==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 19-APR-01 1IHM . COMPND 2 MOLECULE: CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NORWALK VIRUS; . AUTHOR B.V.PRASAD,M.E.HARDY,T.DOKLAND,J.BELLA,M.G.ROSSMANN,M.K.ESTE . 1495 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 879 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 395 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 173 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 1 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 24 8 8 9 13 11 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 8 1 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1029 A D 0 0 201 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 166.1 -56.3 6.4 119.8 2 1030 A P - 0 0 123 0, 0.0 2,-0.1 0, 0.0 130,-0.0 -0.351 360.0 -92.2 -70.7 154.8 -52.7 5.1 119.6 3 1031 A L - 0 0 29 1,-0.1 2,-2.2 115,-0.1 117,-0.1 -0.363 31.3-116.0 -67.3 147.6 -50.3 5.5 122.5 4 1032 A A S S+ 0 0 89 115,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.494 82.0 101.9 -82.0 67.9 -48.0 8.5 122.5 5 1033 A M - 0 0 56 -2,-2.2 -2,-0.1 3,-0.0 3,-0.0 -0.994 68.6-124.3-151.2 151.4 -44.9 6.4 122.2 6 1034 A D - 0 0 142 -2,-0.3 -2,-0.0 1,-0.1 129,-0.0 -0.660 49.3 -87.4 -93.4 149.2 -42.4 5.3 119.6 7 1035 A P - 0 0 113 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.320 43.1-136.9 -58.9 135.6 -41.8 1.6 119.0 8 1036 A V - 0 0 33 1,-0.1 70,-0.1 -3,-0.0 128,-0.1 -0.795 19.7-113.6 -98.2 137.8 -39.2 0.1 121.4 9 1037 A A - 0 0 49 -2,-0.4 68,-0.2 1,-0.1 127,-0.1 -0.236 27.0-156.8 -66.5 155.4 -36.6 -2.3 120.1 10 1038 A G > - 0 0 6 66,-0.1 3,-1.6 67,-0.1 4,-0.3 0.251 63.4 -16.3-102.8-130.3 -36.5 -5.9 121.1 11 1039 A S T 3 S+ 0 0 34 174,-0.9 3,-0.4 1,-0.3 4,-0.4 0.719 109.1 90.6 -48.3 -31.2 -33.6 -8.5 121.1 12 1040 A S T 3 S+ 0 0 85 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.671 86.3 52.7 -43.2 -23.6 -31.5 -6.3 118.8 13 1041 A T S X S+ 0 0 51 -3,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.955 108.7 43.6 -80.6 -52.9 -30.0 -4.6 121.8 14 1042 A A G >> S+ 0 0 0 -3,-0.4 4,-1.8 127,-0.4 3,-0.6 0.169 84.1 101.8 -82.7 22.4 -28.8 -7.6 123.8 15 1043 A V G 34 S+ 0 0 73 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.960 84.5 38.9 -73.1 -48.9 -27.3 -9.5 120.9 16 1044 A A G <4 S+ 0 0 45 -3,-0.5 998,-2.7 -4,-0.2 -1,-0.2 0.300 125.1 38.9 -85.5 13.3 -23.6 -8.7 121.4 17 1045 A T T <4 S+ 0 0 2 -3,-0.6 1126,-1.0 996,-0.2 2,-0.2 0.620 95.5 74.9-132.2 -29.8 -23.8 -8.9 125.2 18 1046 