37 D 3R1L
LOC Strand THR 11 A ASN 15 A 3R1L
LOC Strand ILE 40 A VAL 45 A 3R1L
LOC Strand ALA 55 A PHE 59 A 3R1L
LOC Strand PHE 75 A PHE 77 A 3R1L
LOC Strand LYS 80 A TYR 86 A 3R1L
LOC Strand THR 11 D ASN 15 D 3R1L
LOC Strand ILE 40 D LEU 44 D 3R1L
LOC Strand ALA 55 D PHE 59 D 3R1L
LOC Strand PHE 75 D PHE 77 D 3R1L
LOC Strand LYS 80 D TYR 86 D 3R1L
LOC TurnI ASN 18 A ILE 21 A 3R1L
LOC TurnI SER 48 A MET 51 A 3R1L
LOC TurnI LEU 49 A ARG 52 A 3R1L
LOC TurnII MET 51 A GLN 54 A 3R1L
LOC TurnVIII PHE 59 A VAL 62 A 3R1L
LOC TurnII MET 72 A PHE 75 A 3R1L
LOC TurnIV PRO 76 A ASP 79 A 3R1L
LOC TurnI' PHE 77 A LYS 80 A 3R1L
LOC TurnVIII ALA 87 A ASP 90 A 3R1L
LOC GammaInv PHE 75 A PHE 77 A 3R1L
LOC TurnVIII ASN 9 D ILE 12 D 3R1L
LOC TurnI ASN 18 D ILE 21 D 3R1L
LOC TurnI SER 48 D MET 51 D 3R1L
LOC TurnIV LEU 49 D ARG 52 D 3R1L
LOC TurnII MET 51 D GLN 54 D 3R1L
LOC TurnVIII PHE 59 D VAL 62 D 3R1L
LOC TurnII MET 72 D PHE 75 D 3R1L
LOC TurnIV PRO 76 D ASP 79 D 3R1L
LOC TurnI' PHE 77 D LYS 80 D 3R1L
LOC TurnVIII ALA 87 D ASP 90 D 3R1L
LOC GammaInv PHE 75 D PHE 77 D 3R1L
REM 3R1L
REM --------------- Detailed secondary structure assignment------------- 3R1L
REM 3R1L
REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 3R1L
ASG ARG A 7 1 C Coil 360.00 144.86 262.1 3R1L
ASG PRO A 8 2 C Coil -44.64 142.00 78.4 3R1L
ASG ASN A 9 3 C Coil -153.50 140.21 10.7 3R1L
ASG HIS A 10 4 C Coil -43.29 -36.69 49.5 3R1L
ASG THR A 11 5 E Strand -105.55 137.23 0.2 3R1L
ASG ILE A 12 6 E Strand -109.07 148.99 0.0 3R1L
ASG TYR A 13 7 E Strand -105.59 127.47 45.9 3R1L
ASG ILE A 14 8 E Strand -126.06 125.66 0.0 3R1L
ASG ASN A 15 9 E Strand -131.38 -169.10 50.1 3R1L
ASG ASN A 16 10 C Coil 63.18 28.46 46.1 3R1L
ASG LEU A 17 11 C Coil -80.32 148.66 0.6 3R1L
ASG ASN A 18 12 T Turn -57.80 121.91 43.2 3R1L
ASG GLU A 19 13 T Turn -85.97 -5.58 107.5 3R1L
ASG LYS A 20 14 T Turn -84.52 -7.48 99.4 3R1L
ASG ILE A 21 15 T Turn -87.86 127.93 29.3 3R1L
ASG LYS A 22 16 C Coil -59.36 151.62 126.2 3R1L
ASG LYS A 23 17 H AlphaHelix -59.99 -46.39 108.5 3R1L
ASG ASP A 24 18 H AlphaHelix -59.18 -49.21 123.9 3R1L
ASG GLU A 25 19 H AlphaHelix -60.89 -52.14 95.0 3R1L
ASG LEU A 26 20 H AlphaHelix -56.91 -37.33 9.4 3R1L
ASG LYS A 27 21 H AlphaHelix -64.44 -49.16 63.7 3R1L
ASG LYS A 28 22 H AlphaHelix -69.95 -34.56 141.3 3R1L
ASG SER A 29 23 H AlphaHelix -66.53 -30.75 29.4 3R1L
ASG LEU A 30 24 H AlphaHelix -77.21 -41.37 0.2 3R1L
ASG HIS A 31 25 H AlphaHelix -65.38 -28.50 87.2 3R1L
ASG ALA A 32 26 H AlphaHelix -75.22 -34.07 71.2 3R1L
ASG ILE A 33 27 H AlphaHelix -92.41 -9.61 32.7 3R1L
ASG PHE A 34 28 H AlphaHelix -108.66 -22.72 0.0 3R1L
