==== 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 4DRR . 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) . 8002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 68.7 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 . 71 43.6 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 . 17 10.4 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 1 1 3 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 0.000 360.0 360.0 360.0 169.9 35.2 15.5 10.7 2 63 A S - 0 0 44 161,-0.9 2,-0.6 1,-0.0 161,-0.0 -0.387 360.0-141.2 -66.4 148.5 33.0 13.1 12.6 3 64 A T + 0 0 133 -2,-0.1 2,-0.3 2,-0.0 -1,-0.0 -0.953 28.3 168.3-120.6 113.0 29.4 14.2 13.3 4 65 A L - 0 0 30 -2,-0.6 2,-1.0 2,-0.2 143,-0.1 -0.849 44.6-100.4-121.6 157.3 28.0 13.3 16.7 5 66 A D E S-A 146 0A 85 141,-0.7 141,-2.4 -2,-0.3 3,-0.2 -0.666 79.4 -32.3 -79.0 102.7 25.0 14.3 18.7 6 67 A G E - 0 0 32 -2,-1.0 -2,-0.2 1,-0.3 139,-0.2 -0.922 20.8-131.4 144.3-168.2 26.4 16.8 21.2 7 68 A P E - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.431 49.0-172.0 -73.3 143.8 28.3 18.1 23.0 8 69 A Y E -A 144 0A 87 136,-3.2 136,-1.7 -3,-0.2 3,-0.1 -0.803 25.7-111.5 -95.5 147.3 25.8 18.3 25.8 9 70 A Q - 0 0 120 -2,-0.3 133,-0.1 134,-0.2 131,-0.1 -0.386 47.7 -76.7 -72.9 154.9 26.6 20.3 28.9 10 71 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 131,-0.2 -0.228 74.8 136.8 -48.9 138.3 27.2 18.6 32.2 11 72 A T E -F 140 0B 69 129,-0.6 129,-2.8 131,-0.2 2,-0.5 -0.964 54.1-105.6-167.9 174.9 23.9 17.7 33.7 12 73 A T E +F 139 0B 80 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.990 51.4 146.7-116.6 127.6 21.8 15.0 35.5 13 74 A F E -F 138 0B 50 125,-2.4 125,-2.8 -2,-0.5 2,-1.4 -0.977 58.2 -94.3-154.5 165.9 19.3 13.1 33.4 14 75 A N - 0 0 65 -2,-0.3 123,-0.2 123,-0.2 122,-0.1 -0.716 47.7-142.1 -83.0 88.5 17.5 9.9 32.8 15 76 A L - 0 0 0 -2,-1.4 121,-0.1 121,-0.5 6,-0.0 -0.337 20.7-119.8 -53.4 120.2 19.8 8.5 30.1 16 77 A P > - 0 0 63 0, 0.0 3,-0.8 0, 0.0 92,-0.4 -0.346 29.6-103.8 -65.2 145.9 17.6 6.8 27.5 17 78 A I T 3 S+ 0 0 60 1,-0.2 92,-0.2 117,-0.2 3,-0.1 -0.262 101.5 33.3 -61.7 155.6 18.2 3.1 27.0 18 79 A D T 3 S+ 0 0 65 90,-2.5 131,-1.7 1,-0.2 2,-0.4 0.663 93.3 108.0 71.8 21.2 20.0 2.1 23.8 19 80 A Y E < -B 148 0A 96 -3,-0.8 89,-0.5 89,-0.3 2,-0.4 -0.997 64.6-133.1-127.3 130.4 22.3 5.2 23.6 20 81 A W E -BC 147 107A 0 127,-3.4 127,-2.2 -2,-0.4 2,-0.8 -0.661 13.7-147.8 -73.5 130.5 26.0 5.4 24.3 21 82 A M E -BC 146 106A 0 85,-2.9 85,-1.3 -2,-0.4 2,-0.8 -0.915 14.2-162.1 -98.1 104.8 26.8 8.3 26.5 22 83 