A A S < S- 0 0 3 -4,-1.8 993,-0.1 1124,-0.2 3,-0.1 -0.626 77.6-128.5 -85.0 153.0 -26.1 -11.8 126.3 19 1047 A G S S+ 0 0 0 -2,-0.2 992,-2.9 1,-0.2 2,-0.3 0.810 88.8 7.8 -71.2 -31.1 -24.7 -15.2 125.9 20 1048 A Q - 0 0 2 990,-0.2 2,-0.5 -6,-0.1 -1,-0.2 -0.966 59.9-145.8-146.1 158.0 -27.7 -16.5 124.1 21 1049 A V - 0 0 29 -2,-0.3 168,-0.2 -3,-0.1 169,-0.1 -0.989 25.9-162.1-127.7 112.1 -30.9 -14.9 122.6 22 1050 A N B -A 188 0A 0 166,-2.7 166,-2.6 -2,-0.5 2,-0.1 -0.903 3.4-148.4-110.7 120.0 -33.7 -17.4 123.0 23 1051 A P - 0 0 52 0, 0.0 2,-0.2 0, 0.0 164,-0.1 -0.317 14.0-131.8 -75.8 161.9 -36.9 -17.2 120.9 24 1052 A I - 0 0 23 162,-0.4 512,-0.1 160,-0.1 5,-0.0 -0.711 33.1 -79.0-116.0 166.0 -40.3 -18.3 122.1 25 1053 A D >> - 0 0 6 -2,-0.2 3,-2.3 1,-0.2 4,-1.3 -0.455 35.7-139.6 -63.9 119.4 -43.1 -20.4 120.7 26 1054 A P T 34 S+ 0 0 74 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.599 98.9 69.6 -57.3 -12.6 -45.1 -18.2 118.2 27 1055 A W T 34 S+ 0 0 113 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.745 101.9 43.8 -78.8 -21.9 -48.3 -19.7 119.5 28 1056 A I T X4 S+ 0 0 0 -3,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.821 95.9 84.2 -84.8 -34.2 -47.8 -17.8 122.7 29 1057 A I T 3< S+ 0 0 30 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.636 110.7 8.9 -42.3 -28.5 -46.8 -14.8 120.7 30 1058 A N T 3 S+ 0 0 88 -4,-0.4 2,-0.7 -3,-0.3 -1,-0.3 0.317 91.9 114.7-144.0 15.3 -50.4 -13.6 120.1 31 1059 A N < - 0 0 81 -3,-1.1 2,-0.8 -4,-0.3 149,-0.1 -0.802 60.6-137.5 -91.4 118.0 -52.7 -15.7 122.3 32 1060 A F + 0 0 41 -2,-0.7 2,-0.3 149,-0.1 149,-0.2 -0.707 31.1 175.2 -80.7 110.9 -54.3 -13.4 124.9 33 1061 A V E -D 180 0B 35 147,-2.2 147,-2.7 -2,-0.8 2,-0.4 -0.766 39.7 -91.2-115.0 158.0 -54.4 -15.2 128.2 34 1062 A Q E -D 179 0B 62 -2,-0.3 145,-0.3 145,-0.3 4,-0.2 -0.544 45.8-125.8 -70.6 122.4 -55.4 -14.0 131.6 35 1063 A A E > - 0 0 0 143,-1.7 3,-1.0 -2,-0.4 143,-0.2 -0.216 20.1-113.0 -64.4 153.8 -52.4 -12.6 133.4 36 1064 A P E 3 S+ 0 0 22 0, 0.0 442,-1.8 0, 0.0 2,-0.8 0.878 126.0 48.4 -57.6 -33.8 -51.6 -14.0 136.9 37 1065 A Q E 3 S+ 0 0 21 440,-0.2 -2,-0.2 23,-0.2 440,-0.1 -0.445 83.9 137.5 -97.1 55.5 -52.6 -10.6 138.2 38 1066 A G E < + 0 0 0 -3,-1.0 140,-1.4 -2,-0.8 2,-0.3 0.262 42.0 69.1 -91.8 14.0 -55.7 -10.9 136.1 39 1067 A E E +D 177 0B 7 439,-0.7 441,-0.4 138,-0.2 2,-0.3 -0.966 41.4 149.0-138.2 149.8 -58.5 -9.6 138.3 40 1068 A F E -D 176 0B 2 136,-1.6 136,-2.6 -2,-0.3 2,-0.3 -0.947 23.9-140.9-160.0 170.4 -59.8 -6.4 139.8 