ASG SER A 35 29 G 310Helix -56.24 -32.88 45.3 3R1L
ASG ARG A 36 30 G 310Helix -67.35 4.48 173.1 3R1L
ASG PHE A 37 31 G 310Helix -113.09 -11.83 21.3 3R1L
ASG GLY A 38 32 C Coil 152.08 -171.33 28.2 3R1L
ASG GLN A 39 33 C Coil -78.17 136.93 120.7 3R1L
ASG ILE A 40 34 E Strand -119.71 108.45 27.0 3R1L
ASG LEU A 41 35 E Strand -61.27 -50.08 66.3 3R1L
ASG ASP A 42 36 E Strand -162.28 170.58 61.7 3R1L
ASG ILE A 43 37 E Strand -143.34 109.61 9.7 3R1L
ASG LEU A 44 38 E Strand -84.68 129.88 69.9 3R1L
ASG VAL A 45 39 E Strand -145.38 120.12 14.1 3R1L
ASG SER A 46 40 C Coil -121.93 152.33 48.1 3R1L
ASG ARG A 47 41 C Coil -116.75 24.06 111.8 3R1L
ASG SER A 48 42 T Turn -52.54 179.73 59.9 3R1L
ASG LEU A 49 43 T Turn -70.67 -37.22 149.1 3R1L
ASG LYS A 50 44 T Turn -89.78 -32.02 114.5 3R1L
ASG MET A 51 45 T Turn -104.31 4.19 69.4 3R1L
ASG ARG A 52 46 T Turn -75.74 164.47 90.4 3R1L
ASG GLY A 53 47 T Turn 71.10 -3.60 12.0 3R1L
ASG GLN A 54 48 T Turn -123.16 159.54 34.2 3R1L
ASG ALA A 55 49 E Strand -148.11 154.01 0.4 3R1L
ASG PHE A 56 50 E Strand -115.39 133.27 58.1 3R1L
ASG VAL A 57 51 E Strand -123.24 118.59 1.0 3R1L
ASG ILE A 58 52 E Strand -103.02 111.06 0.8 3R1L
ASG PHE A 59 53 E Strand -87.67 153.68 0.0 3R1L
ASG LYS A 60 54 T Turn -80.41 -21.68 95.9 3R1L
ASG GLU A 61 55 T Turn -120.11 137.24 105.8 3R1L
ASG VAL A 62 56 H AlphaHelix -65.40 -30.90 49.1 3R1L
ASG SER A 63 57 H AlphaHelix -69.01 -28.76 84.9 3R1L
ASG SER A 64 58 H AlphaHelix -67.35 -41.86 11.9 3R1L
ASG ALA A 65 59 H AlphaHelix -57.47 -51.74 0.0 3R1L
ASG THR A 66 60 H AlphaHelix -57.04 -48.13 49.2 3R1L
ASG ASN A 67 61 H AlphaHelix -60.06 -42.12 66.6 3R1L
ASG ALA A 68 62 H AlphaHelix -65.85 -45.05 0.0 3R1L
ASG LEU A 69 63 H AlphaHelix -55.33 -43.38 26.1 3R1L
ASG ARG A 70 64 H AlphaHelix -78.17 -47.48 182.6 3R1L
ASG SER A 71 65 H AlphaHelix -92.80 11.47 57.1 3R1L
ASG MET A 72 66 T Turn -128.57 -14.79 11.9 3R1L
ASG GLN A 73 67 T Turn -50.58 123.29 94.0 3R1L
ASG GLY A 74 68 T Turn 86.43 -5.10 17.7 3R1L
ASG PHE A 75 69 E Strand -45.63 132.45 80.7 3R1L
ASG PRO A 76 70 E Strand -68.21 74.32 41.2 3R1L
ASG PHE A 77 71 E Strand -90.05 109.00 9.8 3R1L
ASG TYR A 78 72 T Turn 57.92 44.91 73.1 3R1L
ASG ASP A 79 73 T Turn 69.23 26.27 116.1 3R1L
ASG LYS A 80 74 E Strand -149.16 115.86 62.7 3R1L
ASG PRO A 81 75 E Strand -50.21 136.21 10.2 3R1L
ASG MET A 82 76 E Strand -78.76 148.53 1.4 3R1L
ASG ARG A 83 77 E Strand -120.84 69.64 110.0 3R1L
ASG ILE A 84 78 E Strand -69.67 141.04 0.8 3R1L
ASG GLN A 85 79 E Strand -150.40 173.68 110.8 3R1L
ASG TYR A 86 80 E Strand -83.74 147.48 57.1 3R1L
