==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-FEB-12 4DS0 . COMPND 2 MOLECULE: OUTER CAPSID PROTEIN VP4; . SOURCE 2 ORGANISM_SCIENTIFIC: ROTAVIRUS SP.; . AUTHOR L.HU,S.E.CRAWFORD,R.CZAKO,N.W.CORTES-PENFIELD,D.F.SMITH,J.LE . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 42.3 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.9 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 2 1 2 2 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 62 A G 0 0 123 0, 0.0 2,-0.1 0, 0.0 162,-0.0 0.000 360.0 360.0 360.0 169.1 15.4 16.7 -11.5 2 63 A S - 0 0 49 1,-0.0 2,-0.5 0, 0.0 161,-0.0 -0.378 360.0-147.0 -68.6 145.2 13.2 14.4 -9.4 3 64 A T + 0 0 131 -2,-0.1 2,-0.3 2,-0.0 -1,-0.0 -0.957 24.5 168.5-121.6 114.4 9.7 15.5 -8.6 4 65 A L - 0 0 30 -2,-0.5 2,-1.2 2,-0.2 143,-0.1 -0.851 45.9 -98.8-122.0 157.6 8.3 14.4 -5.2 5 66 A D E S-A 146 0A 86 141,-0.7 141,-2.2 -2,-0.3 3,-0.2 -0.661 80.8 -36.6 -77.0 99.5 5.2 15.4 -3.2 6 67 A G E - 0 0 33 -2,-1.2 -2,-0.2 1,-0.3 139,-0.2 -0.913 19.1-127.5 150.0-171.8 6.8 17.8 -0.8 7 68 A P E - 0 0 65 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.357 50.5-173.4 -78.9 137.5 8.6 19.2 1.1 8 69 A Y E -A 144 0A 91 136,-3.2 136,-1.6 -3,-0.2 3,-0.1 -0.752 28.5-109.0 -88.5 145.1 6.0 19.4 3.8 9 70 A Q - 0 0 128 -2,-0.3 133,-0.1 134,-0.2 134,-0.1 -0.380 48.0 -80.5 -68.8 151.2 6.8 21.3 6.9 10 71 A P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 131,-0.1 -0.211 70.9 140.7 -49.6 138.1 7.4 19.4 10.2 11 72 A T - 0 0 70 131,-0.2 129,-2.3 129,-0.2 2,-0.5 -0.958 53.1-105.4-164.4 175.4 4.1 18.4 11.9 12 73 A T E +F 139 0B 78 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.992 54.3 145.8-112.9 125.0 2.2 15.8 13.8 13 74 A F E -F 138 0B 49 125,-2.3 125,-2.7 -2,-0.5 2,-1.5 -0.976 59.3 -94.4-154.8 165.1 -0.4 14.0 11.7 14 75 A N - 0 0 65 -2,-0.3 123,-0.2 123,-0.2 122,-0.1 -0.706 47.6-142.9 -83.6 87.9 -2.3 10.8 11.0 15 76 A L - 0 0 0 -2,-1.5 121,-0.1 121,-0.5 6,-0.0 -0.350 19.9-119.6 -54.6 122.3 0.0 9.5 8.2 16 77 A P > - 0 0 64 0, 0.0 3,-0.7 0, 0.0 92,-0.4 -0.365 31.4-101.2 -65.6 147.3 -2.3 7.8 5.6 17 78 A I T 3 S+ 0 0 65 1,-0.2 92,-0.2 117,-0.1 3,-0.1 -0.220 101.1 31.4 -61.3 155.3 -1.6 4.1 5.0 18 79 A D T 3 S+ 0 0 62 90,-2.5 131,-2.1 1,-0.2 2,-0.4 0.714 92.7 110.3 68.7 26.5 0.3 3.1 1.8 19 80 A Y E < -B 148 0A 94 -3,-0.7 89,-0.5 89,-0.3 2,-0.4 -0.997 63.6-133.6-129.6 128.5 2.5 6.2 1.6 20 81 A W E -B 147 0A 0 127,-3.2 127,-2.3 -2,-0.4 2,-0.9 -0.667 13.4-148.7 -70.7 128.4 6.2 6.4 2.3 21 82 A M E -BC 146 106A 0 85,-2.9 85,-1.4 -2,-0.4 2,-0.8 -0.916 