41 1069 A T E -D 175 0B 6 -2,-0.3 2,-0.4 11,-0.2 134,-0.2 -0.999 2.6-157.6-145.7 145.2 -63.0 -4.8 140.9 42 1070 A I E +D 174 0B 0 132,-2.0 132,-3.3 -2,-0.3 -2,-0.0 -0.971 24.3 160.6-122.0 134.2 -64.6 -1.4 140.9 43 1071 A S > - 0 0 0 -2,-0.4 3,-2.7 130,-0.2 119,-0.2 -0.939 57.3 -96.3-145.9 164.4 -67.5 -0.6 143.3 44 1072 A P T 3 S+ 0 0 45 0, 0.0 129,-0.1 0, 0.0 126,-0.0 0.589 118.8 73.3 -61.8 -8.3 -69.0 2.6 144.6 45 1073 A N T 3 S+ 0 0 74 125,-0.1 2,-0.2 2,-0.1 -3,-0.0 0.672 82.7 86.6 -76.2 -20.1 -66.7 2.1 147.6 46 1074 A N S < S- 0 0 10 -3,-2.7 116,-0.3 4,-0.0 -4,-0.0 -0.501 70.3-148.0 -80.2 151.6 -63.9 3.2 145.3 47 1075 A T > - 0 0 78 -2,-0.2 3,-2.7 114,-0.1 111,-0.3 -0.929 34.8 -87.9-120.3 144.7 -63.0 6.8 144.9 48 1076 A P T 3 S+ 0 0 56 0, 0.0 111,-0.2 0, 0.0 63,-0.1 -0.293 119.2 38.5 -52.1 125.8 -61.7 8.4 141.8 49 1077 A G T 3 S+ 0 0 25 109,-1.7 60,-0.2 1,-0.5 110,-0.1 0.072 81.2 134.0 117.5 -22.3 -57.9 8.1 142.1 50 1078 A D < - 0 0 41 -3,-2.7 108,-1.5 108,-0.1 2,-0.9 -0.356 59.9-123.8 -61.4 136.3 -58.0 4.6 143.6 51 1079 A V E -G 157 0C 56 106,-0.2 106,-0.3 1,-0.2 431,-0.2 -0.781 24.1-173.0 -87.7 108.7 -55.5 2.3 141.9 52 1080 A L E S- 0 0 7 104,-2.2 428,-0.4 -2,-0.9 2,-0.3 0.786 71.4 -13.2 -70.3 -32.1 -57.4 -0.7 140.6 53 1081 A F E -G 156 0C 15 103,-1.1 103,-2.7 -3,-0.1 2,-0.4 -0.937 53.1-153.4-168.2 151.8 -54.2 -2.4 139.6 54 1082 A D E -G 155 0C 60 -2,-0.3 2,-0.3 101,-0.2 101,-0.2 -0.963 20.0-176.1-134.9 110.3 -50.5 -1.7 139.1 55 1083 A L E -G 154 0C 0 99,-2.6 99,-2.5 -2,-0.4 2,-0.4 -0.844 10.4-158.3-108.6 151.6 -48.6 -4.0 136.7 56 1084 A S E -G 153 0C 30 -2,-0.3 97,-0.2 97,-0.3 96,-0.1 -0.995 32.9-100.9-130.8 129.6 -44.9 -3.9 135.9 57 1085 A L + 0 0 2 95,-3.2 94,-0.1 -2,-0.4 3,-0.0 -0.134 68.6 106.3 -51.0 138.5 -43.5 -5.3 132.7 58 1086 A G S > S- 0 0 1 1,-0.1 3,-1.7 93,-0.0 8,-0.1 -0.794 82.5 -85.8 161.9 161.1 -42.0 -8.8 132.9 59 1087 A P G > S+ 0 0 6 0, 0.0 3,-1.6 0, 0.0 7,-0.5 0.674 114.4 79.9 -62.5 -13.9 -42.6 -12.4 132.0 60 1088 A H G 3 S+ 0 0 35 1,-0.3 -23,-0.2 5,-0.2 -3,-0.0 0.402 78.1 71.8 -72.9 0.8 -44.5 -12.7 135.2 61 1089 A L G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.2 119,-0.1 0.454 97.3 50.2 -94.2 -3.5 -47.4 -11.0 133.5 62 1090 A N S <> S- 0 0 0 -3,-1.6 4,-3.5 -27,-0.2 5,-0.2 -0.993 74.4-141.0-138.9 127.9 -48.2 -14.0 131.4 63 1091 A P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.866 104.4 46.5 -52.5 -44.9 -48.7 -17.6 132.8 64 1092 A F H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.979 