ASG ALA A 87 81 T Turn -66.49 134.23 10.2 3R1L
ASG LYS A 88 82 T Turn -65.17 -24.40 108.8 3R1L
ASG THR A 89 83 T Turn -137.34 158.68 109.1 3R1L
ASG ASP A 90 84 T Turn -72.15 154.01 94.9 3R1L
ASG SER A 91 85 C Coil -83.02 157.27 20.3 3R1L
ASG ASP A 92 86 H AlphaHelix -56.86 -47.56 140.4 3R1L
ASG ILE A 93 87 H AlphaHelix -53.82 -34.94 85.2 3R1L
ASG ILE A 94 88 H AlphaHelix -84.74 -44.58 12.1 3R1L
ASG ALA A 95 89 H AlphaHelix -57.45 -46.36 62.4 3R1L
ASG LYS A 96 90 H AlphaHelix -85.02 47.92 94.8 3R1L
ASG MET A 97 91 C Coil -151.55 -40.89 127.7 3R1L
ASG LYS A 98 92 C Coil -137.71 360.00 140.5 3R1L
ASG THR D 6 1 C Coil 360.00 114.05 176.7 3R1L
ASG ARG D 7 2 C Coil -97.99 156.88 187.0 3R1L
ASG PRO D 8 3 C Coil -52.99 165.38 68.9 3R1L
ASG ASN D 9 4 T Turn -166.31 143.13 8.0 3R1L
ASG HIS D 10 5 T Turn -52.15 -31.98 44.5 3R1L
ASG THR D 11 6 E Strand -102.88 135.15 0.0 3R1L
ASG ILE D 12 7 E Strand -110.81 142.30 0.0 3R1L
ASG TYR D 13 8 E Strand -102.79 138.87 45.3 3R1L
ASG ILE D 14 9 E Strand -129.14 138.42 0.0 3R1L
ASG ASN D 15 10 E Strand -142.55 179.55 44.1 3R1L
ASG ASN D 16 11 C Coil 67.33 39.47 43.3 3R1L
ASG LEU D 17 12 C Coil -95.47 143.74 0.5 3R1L
ASG ASN D 18 13 T Turn -51.75 108.08 44.2 3R1L
ASG GLU D 19 14 T Turn -74.10 -11.56 113.2 3R1L
ASG LYS D 20 15 T Turn -77.23 -21.76 97.4 3R1L
ASG ILE D 21 16 T Turn -71.54 137.24 29.4 3R1L
ASG LYS D 22 17 C Coil -67.24 147.25 128.2 3R1L
ASG LYS D 23 18 H AlphaHelix -54.90 -33.74 29.4 3R1L
ASG ASP D 24 19 H AlphaHelix -65.65 -58.56 124.9 3R1L
ASG GLU D 25 20 H AlphaHelix -58.78 -47.90 93.2 3R1L
ASG LEU D 26 21 H AlphaHelix -51.40 -42.72 8.8 3R1L
ASG LYS D 27 22 H AlphaHelix -63.76 -50.41 71.9 3R1L
ASG LYS D 28 23 H AlphaHelix -71.35 -39.43 138.2 3R1L
ASG SER D 29 24 H AlphaHelix -59.45 -46.35 26.4 3R1L
ASG LEU D 30 25 H AlphaHelix -59.86 -42.87 0.4 3R1L
ASG HIS D 31 26 H AlphaHelix -64.09 -41.65 83.2 3R1L
ASG ALA D 32 27 H AlphaHelix -58.29 -36.39 72.0 3R1L
ASG ILE D 33 28 H AlphaHelix -94.69 -13.50 35.3 3R1L
ASG PHE D 34 29 H AlphaHelix -106.43 -18.05 0.2 3R1L
ASG SER D 35 30 G 310Helix -54.97 -31.25 43.7 3R1L
ASG ARG D 36 31 G 310Helix -70.87 9.28 174.7 3R1L
ASG PHE D 37 32 G 310Helix -113.36 -18.17 18.5 3R1L
ASG GLY D 38 33 C Coil 158.72 -169.58 30.7 3R1L
ASG GLN D 39 34 C Coil -72.84 136.18 118.6 3R1L
ASG ILE D 40 35 E Strand -117.82 102.17 24.1 3R1L
ASG LEU D 41 36 E Strand -53.98 -52.82 66.9 3R1L
ASG ASP D 42 37 E Strand -163.04 173.28 60.6 3R1L
ASG ILE D 43 38 E Strand -145.09 112.46 9.0 3R1L
ASG LEU D 44 39 E Strand -91.33 131.11 70.8 3R1L
ASG VAL D 45 40 C Coil -143.33 118.51 30.6 3R1L
ASG SER D 46 41 C Coil -117.41 152.80 48.5 3R1L
