==== 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 09-MAR-07 2P3K . COMPND 2 MOLECULE: VP4; . SOURCE 2 ORGANISM_SCIENTIFIC: RHESUS ROTAVIRUS; . AUTHOR H.BLANCHARD . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 66.5 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 . 70 43.5 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 . 14 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 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 3 1 3 1 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 V 0 0 183 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.4 50.3 14.5 -14.1 2 65 A L - 0 0 46 1,-0.1 2,-1.2 143,-0.0 143,-0.1 -0.513 360.0-128.4 -71.0 126.4 47.3 14.9 -11.6 3 66 A D E -A 144 0A 72 141,-0.7 141,-2.3 -2,-0.3 3,-0.2 -0.641 57.2 -47.1 -84.2 94.7 45.6 11.5 -11.3 4 67 A G E - 0 0 30 -2,-1.2 139,-0.2 1,-0.2 2,-0.1 -0.905 14.9-124.4 148.8-172.7 41.9 12.2 -11.9 5 68 A P E - 0 0 69 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.374 48.5-176.9 -82.2 144.7 39.2 13.4 -11.9 6 69 A Y E -A 142 0A 101 136,-3.1 136,-1.9 -3,-0.2 3,-0.1 -0.841 26.8-114.5-102.2 145.3 37.3 10.3 -10.8 7 70 A Q - 0 0 130 -2,-0.4 131,-0.1 134,-0.2 133,-0.1 -0.372 48.7 -72.5 -75.5 155.7 33.5 10.3 -10.5 8 71 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 131,-0.2 -0.196 75.4 133.7 -48.8 134.6 31.7 9.8 -7.1 9 72 A T E -F 138 0B 72 129,-0.5 129,-2.6 131,-0.2 2,-0.5 -0.961 54.8-106.6-169.9 167.2 32.0 6.2 -6.0 10 73 A T E +F 137 0B 73 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.965 51.7 142.2-108.1 128.6 32.8 4.0 -3.0 11 74 A F E -F 136 0B 64 125,-2.0 125,-2.6 -2,-0.5 -2,-0.0 -0.917 55.3-100.6-153.1 177.8 36.1 2.1 -3.1 12 75 A N - 0 0 81 -2,-0.3 123,-0.2 123,-0.2 122,-0.1 -0.819 41.5-153.3-107.5 89.3 39.0 1.0 -0.9 13 76 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 121,-0.1 -0.277 22.4-103.6 -66.7 150.8 41.8 3.5 -1.5 14 77 A P > - 0 0 64 0, 0.0 3,-0.6 0, 0.0 92,-0.4 -0.325 41.6 -99.6 -64.5 151.8 45.4 2.5 -1.0 15 78 A V T 3 S+ 0 0 50 1,-0.2 92,-0.2 90,-0.1 132,-0.1 -0.331 104.7 30.8 -63.3 155.1 47.2 3.6 2.2 16 79 A D T 3 S+ 0 0 49 90,-3.3 131,-2.7 1,-0.2 2,-0.4 0.811 93.5 113.5 61.8 33.6 49.5 6.6 1.9 17 80 A Y E < -B 146 0A 88 -3,-0.6 89,-0.6 89,-0.3 2,-0.4 -0.997 61.8-133.8-128.9 134.1 47.5 8.3 -0.8 18 81 A W E -BC 145 105A 0 127,-3.4 127,-2.5 -2,-0.4 2,-0.9 -0.744 8.9-146.8 -81.8 