==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 16-AUG-06 2DWR . COMPND 2 MOLECULE: OUTER CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ROTAVIRUS A; . AUTHOR H.BLANCHARD . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 44.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 . 0 0.0 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 . 18 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 0 1 1 2 3 1 2 1 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 . 1 0 0 0 1 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 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 64 A M 0 0 87 0, 0.0 2,-1.0 0, 0.0 147,-0.1 0.000 360.0 360.0 360.0 -63.3 26.7 48.6 6.9 2 65 A L - 0 0 48 142,-0.1 2,-0.4 140,-0.1 142,-0.2 -0.703 360.0-171.7 -82.0 99.9 23.6 49.3 4.7 3 66 A D E -A 143 0A 84 140,-2.2 140,-2.5 -2,-1.0 3,-0.2 -0.764 35.6 -13.9 -93.8 139.9 23.9 47.2 1.6 4 67 A G E - 0 0 36 -2,-0.4 138,-0.2 1,-0.3 2,-0.1 -0.794 32.7-131.0 122.7-169.8 21.5 47.7 -1.3 5 68 A P E - 0 0 64 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.381 50.5-173.0 -72.4 146.5 18.9 48.7 -2.5 6 69 A Y E -A 141 0A 101 135,-2.8 135,-2.3 -3,-0.2 3,-0.1 -0.914 22.2-114.5-113.3 143.8 18.1 45.3 -4.0 7 70 A Q - 0 0 122 -2,-0.4 130,-0.1 133,-0.2 132,-0.1 -0.346 47.6 -72.6 -77.1 154.3 15.2 44.8 -6.4 8 71 A P S S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 130,-0.2 -0.141 72.0 140.7 -45.5 132.7 12.2 42.6 -5.5 9 72 A T E -F 137 0B 69 128,-0.6 128,-2.7 130,-0.2 2,-0.4 -0.965 49.2-109.4-163.4 168.9 13.0 38.8 -5.6 10 73 A T E +F 136 0B 81 -2,-0.3 2,-0.3 126,-0.2 126,-0.2 -0.942 52.7 125.7-108.5 137.0 12.5 35.4 -3.9 11 74 A F E -F 135 0B 67 124,-2.2 124,-2.8 -2,-0.4 -2,-0.1 -0.961 57.4-109.1-169.8 169.6 15.4 33.8 -2.0 12 75 A T - 0 0 81 -2,-0.3 122,-0.1 122,-0.3 -2,-0.0 -0.934 39.7-145.3-115.5 108.1 16.2 32.3 1.4 13 76 A P - 0 0 14 0, 0.0 120,-0.1 0, 0.0 3,-0.1 -0.109 19.7-100.4 -66.6 161.2 18.6 34.7 3.3 14 77 A P > - 0 0 78 0, 0.0 3,-0.6 0, 0.0 91,-0.3 -0.389 44.1 -97.2 -73.1 160.7 21.4 33.6 5.6 15 78 A N T 3 S+ 0 0 58 1,-0.2 91,-0.2 89,-0.1 3,-0.1 -0.348 104.5 41.1 -62.8 159.3 20.9 33.7 9.3 16 79 A D T 3 S+ 0 0 74 89,-3.2 130,-2.9 1,-0.2 2,-0.4 0.604 89.1 106.7 77.0 16.8 22.2 36.9 11.1 17 80 A Y E < -B 145 0A 97 -3,-0.6 88,-0.5 88,-0.3 2,-0.4 -0.993 61.6-138.0-127.1 128.3 21.1 39.5 8.6 18 81 A W E -BC 144 104A 0 126,-3.6 126,-2.4 -2,-0.4 2,-0.6 -0.682 12.0-150.4 -74.2 128.6 18.3 41.9 8.9 19 82 A I E -BC 143 103A 3 84,-3.0 84,-2.2 -2,-0.4 2,-0.6 -0.937 13.1-164.6 -95.4 122.6 16.3 42.3 5.7 20 83 A L E -BC 142 102A 0 122,-1.9 122,-2.2 -2,-0.6 2,-0.5 -0.931 5.5-159.9-118.2 105.1 15.0 45.9 5.7 21 84 A I E -BC 141 101A 0 80,-3.1 80,-2.1 -2,-0.6 2,-1.2 -0.763 13.2-149.0 -97.8 124.8 12.2 46.4 3.2 22 85 A N E - C 0 100A 42 118,-2.4 118,-0.4 -2,-0.5 78,-0.2 -0.749 24.5-146.3 -88.1 90.5 11.1 49.8 1.9 23 86 A S + 0 0 2 76,-2.2 6,-0.1 -2,-1.2 116,-0.1 -0.399 25.5 173.2 -65.5 130.5 7.4 49.2 1.3 24 87 A N + 0 0 98 -2,-0.1 2,-0.3 114,-0.1 -1,-0.1 0.075 56.7 47.8-127.2 21.1 6.1 51.1 -1.7 25 88 A T S S- 0 0 61 2,-0.1 113,-0.0 20,-0.0 114,-0.0 -0.910 75.0-120.7-143.2 171.2 2.5 49.9 -2.1 26 89 A N S S+ 0 0 72 -2,-0.3 2,-0.1 19,-0.1 20,-0.1 -0.314 92.0 76.0-105.5 44.3 -0.6 49.2 -0.1 27 90 A G S S- 0 0 21 1,-0.1 17,-2.3 18,-0.1 2,-0.4 -0.211 100.5 -24.6-119.4-142.7 -0.5 45.6 -1.1 28 91 A V E -G 43 0B 21 15,-0.2 15,-0.2 1,-0.2 -1,-0.1 -0.619 48.8-172.7 -77.8 123.7 1.6 42.6 -0.0 29 92 A V E - 0 0 2 13,-3.0 109,-2.4 -2,-0.4 2,-0.3 0.922 65.8 -26.0 -83.5 -51.1 5.0 43.7 1.3 30 93 A Y E -GH 42 137B 1 12,-0.8 12,-2.0 107,-0.2 -1,-0.4 -0.980 51.5-145.3-153.6 162.4 6.5 40.2 1.6 31 94 A E E -GH 41 136B 29 105,-2.2 105,-2.9 -2,-0.3 2,-0.4 -1.000 18.1-175.3-133.7 138.8 5.6 36.6 2.1 32 95 A S E +GH 40 135B 6 8,-2.8 8,-2.8 -2,-0.4 2,-0.3 -0.993 11.7 148.4-139.1 134.1 7.6 34.1 4.0 33 96 A T E -GH 39 134B 13 101,-1.2 101,-2.5 -2,-0.4 6,-0.2 -0.996 39.7-160.0-160.0 153.7 7.3 30.4 4.6 34 97 A N - 0 0 10 4,-1.6 5,-0.1 -2,-0.3 99,-0.1 0.206 51.0-123.6-112.9 8.7 9.0 27.1 5.2 35 98 A N S S+ 0 0 128 3,-0.6 49,-0.1 1,-0.1 4,-0.1 0.629 96.1 63.8 58.2 17.7 5.9 25.1 4.1 36 99 A S S S- 0 0 61 2,-0.2 48,-0.3 93,-0.1 -1,-0.1 0.596 120.9 -14.4-129.5 -62.1 5.8 23.3 7.4 37 100 A D S S+ 0 0 43 1,-0.2 2,-0.4 92,-0.1 46,-0.1 0.283 115.1 69.1-131.1 9.7 5.1 25.4 10.5 38 101 A F + 0 0 2 91,-0.1 -4,-1.6 44,-0.1 -3,-0.6 -0.936 39.5 155.2-145.3 115.2 5.7 29.0 9.5 39 102 A W E +GI 33 81B 5 42,-1.5 42,-1.7 -2,-0.4 2,-0.4 -0.954 11.0 169.0-135.4 116.1 3.8 31.4 7.2 40 103 A T E +GI 32 80B 2 -8,-2.8 -8,-2.8 -2,-0.4 2,-0.4 -0.993 4.0 174.7-127.9 128.3 4.0 35.1 7.5 41 104 A A E -GI 31 79B 0 38,-2.3 38,-3.6 -2,-0.4 2,-0.5 -0.988 17.3-149.5-122.3 137.6 2.7 37.7 5.1 42 105 A V E -GI 30 78B 4 -12,-2.0 -13,-3.0 -2,-0.4 -12,-0.8 -0.928 10.4-166.9-106.7 131.4 2.8 41.4 5.7 43 106 A V E -GI 28 77B 0 34,-1.8 34,-2.6 -2,-0.5 2,-0.5 -0.935 14.0-136.5-115.5 142.0 0.1 43.7 4.2 44 107 A A E - I 0 76B 0 -17,-2.3 2,-0.5 -2,-0.4 32,-0.2 -0.838 13.0-165.8-104.2 130.4 0.4 47.5 4.1 45 108 A I E - I 0 75B 0 30,-2.9 30,-2.4 -2,-0.5 3,-0.1 -0.962 18.3-134.0-118.3 118.8 -2.5 49.8 4.9 46 109 A E - 0 0 49 -2,-0.5 3,-0.1 28,-0.2 27,-0.1 -0.121 42.0 -75.4 -60.8 159.0 -2.2 53.5 4.0 47 110 A P S S+ 0 0 36 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.134 107.0 18.9 -54.3 152.8 -3.2 56.2 6.5 48 111 A H S S+ 0 0 117 23,-1.8 2,-0.5 25,-0.2 22,-0.2 0.927 74.5 158.2 54.0 68.2 -6.9 57.0 7.3 49 112 A V E -L 69 0C 14 20,-2.5 20,-2.7 -3,-0.1 -1,-0.2 -0.977 33.1-140.4-124.1 117.0 -8.8 53.9 6.1 50 113 A N E - 0 0 142 -2,-0.5 17,-0.1 18,-0.2 20,-0.0 -0.437 51.7 -69.3 -66.2 146.8 -12.2 53.1 7.4 51 114 A P E S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.095 74.9 155.4 -37.6 127.3 -12.9 49.4 8.1 52 115 A V E -L 67 0C 58 15,-2.1 15,-3.0 -3,-0.1 2,-0.4 -0.976 44.7-113.9-159.6 146.0 -13.1 47.7 4.7 53 116 A D E -L 66 0C 86 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.757 36.2-178.5 -85.4 133.2 -12.6 44.2 3.2 54 117 A R E -L 65 0C 60 11,-2.1 11,-2.4 -2,-0.4 2,-0.4 -0.984 21.9-127.3-133.1 144.2 -9.6 44.0 0.8 55 118 A Q E -L 64 0C 105 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.751 26.4-179.2 -93.3 136.8 -8.3 41.0 -1.3 56 119 A Y E -L 63 0C 11 7,-2.9 7,-3.2 -2,-0.4 2,-0.7 -0.998 23.5-140.4-134.7 138.0 -4.7 39.9 -1.1 57 120 A T E +L 62 0C 76 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.894 33.4 164.3 -94.2 114.5 -2.8 37.1 -2.9 58 121 A I E > -L 61 0C 0 3,-2.4 3,-1.6 -2,-0.7 -17,-0.1 -0.999 67.8 -4.9-132.6 129.9 -0.4 35.4 -0.4 59 122 A F T 3 S- 0 0 43 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.823 130.2 -58.2 57.6 34.3 1.2 32.0 -1.0 60 123 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.600 115.3 116.8 73.5 13.2 -0.8 31.7 -4.2 61 124 A E E < -L 58 0C 62 -3,-1.6 -3,-2.4 2,-0.0 2,-0.6 -0.933 64.1-131.5-117.1 136.4 -4.1 32.0 -2.2 62 125 A S E -L 57 0C 83 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.744 33.1-178.1 -85.5 120.7 -6.7 34.7 -2.5 63 126 A K E -L 56 0C 33 -7,-3.2 -7,-2.9 -2,-0.6 2,-0.5 -0.925 22.2-149.4-121.2 146.0 -7.6 36.1 0.9 64 127 A Q E -L 55 0C 141 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.974 