ASG ARG D 47 42 C Coil -111.87 26.61 110.4 3R1L
ASG SER D 48 43 T Turn -55.24 -175.41 58.5 3R1L
ASG LEU D 49 44 T Turn -75.05 -27.91 145.8 3R1L
ASG LYS D 50 45 T Turn -107.63 -13.66 161.2 3R1L
ASG MET D 51 46 T Turn -117.39 5.96 72.6 3R1L
ASG ARG D 52 47 T Turn -77.92 159.93 96.4 3R1L
ASG GLY D 53 48 T Turn 64.88 15.97 10.1 3R1L
ASG GLN D 54 49 T Turn -135.57 163.50 40.2 3R1L
ASG ALA D 55 50 E Strand -160.35 145.59 0.6 3R1L
ASG PHE D 56 51 E Strand -114.94 115.41 62.3 3R1L
ASG VAL D 57 52 E Strand -103.48 123.92 1.4 3R1L
ASG ILE D 58 53 E Strand -105.48 118.00 0.6 3R1L
ASG PHE D 59 54 E Strand -100.40 152.26 0.0 3R1L
ASG LYS D 60 55 T Turn -73.17 -34.06 96.4 3R1L
ASG GLU D 61 56 T Turn -108.31 141.53 105.6 3R1L
ASG VAL D 62 57 H AlphaHelix -61.85 -46.59 55.4 3R1L
ASG SER D 63 58 H AlphaHelix -58.24 -41.38 82.5 3R1L
ASG SER D 64 59 H AlphaHelix -52.96 -36.50 12.9 3R1L
ASG ALA D 65 60 H AlphaHelix -70.52 -41.80 0.0 3R1L
ASG THR D 66 61 H AlphaHelix -66.80 -44.33 51.1 3R1L
ASG ASN D 67 62 H AlphaHelix -57.31 -43.10 59.3 3R1L
ASG ALA D 68 63 H AlphaHelix -76.10 -28.49 0.0 3R1L
ASG LEU D 69 64 H AlphaHelix -67.02 -48.60 26.5 3R1L
ASG ARG D 70 65 H AlphaHelix -68.56 -46.38 178.7 3R1L
ASG SER D 71 66 H AlphaHelix -88.33 -2.96 54.2 3R1L
ASG MET D 72 67 H AlphaHelix -117.89 -9.61 10.2 3R1L
ASG GLN D 73 68 T Turn -52.25 123.21 93.5 3R1L
ASG GLY D 74 69 T Turn 86.26 -2.67 21.4 3R1L
ASG PHE D 75 70 E Strand -60.81 124.69 84.1 3R1L
ASG PRO D 76 71 E Strand -62.50 81.88 40.6 3R1L
ASG PHE D 77 72 E Strand -89.59 112.21 10.0 3R1L
ASG TYR D 78 73 T Turn 51.64 46.72 76.0 3R1L
ASG ASP D 79 74 T Turn 67.23 43.71 102.4 3R1L
ASG LYS D 80 75 E Strand -162.14 118.11 69.3 3R1L
ASG PRO D 81 76 E Strand -53.58 118.31 15.8 3R1L
ASG MET D 82 77 E Strand -66.26 142.00 1.5 3R1L
ASG ARG D 83 78 E Strand -116.52 97.21 118.7 3R1L
ASG ILE D 84 79 E Strand -93.21 138.09 3.5 3R1L
ASG GLN D 85 80 E Strand -142.52 171.77 108.2 3R1L
ASG TYR D 86 81 E Strand -79.23 145.37 40.4 3R1L
ASG ALA D 87 82 T Turn -70.21 130.07 11.2 3R1L
ASG LYS D 88 83 T Turn -58.67 -37.02 96.9 3R1L
ASG THR D 89 84 T Turn -125.55 160.25 112.7 3R1L
ASG ASP D 90 85 T Turn -70.55 143.36 89.5 3R1L
ASG SER D 91 86 C Coil -71.41 162.99 19.3 3R1L
ASG ASP D 92 87 H AlphaHelix -70.43 -34.51 139.2 3R1L
ASG ILE D 93 88 H AlphaHelix -64.52 -29.10 88.7 3R1L
ASG ILE D 94 89 H AlphaHelix -88.49 -55.61 11.6 3R1L
ASG ALA D 95 90 H AlphaHelix -49.71 -38.71 59.8 3R1L
ASG LYS D 96 91 H AlphaHelix -90.56 47.17 90.0 3R1L
ASG MET D 97 92 C Coil -151.67 -30.88 118.4 3R1L
ASG LYS D 98 93 C Coil -152.02 360.00 141.8 3R1L