115.3 45.1 -64.3 -54.1 -46.9 -19.2 129.8 65 1093 A L H > S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.926 111.0 55.9 -54.9 -43.9 -44.0 -16.8 129.9 66 1094 A L H X S+ 0 0 33 -4,-3.5 4,-0.9 -7,-0.5 -1,-0.3 0.910 104.9 51.2 -56.0 -44.8 -43.9 -17.2 133.7 67 1095 A H H >< S+ 0 0 11 -4,-2.2 3,-0.7 1,-0.2 -1,-0.3 0.896 112.2 46.6 -61.4 -38.3 -43.5 -20.9 133.3 68 1096 A L H >X S+ 0 0 8 -4,-2.0 3,-2.9 1,-0.2 4,-0.8 0.812 96.5 74.8 -72.1 -29.0 -40.6 -20.3 130.9 69 1097 A S H >< S+ 0 0 2 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.814 86.7 62.8 -52.2 -33.2 -39.1 -17.8 133.3 70 1098 A Q T << S+ 0 0 14 -4,-0.9 125,-1.0 -3,-0.7 126,-0.4 0.502 105.7 47.3 -73.5 -0.0 -38.0 -20.7 135.4 71 1099 A M T <4 S+ 0 0 0 -3,-2.9 121,-3.8 123,-0.2 2,-0.3 0.566 110.5 45.9-115.4 -19.5 -35.8 -21.8 132.6 72 1100 A Y B << -J 191 0D 8 -4,-0.8 119,-0.2 -3,-0.6 -1,-0.1 -0.889 62.4-147.4-123.1 160.3 -34.1 -18.7 131.4 73 1101 A N S S+ 0 0 5 117,-2.3 72,-2.3 -2,-0.3 2,-0.3 0.448 76.2 34.8-109.1 3.0 -32.3 -16.0 133.4 74 1102 A G E -B 144 0A 0 116,-0.4 115,-2.7 70,-0.3 2,-0.3 -0.939 56.9-174.0-148.2 169.0 -33.0 -12.9 131.3 75 1103 A W E -BC 143 188A 13 68,-2.4 68,-2.0 113,-0.3 2,-0.3 -0.988 7.0-179.0-163.4 156.4 -35.6 -11.3 129.0 76 1104 A V E + C 0 187A 0 111,-2.3 111,-2.9 -2,-0.3 2,-0.2 -0.959 36.2 82.6-156.1 143.6 -36.2 -8.4 126.6 77 1105 A G - 0 0 0 -2,-0.3 2,-0.3 109,-0.3 109,-0.1 -0.751 62.6 -82.2 143.9 169.6 -39.3 -7.4 124.7 78 1106 A N - 0 0 2 -2,-0.2 105,-2.6 105,-0.2 108,-0.4 -0.752 33.9-158.1-108.7 151.9 -42.7 -5.7 124.6 79 1107 A M E -EF 134 182B 2 55,-2.4 55,-1.4 -2,-0.3 2,-0.4 -0.571 11.3-129.4-116.1-173.0 -46.0 -7.2 125.7 80 1108 A R E -EF 133 181B 75 101,-1.6 101,-1.4 53,-0.2 2,-0.3 -0.985 16.8-158.5-145.3 124.6 -49.6 -6.4 125.0 81 1109 A V E -EF 132 180B 1 51,-2.9 51,-2.7 -2,-0.4 2,-0.4 -0.843 5.7-171.4-108.5 146.8 -52.3 -5.9 127.5 82 1110 A R E -EF 131 179B 72 97,-2.9 97,-2.6 -2,-0.3 2,-0.4 -0.998 7.9-161.9-137.7 127.1 -56.1 -6.2 127.1 83 1111 A I E -EF 130 178B 1 47,-2.7 47,-2.4 -2,-0.4 2,-0.4 -0.917 3.0-166.3-117.3 141.2 -58.6 -5.2 129.7 84 1112 A M E - F 0 177B 71 93,-2.4 93,-1.9 -2,-0.4 2,-0.4 -0.953 4.3-162.4-127.0 144.9 -62.3 -6.1 130.1 85 1113 A L E - F 0 176B 13 41,-0.4 2,-1.1 -2,-0.4 91,-0.2 -0.985 10.1-155.9-128.7 127.7 -65.1 -4.7 132.2 86 1114 A A E + F 0 175B 66 89,-2.5 89,-0.8 -2,-0.4 2,-0.1 -0.725 40.7 154.8-100.4 79.9 -68.3 -6.5 133.0 87 1115 A G - 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