==== 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 4DRV . 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) . 8038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 67.5 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 . 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 0 3 1 2 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 0 121 0, 0.0 2,-0.1 0, 0.0 162,-0.0 0.000 360.0 360.0 360.0 173.8 24.1 -1.2 55.1 2 63 A S - 0 0 48 1,-0.0 2,-0.5 156,-0.0 161,-0.0 -0.419 360.0-143.7 -69.5 148.9 26.4 -3.6 53.2 3 64 A T + 0 0 133 -2,-0.1 2,-0.3 2,-0.0 -1,-0.0 -0.964 25.4 171.5-121.9 114.7 29.8 -2.2 52.3 4 65 A L - 0 0 27 -2,-0.5 2,-1.1 2,-0.2 143,-0.1 -0.839 43.8 -99.5-120.2 157.0 31.3 -3.2 49.0 5 66 A D E S-A 146 0A 86 141,-0.8 141,-2.3 -2,-0.3 3,-0.2 -0.664 80.9 -30.7 -77.0 101.2 34.3 -2.2 47.0 6 67 A G E - 0 0 33 -2,-1.1 -2,-0.2 1,-0.3 139,-0.2 -0.902 20.4-132.3 145.9-170.7 32.8 0.2 44.5 7 68 A P E - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.341 50.6-173.1 -76.8 137.5 30.9 1.5 42.7 8 69 A Y E -A 144 0A 90 136,-3.2 136,-1.5 -3,-0.2 3,-0.1 -0.754 27.4-108.8 -90.1 147.0 33.5 1.8 39.9 9 70 A Q - 0 0 125 -2,-0.3 133,-0.1 134,-0.2 134,-0.1 -0.379 47.2 -80.3 -70.0 151.5 32.6 3.7 36.8 10 71 A P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 131,-0.1 -0.223 73.6 136.4 -48.7 137.5 32.0 1.9 33.5 11 72 A T - 0 0 69 131,-0.2 129,-2.3 129,-0.2 2,-0.4 -0.954 55.1-103.2-167.0 176.8 35.3 1.0 31.9 12 73 A T E +F 139 0B 87 -2,-0.3 2,-0.3 127,-0.3 127,-0.2 -0.995 53.0 146.3-115.8 128.5 37.3 -1.7 30.1 13 74 A F E -F 138 0B 49 125,-2.4 125,-2.6 -2,-0.4 2,-1.5 -0.986 58.3 -94.5-156.5 165.1 39.9 -3.4 32.2 14 75 A N - 0 0 65 -2,-0.3 123,-0.2 123,-0.2 122,-0.1 -0.679 46.8-142.9 -82.8 85.6 41.8 -6.7 32.9 15 76 A L - 0 0 0 -2,-1.5 121,-0.1 121,-0.4 6,-0.0 -0.310 20.1-120.9 -52.9 121.0 39.5 -8.0 35.7 16 77 A P > - 0 0 63 0, 0.0 3,-0.7 0, 0.0 92,-0.4 -0.357 30.7-101.3 -65.2 146.7 41.8 -9.7 38.2 17 78 A I T 3 S+ 0 0 62 1,-0.2 92,-0.2 117,-0.1 3,-0.1 -0.239 101.0 32.5 -61.0 154.3 41.2 -13.4 38.9 18 79 A D T 3 S+ 0 0 62 90,-2.5 131,-2.0 1,-0.2 2,-0.4 0.705 92.6 109.2 71.4 24.4 39.3 -14.4 42.0 19 80 A Y E < -B 148 0A 97 -3,-0.7 89,-0.5 89,-0.3 2,-0.4 -0.998 64.3-132.9-129.6 129.9 37.1 -11.4 42.2 20 81 A W E -BC 147 107A 0 127,-3.1 127,-2.3 -2,-0.4 2,-0.8 -0.665 14.3-148.0 -71.2 128.4 33.4 -11.3 41.5 21 82 A M E -BC 146 106A 0 85,-3.0 85,-1.4 -2,-0.4 2,-0.8 -0.907 14.3-162.4 -96.8 104.4 32.5 -8.4 39.3 22 83 A L E -BC 145 105A 0 123,-2.4 123,-2.4 -2,-0.8 2,-0.4 -0.826 9.1-156.9 -92.4 109.6 29.0 -7.5 40.6 23 84 A I E -BC 144 104A 0 81,-2.7 81,-1.8 -2,-0.8 121,-0.2 -0.777 12.3-169.5-101.9 134.8 27.5 -5.3 37.9 24 85 A A E -B 143 0A 23 119,-2.7 119,-0.5 -2,-0.4 79,-0.1 -0.640 10.5-173.3-128.0 71.1 24.6 -2.9 38.6 25 86 A P - 0 0 11 0, 0.0 117,-0.1 0, 0.0 3,-0.1 -0.225 20.2-165.5 -65.5 152.1 23.0 -1.5 35.5 26 87 A T S S+ 0 0 124 2,-0.1 2,-0.3 1,-0.1 116,-0.1 0.513 74.9 52.8-105.8 -15.6 20.4 1.2 35.5 27 88 A Q S S- 0 0 150 3,-0.1 19,-0.1 1,-0.0 -1,-0.1 -0.903 80.5-117.0-125.4 150.9 19.3 0.6 31.9 28 89 A I S S+ 0 0 80 -2,-0.3 2,-0.3 17,-0.1 19,-0.2 -0.236 75.6 52.8 -70.9 170.8 18.2 -2.3 29.8 29 90 A G E S+G 46 0B 16 17,-2.3 17,-2.9 29,-0.0 2,-0.1 -0.713 101.0 10.2 103.9-154.0 20.3 -3.5 26.8 30 91 A R E +G 45 0B 83 -2,-0.3 15,-0.2 15,-0.2 -3,-0.1 -0.385 57.4 171.0 -63.1 134.4 23.9 -4.3 26.7 31 92 A V E - 0 0 1 13,-2.6 110,-3.1 1,-0.4 111,-0.6 0.768 57.1 -23.9-110.9 -50.0 25.4 -4.6 30.2 32 93 A A E -GH 44 140B 0 12,-1.3 12,-2.7 108,-0.2 -1,-0.4 -0.989 51.5-171.2-161.9 158.5 28.9 -6.0 29.9 33 94 A E E +GH 43 139B 29 106,-2.6 106,-3.3 -2,-0.3 2,-0.3 -0.973 3.7 180.0-150.7 164.5 31.1 -8.1 27.6 34 95 A G E -GH 42 138B 8 8,-2.6 8,-2.6 -2,-0.3 2,-0.3 -0.974 3.7-167.7-157.8 170.2 34.5 -9.7 27.6 35 96 A T E -GH 41 137B 26 102,-1.7 102,-0.6 -2,-0.3 6,-0.2 -0.986 31.4-146.0-160.3 150.9 36.9 -11.8 25.5 36 97 A N - 0 0 0 4,-1.7 5,-0.1 -2,-0.3 99,-0.1 0.348 52.8-123.7 -93.2 2.6 40.0 -13.9 25.4 37 98 A T S S+ 0 0 101 3,-0.6 50,-0.1 1,-0.1 4,-0.1 0.340 94.8 59.7 72.8 -0.8 40.6 -12.5 21.9 38 99 A T S S- 0 0 93 2,-0.2 49,-0.3 93,-0.1 -1,-0.1 0.752 121.1 -11.9-123.7 -47.9 40.8 -16.1 20.4 39 100 A D S S+ 0 0 68 1,-0.2 2,-0.4 92,-0.1 -4,-0.0 0.351 113.8 62.9-149.3 9.0 37.7 -18.2 20.9 40 101 A R + 0 0 64 91,-0.1 -4,-1.7 2,-0.0 -3,-0.6 -0.954 39.1 167.9-140.9 123.7 35.3 -16.6 23.4 41 102 A W E -GI 35 84B 15 43,-2.2 43,-2.6 -2,-0.4 2,-0.3 -0.980 22.5-175.3-124.5 114.4 33.5 -13.3 23.2 42 103 A F E +GI 34 83B 2 -8,-2.6 -8,-2.6 -2,-0.4 2,-0.3 -0.857 7.4 174.6-118.9 149.3 30.9 -13.2 25.9 43 104 A A E -GI 33 82B 0 39,-2.6 39,-3.0 -2,-0.3 2,-0.4 -0.998 18.2-149.2-150.3 143.9 28.2 -10.6 26.7 44 105 A C E -GI 32 81B 0 -12,-2.7 -13,-2.6 -2,-0.3 -12,-1.3 -0.971 14.2-171.6-117.9 140.3 25.3 -10.1 29.0 45 106 A V E -GI 30 80B 0 35,-1.9 35,-2.5 -2,-0.4 2,-0.5 -0.924 17.5-131.3-123.8 153.1 22.2 -8.1 28.1 46 107 A L E -GI 29 79B 0 -17,-2.9 -17,-2.3 -2,-0.3 2,-0.4 -0.904 17.6-168.4-109.6 131.6 19.3 -7.0 30.3 47 108 A V E - I 0 78B 0 31,-3.0 