20.8-176.7-108.9 123.8 -10.1 38.7 2.1 65 128 A F E -L 54 0C 25 -11,-2.4 -11,-2.1 -2,-0.5 2,-0.5 -0.964 28.1-127.2-118.0 138.5 -9.1 40.6 5.3 66 129 A N E -L 53 0C 103 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.755 42.9-177.6 -81.4 127.4 -11.1 43.2 7.1 67 130 A V E +L 52 0C 4 -15,-3.0 -15,-2.1 -2,-0.5 2,-0.3 -0.934 17.2 165.1-139.3 140.6 -8.7 46.1 7.4 68 131 A S E - 0 0 57 -2,-0.3 2,-0.2 -17,-0.2 -18,-0.2 -0.972 14.1-168.5-152.1 162.6 -8.6 49.6 8.9 69 132 A N E +L 49 0C 0 -20,-2.7 -20,-2.5 -2,-0.3 -21,-0.1 -0.723 9.4 173.4-158.1 101.0 -6.2 52.4 9.8 70 133 A D + 0 0 149 -22,-0.2 -20,-0.1 -2,-0.2 -1,-0.0 0.499 57.0 96.4 -87.2 -1.6 -7.2 55.4 12.0 71 134 A S S S- 0 0 18 2,-0.2 -23,-1.8 -25,-0.1 4,-0.1 -0.230 79.4-127.0 -86.9 167.5 -3.6 56.7 12.2 72 135 A N S S+ 0 0 132 -25,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.477 94.6 70.8 -81.7 -8.6 -1.6 59.3 10.2 73 136 A K S S- 0 0 43 -27,-0.1 24,-0.2 1,-0.1 -25,-0.2 -0.555 93.9 -92.6-107.5 168.8 0.9 56.6 9.7 74 137 A W E - J 0 96B 42 22,-2.8 22,-2.8 -2,-0.2 2,-0.5 -0.538 33.5-144.3 -76.5 146.0 1.1 53.4 7.7 75 138 A K E -IJ 45 95B 40 -30,-2.4 -30,-2.9 20,-0.2 2,-0.6 -0.976 8.8-163.5-113.5 126.7 0.0 50.1 9.3 76 139 A F E -IJ 44 94B 5 18,-2.8 18,-2.7 -2,-0.5 2,-0.6 -0.951 10.0-156.4-110.5 120.2 1.9 46.9 8.5 77 140 A L E -IJ 43 93B 17 -34,-2.6 -34,-1.8 -2,-0.6 2,-0.8 -0.858 8.1-147.5-101.6 119.7 -0.0 43.8 9.5 78 141 A E E -IJ 42 92B 11 14,-3.0 13,-2.0 -2,-0.6 14,-1.0 -0.801 15.6-163.0 -79.5 112.3 1.8 40.5 10.1 79 142 A M E -IJ 41 90B 11 -38,-3.6 -38,-2.3 -2,-0.8 2,-0.3 -0.901 17.4-175.7 -96.9 122.1 -0.6 37.8 9.0 80 143 A F E +IJ 40 89B 11 9,-2.8 9,-1.9 -2,-0.6 2,-0.3 -0.910 21.4 169.6-124.9 144.9 0.4 34.4 10.4 81 144 A R E -I 39 0B 7 -42,-1.7 -42,-1.5 -2,-0.3 7,-0.1 -0.973 21.2-156.3-142.1 153.7 -0.5 30.7 10.4 82 145 A S S S+ 0 0 61 -2,-0.3 2,-0.3 1,-0.2 -44,-0.1 0.278 81.4 34.5-107.0 7.1 1.4 27.7 11.7 83 146 A S S > S- 0 0 37 4,-0.1 3,-1.7 -44,-0.1 -1,-0.2 -0.955 77.8-120.2-163.1 141.1 -0.2 25.1 9.4 84 147 A S T 3 S+ 0 0 83 -2,-0.3 -47,-0.1 1,-0.3 -1,-0.0 0.637 112.1 57.0 -61.5 -15.3 -1.5 25.0 5.7 85 148 A Q T 3 S+ 0 0 172 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.005 92.6 86.9-108.9 27.7 -5.0 24.2 7.0 86 149 A N S < S- 0 0 72 -3,-1.7 2,-0.2 0, 0.0 -3,-0.0 -0.845 77.1-117.6-114.0 158.6 -5.4 27.2 9.2 87 150 A E - 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