==== 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 2I2S . COMPND 2 MOLECULE: OUTER CAPSID PROTEIN VP4; . SOURCE 2 ORGANISM_SCIENTIFIC: PORCINE ROTAVIRUS; . AUTHOR H.BLANCHARD . 326 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 43.3 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 29 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 0 0 2 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 2 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 2 3 5 0 8 2 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 . 2 0 0 0 2 2 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 62 A G 0 0 114 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.4 58.3 -3.4 1.7 2 63 A S + 0 0 133 1,-0.2 3,-0.1 3,-0.1 0, 0.0 0.296 360.0 56.3 -94.1 8.1 61.1 -4.8 3.9 3 64 A L S S+ 0 0 36 1,-0.2 2,-0.6 144,-0.1 -1,-0.2 0.740 102.8 51.3-104.8 -32.9 61.2 -1.9 6.4 4 65 A L - 0 0 30 143,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.912 66.7-155.8-118.8 107.2 57.6 -1.7 7.6 5 66 A D E -A 146 0A 97 141,-2.6 141,-2.8 -2,-0.6 3,-0.2 -0.651 53.0 -22.0 -74.2 135.2 55.8 -4.8 8.9 6 67 A G E - 0 0 37 -2,-0.3 139,-0.2 1,-0.3 2,-0.1 -0.812 32.9-126.1 125.0-167.5 52.0 -4.4 8.5 7 68 A P E - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.441 51.1-175.7 -75.9 152.4 49.6 -2.9 8.2 8 69 A Y E -A 144 0A 99 136,-2.5 136,-1.6 -3,-0.2 3,-0.1 -0.890 22.9-115.7-114.3 149.4 47.8 -4.5 11.2 9 70 A Q - 0 0 136 -2,-0.3 131,-0.1 134,-0.2 133,-0.1 -0.290 50.4 -73.3 -70.8 159.8 44.2 -4.0 12.4 10 71 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 131,-0.2 -0.372 74.8 151.3 -48.0 130.4 43.3 -2.5 15.7 11 72 A T E -F 140 0B 66 129,-0.6 129,-2.2 131,-0.2 2,-0.6 -0.984 51.5-107.4-160.4 162.8 44.1 -5.1 18.4 12 73 A T E +F 139 0B 89 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.918 53.9 151.8 -98.6 123.3 45.2 -5.9 21.9 13 74 A F E -F 138 0B 38 125,-2.9 125,-3.3 -2,-0.6 -2,-0.0 -0.977 49.9-131.0-149.8 157.2 48.8 -7.1 22.0 14 75 A N - 0 0 74 -2,-0.3 123,-0.2 123,-0.2 122,-0.1 -0.856 39.8-151.8-109.6 91.7 51.9 -7.2 24.2 15 76 A P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 6,-0.0 -0.162 15.5-108.7 -65.9 155.5 54.6 -6.0 21.7 16 77 A P > - 0 0 80 0, 0.0 3,-0.6 0, 0.0 92,-0.4 -0.442 42.7 -98.2 -74.5 161.9 58.2 -7.0 22.0 17 78 A T T 3 S+ 0 0 50 1,-0.2 92,-0.2 -2,-0.1 132,-0.1 -0.315 101.7 36.6 -77.2 163.0 60.7 -4.4 23.1 18 79 A S T 3 S+ 0 0 41 90,-2.6 131,-2.7 1,-0.2 2,-0.4 0.707 90.8 114.9 64.6 23.4 62.8 -2.3 20.7 19 80 A Y E < -B 148 0A 94 -3,-0.6 89,-0.5 89,-0.4 2,-0.4 -0.991 60.3-138.7-123.8 126.2 60.0 -2.1 18.2 20 81 A W E -B 147 0A 0 127,-3.1 127,-2.1 -2,-0.4 2,-0.9 -0.671 8.8-146.8 -77.5 131.4 58.3 1.1 17.2 21 82 A I E -BC 146 106A 1 85,-3.1 85,-1.2 -2,-0.4 2,-0.7 -0.888 14.7-156.6 -97.7 98.8 54.5 0.9 16.7 22 83 A L E -BC 145 105A 0 123,-1.8 123,-2.3 -2,-0.9 2,-0.3 -0.720 13.4-157.7 -81.3 112.9 53.8 3.4 13.9 23 84 A L E -BC 144 104A 0 81,-3.5 81,-2.1 -2,-0.7 121,-0.2 -0.716 16.9-166.3-100.8 140.9 50.2 4.4 14.3 24 85 A A E -B 143 0A 28 119,-2.7 119,-0.6 -2,-0.3 79,-0.2 -0.661 17.8-176.7-125.4 75.5 48.0 5.8 11.6 25 86 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 117,-0.1 -0.242 13.3-166.2 -71.2 161.2 44.8 7.3 13.2 26 87 A T + 0 0 101 1,-0.3 2,-0.2 2,-0.0 116,-0.0 0.790 63.3 23.7-110.2 -69.6 41.9 8.8 11.3 27 88 A V S S- 0 0 110 1,-0.1 -1,-0.3 21,-0.0 19,-0.1 -0.532 93.5 -78.2 -99.9 166.5 39.5 10.8 13.5 28 89 A E S S+ 0 0 83 -2,-0.2 2,-0.3 -3,-0.1 19,-0.2 -0.281 84.5 69.9 -59.6 145.3 39.9 12.5 16.8 29 90 A G E S-G 46 0B 16 17,-1.5 17,-3.0 29,-0.0 2,-0.5 -0.967 89.0 -12.1 145.6-159.7 39.9 10.3 19.9 30 91 A V E -G 45 0B 27 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.687 47.4-178.0 -79.2 120.3 42.0 7.7 21.7 31 92 A V E - 0 0 4 13,-3.1 110,-2.7 -2,-0.5 111,-0.4 0.889 66.3 -18.0 -79.9 -46.3 44.8 6.4 19.4 32 93 A I E -GH 44 140B 7 12,-1.0 12,-2.5 108,-0.2 -1,-0.3 -0.981 56.0-161.2-164.3 146.7 46.3 3.8 21.8 33 94 A Q E +GH 43 139B 21 106,-1.8 106,-2.8 -2,-0.3 2,-0.3 -0.980 12.2 171.9-136.4 151.2 46.3 2.9 25.5 34 95 A G E -GH 42 138B 8 8,-3.4 8,-3.2 -2,-0.3 2,-0.3 -0.990 4.8-176.6-157.2 154.7 48.6 0.7 27.6 35 96 A T E -GH 41 137B 16 102,-1.5 102,-1.4 -2,-0.3 6,-0.2 -0.996 31.6-151.5-151.9 149.9 49.2 -0.2 31.2 36 97 A N - 0 0 9 4,-1.5 5,-0.1 -2,-0.3 -1,-0.1 0.323 49.7-125.2 -95.7 3.0 51.5 -2.2 33.5 37 98 A N S S+ 0 0 124 3,-0.6 4,-0.1 1,-0.1 -2,-0.0 0.593 94.1 68.0 62.7 16.0 48.5 -2.7 35.9 38 99 A I S S- 0 0 85 2,-0.3 -1,-0.1 93,-0.1 3,-0.1 0.701 119.0 -20.6-124.2 -64.6 50.7 -1.2 38.7 39 100 A D S S+ 0 0 50 1,-0.2 2,-0.3 92,-0.2 47,-0.0 0.147 114.6 70.5-146.0 15.0 51.6 2.5 38.5 40 101 A R + 0 0 45 91,-0.1 -4,-1.5 90,-0.1 -3,-0.6 -0.918 38.7 169.1-145.0 113.5 51.2 3.5 34.8 41 102 A W E +GI 35 84B 28 43,-2.3 43,-1.9 -2,-0.3 2,-0.4 -0.963 26.8 179.6-119.0 107.8 48.0 3.9 32.8 42 103 A L E +GI 34 83B 17 -8,-3.2 -8,-3.4 -2,-0.5 2,-0.3 -0.889 10.9 159.1-121.6 138.4 49.1 5.5 29.6 43 104 A A E -GI 33 82B 2 39,-2.5 39,-3.6 -2,-0.4 2,-0.4 -0.968 28.5-134.8-149.1 163.2 47.2 6.6 26.5 44 105 A T E -GI 32 81B 5 -12,-2.5 -13,-3.1 -2,-0.3 -12,-1.0 -0.994 18.8-164.4-123.7 127.0 47.5 8.9 23.5 45 106 A I E -GI 30 80B 0 35,-2.7 35,-2.5 -2,-0.4 2,-0.4 -0.819 10.1-141.9-107.1 150.6 44.6 11.1 22.4 46 107 A L E -GI 29 