31,-2.3 -2,-0.5 3,-0.1 -0.971 18.5-129.8-120.3 130.3 15.7 -7.5 29.4 48 109 A E - 0 0 50 -2,-0.4 3,-0.2 29,-0.2 25,-0.1 -0.186 40.0 -79.8 -69.9 165.3 12.8 -5.9 31.3 49 110 A P S S+ 0 0 31 0, 0.0 25,-0.2 0, 0.0 -1,-0.2 -0.264 106.5 27.5 -63.1 156.1 9.8 -7.9 32.5 50 111 A N S S+ 0 0 125 23,-2.6 2,-0.6 21,-0.4 22,-0.2 0.935 74.0 155.0 61.6 56.4 6.9 -8.8 30.2 51 112 A V E -L 71 0C 13 20,-2.6 20,-2.8 -3,-0.2 -1,-0.2 -0.952 33.4-142.4-117.0 112.8 8.7 -9.0 26.9 52 113 A Q E - 0 0 165 -2,-0.6 17,-0.1 18,-0.2 20,-0.0 -0.364 47.4 -68.6 -66.3 151.5 7.2 -11.2 24.2 53 114 A N E S+ 0 0 119 17,-0.1 2,-0.3 15,-0.1 17,-0.2 -0.137 79.9 144.6 -37.0 124.2 9.5 -13.2 21.9 54 115 A T E -L 69 0C 52 15,-2.3 15,-2.8 -3,-0.1 2,-0.5 -0.960 50.8-108.9-161.9 167.1 11.2 -10.6 19.7 55 116 A Q E -L 68 0C 105 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.967 35.6-178.9-111.1 123.1 14.4 -9.7 18.0 56 117 A R E -L 67 0C 65 11,-2.3 11,-2.7 -2,-0.5 2,-0.4 -0.847 23.8-121.2-116.6 156.3 16.4 -6.8 19.4 57 118 A E E +L 66 0C 132 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.817 30.1 174.5 -97.6 137.2 19.7 -5.2 18.3 58 119 A Y E -L 65 0C 14 7,-2.3 7,-2.8 -2,-0.4 2,-1.0 -0.981 33.1-126.4-134.6 149.0 22.7 -5.0 20.4 59 120 A V E +L 64 0C 57 -2,-0.3 2,-0.4 5,-0.2 3,-0.3 -0.826 39.9 172.6 -98.0 100.3 26.2 -3.8 19.7 60 121 A L E > -L 63 0C 0 3,-2.4 3,-2.0 -2,-1.0 -17,-0.1 -0.934 67.0 -5.8-116.3 131.1 28.4 -6.7 20.7 61 122 A D T 3 S- 0 0 40 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.860 131.7 -58.9 49.5 36.8 32.1 -6.8 20.0 62 123 A G T 3 S+ 0 0 55 -3,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.290 117.1 108.3 84.8 -9.7 31.6 -3.6 18.1 63 124 A Q E < S-L 60 0C 129 -3,-2.0 -3,-2.4 -5,-0.0 2,-0.6 -0.819 71.0-122.5-108.3 140.8 29.1 -5.1 15.6 64 125 A T E +L 59 0C 80 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.689 40.8 176.0 -80.5 117.3 25.3 -4.5 15.5 65 126 A V E -L 58 0C 37 -7,-2.8 -7,-2.3 -2,-0.6 2,-0.5 -0.913 29.4-131.9-123.6 149.1 23.6 -7.9 15.8 66 127 A Q E -L 57 0C 112 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.894 30.1-176.1 -96.8 127.1 20.0 -9.0 16.0 67 128 A L E -L 56 0C 17 -11,-2.7 -11,-2.3 -2,-0.5 2,-0.4 -0.974 27.7-119.2-126.8 142.1 19.3 -11.5 18.8 68 129 A Q E +L 55 0C 88 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.628 44.1 166.7 -75.2 125.7 16.2 -13.4 19.8 69 130 A V E +L 54 0C 3 -15,-2.8 -15,-2.3 -2,-0.4 2,-0.3 -0.950 12.6 167.9-138.8 160.6 15.1 -12.5 23.3 70 131 A S E - 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