==== 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 07-JAN-02 1KQR . COMPND 2 MOLECULE: VP4; . SOURCE 2 ORGANISM_SCIENTIFIC: RHESUS ROTAVIRUS; . AUTHOR P.R.DORMITZER,Z.-Y.J.SUN,G.WAGNER,S.C.HARRISON . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 68.8 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 43.8 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 . 17 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.9 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 65 A L 0 0 91 0, 0.0 2,-0.6 0, 0.0 143,-0.2 0.000 360.0 360.0 360.0 93.1 0.6 34.1 -10.0 2 66 A D E -A 143 0A 80 141,-2.1 141,-2.2 3,-0.0 3,-0.2 -0.827 360.0 -26.9 -97.3 114.2 2.7 37.1 -11.0 3 67 A G E - 0 0 32 -2,-0.6 139,-0.2 1,-0.2 2,-0.1 -0.921 28.7-122.8 150.2-168.3 6.3 36.2 -11.8 4 68 A P E - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.400 50.7-178.1 -76.3 145.6 8.9 34.8 -11.8 5 69 A Y E -A 141 0A 92 136,-2.9 136,-1.7 -3,-0.2 3,-0.1 -0.845 25.9-116.8-106.4 145.2 10.9 37.9 -10.7 6 70 A Q - 0 0 140 -2,-0.3 131,-0.1 134,-0.2 133,-0.1 -0.390 49.5 -69.1 -79.2 162.2 14.7 37.8 -10.3 7 71 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 131,-0.2 -0.199 75.7 133.0 -50.5 135.7 16.4 38.3 -7.0 8 72 A T E -F 137 0B 71 129,-0.5 129,-2.8 131,-0.2 2,-0.5 -0.968 54.8-106.3-171.5 169.2 16.2 41.9 -5.8 9 73 A T E +F 136 0B 73 -2,-0.3 2,-0.3 127,-0.3 127,-0.2 -0.960 51.8 142.2-109.2 128.2 15.4 44.2 -2.8 10 74 A F E -F 135 0B 60 125,-2.2 125,-2.5 -2,-0.5 -2,-0.0 -0.931 54.5-101.1-154.5 177.9 12.0 45.9 -2.9 11 75 A N - 0 0 81 -2,-0.3 123,-0.2 123,-0.3 122,-0.1 -0.817 40.4-152.2-108.8 91.7 9.1 47.1 -0.8 12 76 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 121,-0.1 -0.270 22.3-104.5 -66.7 148.4 6.3 44.6 -1.3 13 77 A P > - 0 0 64 0, 0.0 3,-0.6 0, 0.0 92,-0.4 -0.359 41.5-101.2 -65.9 151.1 2.7 45.7 -0.9 14 78 A V T 3 S+ 0 0 46 1,-0.2 92,-0.2 90,-0.1 132,-0.1 -0.285 104.0 32.7 -65.6 155.8 0.9 44.5 2.3 15 79 A D T 3 S+ 0 0 50 90,-3.1 131,-2.7 1,-0.2 2,-0.4 0.827 93.6 110.5 63.9 33.4 -1.5 41.6 2.0 16 80 A Y E < -B 145 0A 90 -3,-0.6 89,-0.5 89,-0.3 2,-0.4 -0.994 63.6-133.0-132.2 136.7 0.5 39.9 -0.8 17 81 A W E -BC 144 104A 1 127,-3.3 127,-2.4 -2,-0.4 2,-0.8 -0.764 8.8-147.5 -87.7 132.3 2.5 36.6 -0.4 18 82 A M E -BC 143 103A 2 85,-2.7 85,-1.5 -2,-0.4 