79B 0 -17,-3.0 -17,-1.5 -2,-0.3 2,-0.4 -0.942 15.2-170.6-113.4 131.5 44.3 12.9 19.0 47 108 A I E - I 0 78B 0 31,-2.6 31,-3.0 -2,-0.4 3,-0.1 -0.986 19.4-127.0-125.1 132.3 42.8 16.4 18.7 48 109 A E - 0 0 52 -2,-0.4 3,-0.4 29,-0.2 25,-0.1 -0.182 43.3 -79.5 -66.4 161.6 41.9 18.2 15.5 49 110 A P S S+ 0 0 31 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.222 107.0 24.5 -59.1 156.2 43.2 21.7 14.7 50 111 A N S S+ 0 0 96 23,-2.7 2,-0.7 26,-0.2 22,-0.2 0.862 73.2 157.8 57.5 48.8 41.5 24.8 16.2 51 112 A V E -L 71 0C 12 20,-2.1 20,-2.9 -3,-0.4 -1,-0.2 -0.909 29.7-148.9-105.1 111.5 40.0 23.3 19.4 52 113 A Q E - 0 0 172 -2,-0.7 17,-0.1 18,-0.2 20,-0.0 -0.465 47.2 -66.8 -72.8 149.7 39.3 25.9 22.1 53 114 A T E S+ 0 0 86 -2,-0.1 2,-0.3 15,-0.1 17,-0.2 -0.061 76.5 146.4 -43.7 125.9 39.6 24.7 25.7 54 115 A T E -L 69 0C 62 15,-2.0 15,-2.7 -3,-0.1 2,-0.4 -0.982 51.1-105.2-159.9 151.9 36.8 22.2 26.4 55 116 A N E -L 68 0C 64 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.735 39.6-175.8 -80.4 132.7 35.9 19.1 28.3 56 117 A R E -L 67 0C 52 11,-2.6 11,-2.9 -2,-0.4 2,-0.5 -0.983 22.3-128.1-129.6 145.5 35.8 15.9 26.2 57 118 A I E -L 66 0C 93 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.815 26.8-174.2 -94.4 126.0 34.9 12.4 27.1 58 119 A Y E -L 65 0C 5 7,-3.2 7,-2.9 -2,-0.5 2,-1.1 -0.946 28.0-127.3-118.8 141.5 37.4 9.7 26.2 59 120 A N E +L 64 0C 106 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.764 39.5 173.0 -85.5 96.2 36.9 5.9 26.6 60 121 A L E > -L 63 0C 0 3,-2.2 3,-0.9 -2,-1.1 -2,-0.1 -0.946 66.0 -18.9-114.7 117.2 40.1 5.0 28.5 61 122 A F T 3 S- 0 0 58 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.798 128.4 -50.2 56.7 35.4 40.5 1.4 29.7 62 123 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.614 120.1 90.8 85.2 14.1 36.8 0.7 29.4 63 124 A Q E < S-L 60 0C 75 -3,-0.9 -3,-2.2 -5,-0.1 2,-0.4 -0.969 80.6-102.3-135.8 154.4 35.5 3.8 31.3 64 125 A Q E -L 59 0C 121 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.638 38.2-173.0 -74.7 125.1 34.4 7.3 30.4 65 126 A V E -L 58 0C 0 -7,-2.9 -7,-3.2 -2,-0.4 2,-0.6 -0.989 14.1-147.2-124.9 124.4 37.1 9.9 31.3 66 127 A T E -L 57 0C 12 172,-3.7 2,-0.4 -2,-0.4 -9,-0.2 -0.824 22.2-178.6 -95.4 117.8 36.5 13.6 31.0 67 128 A L E -L 56 0C 1 -11,-2.9 -11,-2.6 -2,-0.6 2,-0.8 -0.923 29.2-129.0-119.6 141.6 39.6 15.6 30.1 68 129 A S E +L 55 0C 40 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.810 45.0 169.9 -86.7 112.2 40.1 19.3 29.6 69 130 A V E +L 54 0C 2 -15,-2.7 -15,-2.0 -2,-0.8 2,-0.3 -0.845 18.3 176.4-126.8 157.7 41.8 19.6 26.2 70 131 A E E - 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