128.9 45.6 11.5 -0.5 19 82 A M E -BC 144 104A 2 85,-2.9 85,-1.4 -2,-0.4 2,-0.7 -0.892 17.3-155.4 -91.8 102.6 42.0 11.6 -1.9 20 83 A L E -BC 143 103A 0 123,-2.2 123,-2.5 -2,-0.9 2,-0.4 -0.760 10.9-156.7 -86.6 115.5 41.8 15.2 -3.1 21 84 A L E -BC 142 102A 0 81,-2.9 81,-1.9 -2,-0.7 121,-0.2 -0.786 15.9-168.7-104.2 135.2 38.1 16.1 -3.1 22 85 A A - 0 0 21 119,-2.6 119,-0.5 -2,-0.4 79,-0.1 -0.621 16.0-177.1-121.8 69.8 36.5 18.8 -5.3 23 86 A P - 0 0 10 0, 0.0 117,-0.1 0, 0.0 3,-0.1 -0.294 16.8-168.8 -67.4 152.6 32.9 19.4 -4.1 24 87 A T + 0 0 120 1,-0.1 2,-0.3 2,-0.1 116,-0.1 0.634 68.7 48.9-109.4 -25.0 30.7 21.9 -5.8 25 88 A A S S- 0 0 62 3,-0.1 19,-0.1 1,-0.0 -1,-0.1 -0.835 87.9-102.4-117.2 151.4 27.8 22.0 -3.3 26 89 A A S S+ 0 0 38 -2,-0.3 2,-0.3 -3,-0.1 19,-0.2 -0.400 81.9 62.7 -60.2 147.9 27.5 22.5 0.4 27 90 A G E S-G 44 0B 16 17,-2.0 17,-3.0 -2,-0.1 2,-0.2 -0.866 92.5 -2.6 130.2-162.7 26.8 19.1 2.2 28 91 A V E +G 43 0B 32 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.463 51.0 176.7 -72.2 129.6 28.5 15.8 2.7 29 92 A V E - 0 0 2 13,-3.3 110,-2.8 1,-0.4 111,-0.3 0.846 62.4 -11.7 -98.7 -49.3 31.8 15.5 0.8 30 93 A V E -GH 42 138B 1 12,-0.9 12,-2.8 108,-0.2 -1,-0.4 -0.982 57.9-169.8-153.4 149.7 33.2 12.1 1.8 31 94 A E E +GH 41 137B 17 106,-1.9 106,-3.2 -2,-0.3 2,-0.3 -0.995 8.5 167.5-146.0 150.4 32.5 9.4 4.4 32 95 A G E +GH 40 136B 3 8,-2.7 8,-2.7 -2,-0.3 2,-0.3 -0.984 4.6 179.6-159.1 149.8 34.2 6.3 5.6 33 96 A T E -GH 39 135B 21 102,-0.7 102,-0.7 -2,-0.3 6,-0.2 -0.984 31.3-148.6-147.5 154.0 34.0 3.7 8.4 34 97 A N - 0 0 16 4,-1.9 5,-0.1 -2,-0.3 -1,-0.0 0.289 49.2-123.9 -98.3 3.5 35.6 0.6 9.6 35 98 A N S S+ 0 0 123 3,-0.6 50,-0.1 1,-0.2 4,-0.1 0.520 94.9 57.5 67.1 10.3 32.2 -0.5 11.0 36 99 A T S S- 0 0 78 2,-0.3 49,-0.4 93,-0.1 -1,-0.2 0.611 120.4 -5.5-130.7 -67.4 33.7 -0.9 14.5 37 100 A D S S+ 0 0 60 1,-0.2 2,-0.3 92,-0.2 47,-0.0 0.290 116.4 56.8-125.5 12.6 35.4 2.1 16.2 38 101 A R + 0 0 29 91,-0.1 -4,-1.9 90,-0.1 -3,-0.6 -0.910 39.6 164.1-152.2 124.1 35.4 4.8 13.5 39 102 A W E +GI 33 82B 16 43,-2.2 43,-1.8 -2,-0.3 2,-0.4 -0.995 16.1 178.9-124.2 131.2 32.9 6.6 11.4 40 103 A L E +GI 32 81B 3 -8,-2.7 -8,-2.7 -2,-0.4 2,-0.4 -0.990 7.4 173.1-134.6 128.3 34.1 9.9 9.7 41 104 A A E -GI 31 80B 0 39,-2.6 39,-3.1 -2,-0.4 2,-0.5 -0.998 21.1-145.0-129.3 130.5 32.0 12.1 7.4 42 105 A T E -GI 30 79B 0 -12,-2.8 -13,-3.3 -2,-0.4 -12,-0.9 -0.838 15.1-163.6 -96.3 127.3 33.3 15.4 6.1 43 106 A I E -GI 28 78B 0 35,-2.7 35,-2.5 -2,-0.5 2,-0.6 -0.911 11.9-142.3-108.6 135.9 30.6 18.1 5.7 44 107 A L E -GI 27 77B 0 -17,-3.0 -17,-2.0 -2,-0.4 2,-0.4 -0.889 20.1-162.2 -97.0 118.6 31.2 21.3 3.7 45 108 A V E - I 0 76B 0 31,-3.1 31,-2.2 -2,-0.6 3,-0.1 -0.867 19.7-113.2-105.1 134.6 29.5 24.3 5.4 46 109 A E - 0 0 68 -2,-0.4 3,-0.2 29,-0.2 28,-0.1 -0.141 42.7 -88.2 -51.7 149.5 28.7 27.6 3.5 47 110 A P S S+ 0 0 40 0, 0.0 25,-0.2 0, 0.0 28,-0.1 -0.335 104.1 19.0 -51.9 142.5 30.5 30.8 4.5 48 111 A N S S+ 0 0 100 23,-2.6 2,-0.5 26,-0.4 22,-0.2 0.955 73.6 161.1 65.2 70.5 28.9 32.8 7.3 49 112 A V E -L 69 0C 15 20,-2.2 20,-2.9 -3,-0.2 2,-0.2 -0.957 28.4-147.2-128.5 113.9 26.5 30.5 9.2 50 113 A T E - 0 0 120 -2,-0.5 17,-0.1 18,-0.2 20,-0.0 -0.527 54.4 -66.4 -72.4 144.4 25.2 31.3 12.7 51 114 A S E S+ 0 0 85 -2,-0.2 2,-0.3 15,-0.1 17,-0.2 0.027 74.6 151.8 -34.7 119.8 24.6 28.2 14.9 52 115 A E E -L 67 0C 88 15,-2.2 15,-2.7 -3,-0.1 2,-0.5 -0.987 44.8-114.2-154.2 151.4 21.7 26.1 13.5 53 116 A T E -L 66 0C 85 -2,-0.3 2,-0.3 13,-0.3 13,-0.3 -0.782 36.9-179.2 -91.4 129.5 20.6 22.5 13.4 54 117 A R E -L 65 0C 47 11,-2.9 11,-2.7 -2,-0.5 2,-0.5 -0.871 25.9-122.2-123.3 158.6 20.6 20.8 10.0 55 118 A S E +L 64 0C 68 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.880 31.7 178.4 -99.6 129.8 19.7 17.4 8.7 56 119 A Y E -L 63 0C 18 7,-2.5 7,-2.5 -2,-0.5 2,-0.9 -0.986 32.1-125.7-128.6 143.9 22.4 15.4 6.9 57 120 A T E +L 62 0C 69 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.799 36.6 178.2 -84.2 106.2 22.4 11.9 5.4 58 121 A L E > -L 61 0C 0 3,-2.7 3,-1.7 -2,-0.9 -17,-0.1 -0.962 69.6 -14.0-114.9 122.8 25.4 10.2 7.1 59 122 A F T 3 S- 0 0 54 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.904 131.6 -52.5 50.0 45.2 26.0 6.6 6.2 60 123 A G T 3 S+ 0 0 63 -3,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.310 120.1 93.4 81.3 -4.8 22.5 6.4 4.6 61 124 A T E < S-L 58 0C 79 -3,-1.7 -3,-2.7 -5,-0.0 2,-0.2 -0.929 78.4-104.4-126.0 146.8 20.5 7.8 7.6 62 125 A Q E -L 57 0C 114 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.452 39.2-177.6 -67.4 130.8 19.3 11.2 8.6 63 126 A E E -L 56 0C 56 -7,-2.5 -7,-2.5 -2,-0.2 2,-0.6 -0.988 23.9-133.5-131.5 140.1 21.2 12.8 11.4 64 127 A Q E +L 55 0C 119 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.847 