14.7-162.9 -96.2 103.8 7.0 9.3 4.5 22 83 A L E -BC 145 105A 0 123,-2.3 123,-2.5 -2,-0.9 2,-0.4 -0.841 9.3-156.2 -93.3 110.1 10.5 10.2 3.2 23 84 A I E -BC 144 104A 0 81,-2.6 81,-1.8 -2,-0.8 121,-0.2 -0.751 12.8-168.2-102.3 136.6 12.1 12.4 5.9 24 85 A A - 0 0 22 119,-2.9 119,-0.5 -2,-0.4 79,-0.1 -0.650 12.5-175.1-128.5 72.0 14.9 14.8 5.1 25 86 A P - 0 0 9 0, 0.0 117,-0.1 0, 0.0 3,-0.1 -0.225 21.4-170.0 -68.8 154.4 16.5 16.2 8.3 26 87 A T S S+ 0 0 110 2,-0.1 2,-0.3 1,-0.0 116,-0.0 0.530 72.5 63.5-110.1 -18.8 19.2 18.9 8.4 27 88 A Q S S- 0 0 140 3,-0.1 19,-0.1 1,-0.0 2,-0.1 -0.813 79.7-123.4-108.8 145.6 20.0 18.4 12.1 28 89 A I S S+ 0 0 81 -2,-0.3 2,-0.3 17,-0.1 19,-0.2 -0.309 76.3 45.9 -70.4 168.0 21.4 15.5 14.0 29 90 A G E S+G 46 0B 12 17,-2.7 17,-2.9 -2,-0.1 29,-0.1 -0.669 101.9 18.2 98.0-151.9 19.4 14.1 16.9 30 91 A R E +G 45 0B 86 -2,-0.3 15,-0.2 15,-0.2 -3,-0.1 -0.294 55.8 168.1 -60.7 134.0 15.6 13.4 17.0 31 92 A V E - 0 0 1 13,-2.7 110,-3.2 1,-0.4 111,-0.6 0.763 57.9 -23.9-112.6 -50.7 14.1 13.1 13.5 32 93 A A E -GH 44 140B 0 12,-1.3 12,-2.6 108,-0.2 -1,-0.4 -0.989 50.5-165.1-162.3 159.8 10.6 11.7 14.0 33 94 A E E -GH 43 139B 28 106,-2.8 106,-3.4 -2,-0.3 2,-0.3 -0.961 5.8-179.9-145.1 163.9 8.4 9.6 16.3 34 95 A G E -GH 42 138B 7 8,-2.5 8,-2.8 -2,-0.3 2,-0.3 -0.980 2.6-171.6-157.7 165.4 5.1 7.7 16.2 35 96 A T E -GH 41 137B 26 102,-1.6 102,-0.6 -2,-0.3 6,-0.2 -0.985 32.1-148.5-158.1 150.5 2.9 5.7 18.4 36 97 A N - 0 0 2 4,-1.8 5,-0.1 -2,-0.3 99,-0.1 0.374 52.0-124.3 -91.6 2.1 -0.2 3.5 18.4 37 98 A T S S+ 0 0 99 3,-0.6 50,-0.1 1,-0.1 4,-0.1 0.386 94.4 61.3 72.1 1.7 -0.8 4.8 22.0 38 99 A T S S- 0 0 93 2,-0.3 49,-0.3 93,-0.1 -1,-0.1 0.754 121.1 -14.1-124.7 -51.4 -0.9 1.2 23.4 39 100 A D S S+ 0 0 68 1,-0.2 2,-0.4 92,-0.1 -4,-0.0 0.303 114.5 65.2-146.4 11.4 2.2 -0.9 23.0 40 101 A R + 0 0 64 91,-0.1 -4,-1.8 2,-0.0 -3,-0.6 -0.941 38.9 166.5-142.1 120.6 4.5 0.8 20.5 41 102 A W E -GI 35 84B 14 43,-2.2 43,-2.8 -2,-0.4 2,-0.3 -0.988 23.2-174.4-123.1 114.4 6.3 4.2 20.7 42 103 A F E +GI 34 83B 3 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.3 -0.854 8.0 175.3-117.8 151.9 8.9 4.4 17.9 43 104 A A E -GI 33 82B 0 39,-2.6 39,-3.2 -2,-0.3 2,-0.4 -0.998 18.1-149.0-152.8 141.8 11.5 7.0 17.2 44 105 A C E -GI 32 81B 0 -12,-2.6 -13,-2.7 -2,-0.3 -12,-1.3 -0.966 14.4-170.6-117.3 141.8 14.3 7.6 14.8 45 106 A V E -GI 30 80B 0 35,-1.9 35,-2.5 -2,-0.4 2,-0.5 -0.932 16.9-132.7-126.5 147.0 17.4 9.6 15.7 46 107 A L E -GI 29 79B 0 -17,-2.9 -17,-2.7 -2,-0.3 2,-0.4 -0.903 18.8-169.5-106.7 130.4 20.2 10.8 