A L E -BC 145 105A 0 123,-2.5 123,-2.4 -2,-0.8 2,-0.4 -0.836 10.0-155.9 -92.3 109.3 30.3 9.2 25.1 23 84 A I E -BC 144 104A 0 81,-2.9 81,-1.8 -2,-0.8 121,-0.2 -0.763 13.0-169.4-101.1 135.6 31.8 11.3 27.9 24 85 A A - 0 0 22 119,-2.8 119,-0.5 -2,-0.4 79,-0.1 -0.604 11.2-174.6-127.3 70.6 34.6 13.8 27.1 25 86 A P - 0 0 12 0, 0.0 117,-0.1 0, 0.0 3,-0.1 -0.221 21.0-167.0 -66.3 151.2 36.2 15.2 30.3 26 87 A T S S+ 0 0 128 2,-0.1 2,-0.3 1,-0.1 116,-0.0 0.486 74.3 56.8-105.6 -12.7 38.8 18.0 30.3 27 88 A Q S S- 0 0 146 3,-0.1 19,-0.1 2,-0.0 -1,-0.1 -0.900 80.3-119.2-123.2 148.1 39.8 17.4 34.0 28 89 A I S S+ 0 0 80 -2,-0.3 2,-0.3 17,-0.1 19,-0.2 -0.287 76.2 48.6 -70.7 167.8 41.1 14.4 36.0 29 90 A G E S+G 46 0B 16 17,-2.6 17,-2.7 -2,-0.0 29,-0.1 -0.692 101.3 14.1 101.2-155.1 39.0 13.2 38.9 30 91 A R E +G 45 0B 85 -2,-0.3 15,-0.2 15,-0.2 -3,-0.1 -0.336 56.4 170.6 -58.6 134.4 35.3 12.4 39.0 31 92 A V E - 0 0 1 13,-2.7 110,-3.1 1,-0.4 111,-0.7 0.757 57.3 -27.0-111.3 -51.6 33.8 12.2 35.5 32 93 A A E -GH 44 140B 0 12,-1.3 12,-2.5 108,-0.3 -1,-0.4 -0.988 51.0-166.6-162.5 160.2 30.2 10.8 35.9 33 94 A E E -GH 43 139B 30 106,-2.8 106,-3.6 -2,-0.3 2,-0.3 -0.985 4.8-178.5-150.6 161.8 28.1 8.7 38.2 34 95 A G E -GH 42 138B 6 8,-2.7 8,-2.5 -2,-0.3 2,-0.3 -0.958 3.5-166.6-154.2 169.0 24.7 6.9 38.1 35 96 A T E -GH 41 137B 27 102,-1.6 102,-0.6 -2,-0.3 6,-0.2 -0.989 31.1-147.2-159.4 151.1 22.4 4.9 40.3 36 97 A N - 0 0 1 4,-1.8 5,-0.1 -2,-0.3 99,-0.1 0.377 52.1-124.2 -94.0 1.5 19.3 2.7 40.3 37 98 A T S S+ 0 0 100 3,-0.6 50,-0.1 1,-0.1 4,-0.1 0.307 94.8 59.6 75.3 -5.4 18.6 4.0 43.8 38 99 A T S S- 0 0 92 2,-0.2 49,-0.3 93,-0.1 -1,-0.1 0.778 122.1 -14.0-118.7 -55.5 18.5 0.5 45.3 39 100 A D S S+ 0 0 68 1,-0.2 2,-0.4 92,-0.2 -4,-0.0 0.278 112.9 66.9-144.1 13.6 21.6 -1.5 45.0 40 101 A R + 0 0 64 91,-0.1 -4,-1.8 2,-0.0 -3,-0.6 -0.941 37.8 166.9-141.9 121.1 24.0 0.1 42.4 41 102 A W E -GI 35 84B 16 43,-2.3 43,-2.7 -2,-0.4 2,-0.3 -0.974 22.3-175.0-124.2 113.1 25.8 3.4 42.6 42 103 A F E +GI 34 83B 1 -8,-2.5 -8,-2.7 -2,-0.4 2,-0.3 -0.838 7.1 173.4-115.6 148.7 28.4 3.5 39.8 43 104 A A E -GI 33 82B 0 39,-2.8 39,-3.2 -2,-0.3 2,-0.4 -0.997 18.4-149.5-150.6 145.8 31.0 6.1 39.1 44 105 A C E -GI 32 81B 0 -12,-2.5 -13,-2.7 -2,-0.3 -12,-1.3 -0.966 13.8-171.9-119.4 142.2 34.0 6.6 36.8 45 106 A V E -GI 30 80B 0 35,-1.9 35,-2.8 -2,-0.4 2,-0.5 -0.935 18.1-130.4-127.5 153.4 37.0 8.7 37.6 46 107 A L E -GI 29 79B 0 -17,-2.7 -17,-2.6 -2,-0.3 2,-0.4 -0.902 18.1-168.5-110.3 131.4 39.9 9.7 35.4 47 108 A V E - I 0 78B 0 31,-2.9 