30.4 176.8 -93.0 122.9 20.6 16.2 13.1 65 128 A I E -L 54 0C 13 -11,-2.7 -11,-2.9 -2,-0.6 2,-0.7 -0.994 26.9-137.3-129.1 132.0 23.9 18.1 13.5 66 129 A T E +L 53 0C 73 -2,-0.4 2,-0.3 -13,-0.3 -13,-0.3 -0.818 36.9 176.6 -88.5 115.8 24.3 21.6 15.0 67 130 A I E +L 52 0C 2 -15,-2.7 -15,-2.2 -2,-0.7 2,-0.3 -0.785 15.9 175.3-121.5 162.5 26.7 23.5 12.7 68 131 A A E - 0 0 33 -2,-0.3 2,-0.3 -17,-0.2 -18,-0.2 -0.971 17.3-156.7-152.5 160.4 28.2 27.0 12.4 69 132 A N E -L 49 0C 2 -20,-2.9 -20,-2.2 -2,-0.3 -21,-0.1 -0.831 3.7-170.9-143.5 107.5 30.7 28.8 10.3 70 133 A A + 0 0 99 -2,-0.3 2,-0.3 -22,-0.2 -1,-0.1 0.638 58.8 98.9 -69.2 -19.0 32.2 31.9 11.9 71 134 A S - 0 0 20 3,-0.2 -23,-2.6 1,-0.1 -22,-0.1 -0.547 60.5-155.2 -77.2 133.4 34.0 33.0 8.7 72 135 A Q S S+ 0 0 155 -2,-0.3 -1,-0.1 -25,-0.2 -2,-0.0 0.852 92.8 14.8 -68.6 -33.2 32.3 35.7 6.6 73 136 A T S S+ 0 0 109 -26,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.649 107.5 81.3-120.6 -23.4 34.0 34.6 3.4 74 137 A Q - 0 0 26 -28,-0.1 -26,-0.4 1,-0.1 24,-0.2 -0.673 69.9-119.6 -97.0 146.7 35.6 31.2 3.8 75 138 A W E - J 0 97B 51 22,-2.7 22,-2.2 -2,-0.3 2,-0.4 -0.310 24.0-140.9 -63.2 159.2 34.1 27.7 3.5 76 139 A K E -IJ 45 96B 34 -31,-2.2 -31,-3.1 20,-0.2 2,-0.5 -0.959 9.5-163.5-130.9 114.1 34.3 25.4 6.5 77 140 A F E -IJ 44 95B 0 18,-2.8 18,-2.2 -2,-0.4 2,-0.4 -0.852 16.0-168.8 -88.9 131.7 35.0 21.7 6.1 78 141 A I E -I 43 0B 3 -35,-2.5 -35,-2.7 -2,-0.5 2,-0.6 -0.984 19.4-138.6-125.4 130.3 34.1 19.8 9.3 79 142 A D E -IJ 42 92B 0 13,-2.0 13,-2.3 -2,-0.4 2,-0.6 -0.809 18.6-164.2 -85.7 118.2 34.9 16.2 10.2 80 143 A V E +IJ 41 91B 0 -39,-3.1 -39,-2.6 -2,-0.6 2,-0.3 -0.932 20.8 175.3-104.8 118.9 31.9 14.7 11.9 81 144 A V E -IJ 40 90B 3 9,-2.9 9,-2.7 -2,-0.6 2,-0.3 -0.920 25.2-170.2-130.8 149.3 32.9 11.5 13.7 82 145 A K E -I 39 0B 25 -43,-1.8 -43,-2.2 -2,-0.3 7,-0.1 -0.962 12.9-156.1-132.3 159.7 31.6 8.8 15.9 83 146 A T S S+ 0 0 83 -2,-0.3 2,-0.3 5,-0.3 6,-0.1 0.385 79.3 35.5-117.0 -5.3 33.6 6.0 17.8 84 147 A T S > S- 0 0 75 4,-0.1 3,-1.3 -45,-0.1 -47,-0.1 -0.962 88.6-106.0-140.9 161.5 30.9 3.4 18.2 85 148 A Q T 3 S+ 0 0 130 -49,-0.4 -48,-0.1 -2,-0.3 -1,-0.1 0.839 120.3 31.0 -54.8 -41.8 27.9 2.4 16.0 86 149 A N T 3 S+ 0 0 151 2,-0.0 -1,-0.3 -3,-0.0 0, 0.0 0.284 95.9 121.5-103.8 10.6 25.3 4.0 18.1 87 150 A G < - 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