13.4 47 108 A V E - I 0 78B 0 31,-3.0 31,-2.5 -2,-0.5 3,-0.1 -0.970 17.9-130.1-120.2 133.1 23.9 10.3 14.3 48 109 A E - 0 0 47 -2,-0.4 3,-0.2 29,-0.2 25,-0.1 -0.188 39.8 -80.1 -73.4 167.0 26.8 11.9 12.5 49 110 A P S S+ 0 0 30 0, 0.0 25,-0.2 0, 0.0 -1,-0.2 -0.263 105.6 27.4 -64.8 157.6 29.8 9.9 11.3 50 111 A N S S+ 0 0 125 23,-2.7 2,-0.5 21,-0.4 22,-0.2 0.932 74.5 153.8 61.4 54.4 32.7 9.0 13.6 51 112 A V E -L 71 0C 14 20,-2.4 20,-2.7 -3,-0.2 -1,-0.2 -0.954 35.0-143.8-117.3 113.9 30.9 8.8 16.9 52 113 A Q E - 0 0 168 -2,-0.5 17,-0.2 18,-0.2 20,-0.0 -0.431 50.1 -71.3 -68.4 149.2 32.3 6.5 19.7 53 114 A N E S+ 0 0 95 -2,-0.1 2,-0.3 15,-0.1 17,-0.2 -0.138 76.4 153.1 -46.0 128.3 29.7 4.8 21.8 54 115 A T E -L 69 0C 58 15,-2.2 15,-2.9 -3,-0.1 2,-0.6 -0.987 46.7-111.6-158.6 155.8 28.2 7.5 24.0 55 116 A Q E +L 68 0C 123 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.880 37.0 179.1 -99.3 120.5 25.0 8.4 25.8 56 117 A R E -L 67 0C 65 11,-2.4 11,-2.5 -2,-0.6 2,-0.4 -0.799 25.4-118.3-113.5 161.4 23.1 11.3 24.4 57 118 A E E +L 66 0C 123 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.849 32.4 171.1-103.3 135.7 19.8 12.9 25.5 58 119 A Y E -L 65 0C 16 7,-2.2 7,-3.0 -2,-0.4 2,-0.9 -0.972 35.5-123.0-135.0 150.5 16.7 13.0 23.3 59 120 A V E +L 64 0C 60 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.852 40.8 171.3 -95.7 103.0 13.1 14.0 24.0 60 121 A L E > -L 63 0C 1 3,-2.3 3,-2.0 -2,-0.9 -17,-0.1 -0.956 67.1 -6.2-116.4 131.6 11.1 11.0 23.1 61 122 A D T 3 S- 0 0 36 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.855 131.1 -58.0 50.3 37.7 7.4 10.7 23.9 62 123 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.192 117.8 106.6 87.3 -17.1 7.7 14.0 25.8 63 124 A Q E < S-L 60 0C 120 -3,-2.0 -3,-2.3 1,-0.0 2,-0.6 -0.756 73.2-122.1-103.6 140.5 10.4 12.7 28.2 64 125 A T E -L 59 0C 80 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.690 41.9-178.5 -75.8 118.7 14.1 13.4 28.2 65 126 A V E -L 58 0C 29 -7,-3.0 -7,-2.2 -2,-0.6 2,-0.6 -0.898 26.5-132.7-120.5 150.7 15.7 10.0 27.9 66 127 A Q E +L 57 0C 95 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.910 31.7 176.8-101.7 122.9 19.3 8.9 27.8 67 128 A L E -L 56 0C 16 -11,-2.5 -11,-2.4 -2,-0.6 2,-0.4 -0.982 29.5-122.9-131.3 138.9 20.2 6.5 25.0 68 129 A Q E +L 55 0C 120 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.659 37.1 172.6 -78.0 129.5 23.4 4.9 23.9 69 130 A V E +L 54 0C 1 -15,-2.9 -15,-2.2 -2,-0.4 2,-0.3 -0.958 7.4 171.8-132.0 153.7 24.4 5.7 20.3 70 131 A S E - 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