31,-2.4 -2,-0.5 3,-0.1 -0.976 18.6-129.2-121.6 130.5 43.6 9.2 36.4 48 109 A E - 0 0 51 -2,-0.4 3,-0.2 29,-0.2 25,-0.1 -0.151 39.7 -79.0 -71.6 167.5 46.5 10.9 34.5 49 110 A P S S+ 0 0 30 0, 0.0 25,-0.2 0, 0.0 -1,-0.2 -0.262 105.7 26.2 -63.2 156.2 49.5 8.9 33.2 50 111 A N S S+ 0 0 125 23,-2.6 2,-0.5 21,-0.3 22,-0.2 0.924 73.7 155.1 61.3 57.8 52.4 7.9 35.6 51 112 A V E -L 71 0C 14 20,-2.5 20,-2.7 -3,-0.2 -1,-0.2 -0.953 32.4-144.3-119.3 115.3 50.7 7.7 39.0 52 113 A Q E - 0 0 175 -2,-0.5 17,-0.1 18,-0.2 20,-0.0 -0.400 48.6 -67.2 -71.9 154.7 52.1 5.5 41.7 53 114 A N E S+ 0 0 102 -2,-0.1 2,-0.3 17,-0.1 17,-0.2 -0.106 78.0 144.5 -41.8 127.6 49.8 3.7 44.0 54 115 A T E -L 69 0C 56 15,-2.0 15,-3.0 -3,-0.1 2,-0.6 -0.985 50.5-110.0-163.9 160.6 48.0 6.3 46.2 55 116 A Q E -L 68 0C 114 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.918 36.0-177.2-103.9 121.7 44.8 7.1 47.9 56 117 A R E -L 67 0C 62 11,-2.5 11,-2.7 -2,-0.6 2,-0.4 -0.810 22.9-120.1-112.1 157.6 42.8 10.0 46.3 57 118 A E E +L 66 0C 130 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.816 30.5 173.2-100.4 138.6 39.6 11.6 47.5 58 119 A Y E -L 65 0C 14 7,-2.2 7,-3.0 -2,-0.4 2,-0.9 -0.980 33.7-126.3-136.9 147.2 36.5 11.8 45.3 59 120 A V E +L 64 0C 58 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.851 39.5 173.7 -97.3 102.4 32.9 12.9 46.1 60 121 A L E > -L 63 0C 0 3,-2.4 3,-2.1 -2,-0.9 -17,-0.1 -0.941 67.6 -5.8-116.8 129.9 30.8 9.9 45.1 61 122 A D T 3 S- 0 0 40 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.850 132.1 -58.6 49.7 35.8 27.1 9.8 45.8 62 123 A G T 3 S+ 0 0 53 -3,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.311 116.8 109.3 85.3 -9.2 27.6 13.1 47.7 63 124 A Q E < S-L 60 0C 130 -3,-2.1 -3,-2.4 -5,-0.0 2,-0.6 -0.819 70.8-123.1-106.7 140.1 30.2 11.6 50.1 64 125 A T E +L 59 0C 83 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.680 41.3 176.9 -78.1 116.9 33.9 12.2 50.3 65 126 A V E -L 58 0C 36 -7,-3.0 -7,-2.2 -2,-0.6 2,-0.5 -0.910 28.9-131.5-123.5 150.8 35.6 8.9 50.0 66 127 A Q E -L 57 0C 112 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.893 30.0-179.8 -98.9 127.0 39.2 7.7 49.8 67 128 A L E -L 56 0C 16 -11,-2.7 -11,-2.5 -2,-0.5 2,-0.4 -0.990 28.6-120.5-130.4 138.9 40.0 5.3 47.0 68 129 A Q E +L 55 0C 116 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.608 41.2 169.8 -75.1 125.8 43.2 3.6 46.0 69 130 A V E +L 54 0C 3 -15,-3.0 -15,-2.0 -2,-0.4 2,-0.3 -0.938 11.1 168.8-134.8 159.5 44.3 4.4 42.4 70 131 A S E - 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