2,-0.6 -0.917 17.7-155.5 -98.4 103.7 6.0 36.6 -1.8 19 83 A L E -BC 142 102A 0 123,-2.1 123,-2.5 -2,-0.8 2,-0.4 -0.786 9.9-156.4 -88.4 116.5 6.3 33.0 -3.0 20 84 A L E -BC 141 101A 0 81,-2.6 81,-1.8 -2,-0.6 121,-0.2 -0.787 14.5-167.6-103.1 136.6 10.0 32.1 -3.1 21 85 A A - 0 0 24 119,-2.7 119,-0.5 -2,-0.4 79,-0.1 -0.611 16.2-178.0-123.0 69.9 11.5 29.3 -5.2 22 86 A P - 0 0 10 0, 0.0 117,-0.1 0, 0.0 3,-0.1 -0.281 17.4-167.5 -68.0 153.6 15.1 28.7 -4.0 23 87 A T + 0 0 117 1,-0.1 2,-0.3 2,-0.1 116,-0.1 0.650 68.9 45.7-111.9 -22.5 17.2 26.1 -5.7 24 88 A A S S- 0 0 62 3,-0.1 19,-0.1 1,-0.0 -1,-0.1 -0.845 87.8-100.0-124.4 153.7 20.1 25.9 -3.2 25 89 A A S S+ 0 0 35 -2,-0.3 2,-0.3 -3,-0.1 19,-0.2 -0.358 80.5 65.9 -62.5 152.9 20.4 25.6 0.5 26 90 A G E S-G 43 0B 18 17,-2.1 17,-2.7 -4,-0.0 2,-0.2 -0.859 91.8 -6.2 130.5-165.3 21.2 28.9 2.2 27 91 A V E +G 42 0B 31 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.481 51.6 178.0 -70.3 130.2 19.5 32.3 2.8 28 92 A V E - 0 0 2 13,-3.2 110,-2.7 1,-0.4 111,-0.4 0.834 62.0 -14.0 -98.5 -46.5 16.2 32.6 0.9 29 93 A V E -GH 41 137B 1 12,-0.9 12,-2.7 108,-0.2 -1,-0.4 -0.979 57.0-168.9-158.3 150.6 14.9 36.0 1.9 30 94 A E E +GH 40 136B 18 106,-1.8 106,-3.1 -2,-0.3 2,-0.3 -0.993 9.1 168.4-147.5 146.0 15.6 38.6 4.5 31 95 A G E +GH 39 135B 3 8,-2.7 8,-2.7 -2,-0.3 2,-0.3 -0.986 4.2 179.3-155.0 151.0 13.8 41.8 5.7 32 96 A T E -GH 38 134B 21 102,-0.8 102,-0.7 -2,-0.3 6,-0.2 -0.985 32.5-147.2-148.8 154.5 14.0 44.3 8.5 33 97 A N - 0 0 15 4,-1.9 5,-0.1 -2,-0.3 -1,-0.0 0.306 49.5-123.5 -99.1 5.2 12.3 47.5 9.8 34 98 A N S S+ 0 0 124 3,-0.6 50,-0.1 1,-0.1 4,-0.1 0.486 95.2 57.8 66.3 8.8 15.8 48.6 11.2 35 99 A T S S- 0 0 81 2,-0.3 49,-0.4 93,-0.1 -1,-0.1 0.652 119.6 -5.6-128.9 -68.6 14.3 48.9 14.7 36 100 A D S S+ 0 0 57 1,-0.2 2,-0.3 92,-0.2 47,-0.0 0.282 115.9 55.5-122.6 14.8 12.6 45.9 16.4 37 101 A R + 0 0 29 91,-0.1 -4,-1.9 90,-0.1 -3,-0.6 -0.916 40.3 165.7-154.6 127.2 12.5 43.2 13.7 38 102 A W E +GI 32 81B 13 43,-2.2 43,-1.7 -2,-0.3 2,-0.4 -0.997 15.2 179.1-129.0 132.0 15.0 41.4 11.6 39 103 A L E +GI 31 80B 2 -8,-2.7 -8,-2.7 -2,-0.4 2,-0.4 -0.994 7.4 172.9-136.7 130.2 13.9 38.1 9.8 40 104 A A E -GI 30 79B 0 39,-2.5 39,-3.1 -2,-0.4 2,-0.5 -0.993 20.6-146.1-132.5 130.5 16.0 35.9 7.5 41 105 A T E -GI 29 78B 0 -12,-2.7 -13,-3.2 -2,-0.4 -12,-0.9 -0.824 14.6-165.4 -98.8 126.5 14.7 32.6 6.2 42 106 A I E -GI 27 77B 0 35,-2.6 35,-2.8 -2,-0.5 2,-0.6 -0.917 12.5-141.8-110.9 141.4 17.4 29.9 5.7 43 107 A L E -GI 26 76B 0 -17,-2.7 -17,-2.1 -2,-0.4 2,-0.4 -0.911 18.8-164.8-103.2 120.9 16.8 26.7 3.8 44 108 A V E - I 0 75B 0 31,-3.1 31,-2.4 -2,-0.6 3,-0.1 -0.885 20.3-116.7-109.2 136.8 18.5 23.7 5.3 45 109 A E - 0 0 69 -2,-0.4 3,-0.2 29,-0.2 28,-0.1 -0.170 42.9 -81.4 -64.3 159.3 19.0 20.5 3.4 46 110 A P S S+ 0 0 42 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.289 103.8 17.9 -59.4 149.3 17.4 17.2 4.5 47 111 A N S S+ 0 0 100 23,-2.7 2,-0.5 26,-0.4 22,-0.2 0.944 71.9 159.4 58.9 69.6 19.1 15.2 7.3 48 112 A V E -L 68 0C 16 20,-2.1 20,-2.8 -3,-0.2 -1,-0.2 -0.965 29.8-146.3-126.1 117.3 21.5 17.4 9.2 49 113 A T E - 0 0 121 -2,-0.5 17,-0.1 18,-0.2 20,-0.0 -0.525 54.8 -66.2 -75.3 145.1 22.7 16.7 12.7 50 114 A S E S+ 0 0 85 -2,-0.2 2,-0.3 15,-0.1 17,-0.2 -0.008 75.0 150.0 -32.0 122.1 23.3 19.8 14.8 51 115 A E E -L 66 0C 87 15,-2.3 15,-2.9 -3,-0.1 2,-0.4 -0.984 45.3-112.1-159.1 152.6 26.2 21.8 13.4 52 116 A T E -L 65 0C 82 -2,-0.3 2,-0.3 13,-0.3 13,-0.3 -0.764 35.6-177.2 -93.7 132.0 27.3 25.4 13.3 53 117 A R E -L 64 0C 49 11,-2.8 11,-2.7 -2,-0.4 2,-0.5 -0.883 24.4-123.5-125.3 158.6 27.2 27.2 9.9 54 118 A S E +L 63 0C 64 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.875 31.6 175.6-102.3 131.0 28.2 30.6 8.7 55 119 A Y E -L 62 0C 19 7,-2.5 7,-2.6 -2,-0.5 2,-0.9 -0.984 33.3-124.9-132.4 147.8 25.6 32.7 6.8 56 120 A T E +L 61 0C 90 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.826 35.9 179.8 -92.8 111.8 25.7 36.2 5.5 57 121 A L E > -L 60 0C 1 3,-2.7 3,-1.8 -2,-0.9 -17,-0.1 -0.957 69.6 -13.6-117.3 122.7 22.7 37.9 7.1 58 122 A F T 3 S- 0 0 55 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.897 131.6 -52.7 52.0 44.4 22.0 41.5 6.3 59 123 A G T 3 S+ 0 0 64 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.309 119.7 96.7 78.7 -3.9 25.5 41.7 4.8 60 124 A T E < S-L 57 0C 84 -3,-1.8 -3,-2.7 -5,-0.0 2,-0.2 -0.932 77.2-109.5-123.1 144.5 27.5 40.3 7.8 61 125 A Q E -L 56 0C 130 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.472 39.0-177.2 -70.9 130.2 28.7 36.8 8.6 62 126 A E E -L 55 0C 55 -7,-2.6 -7,-2.5 -2,-0.2 2,-0.5 -0.976 23.9-134.5-130.6 142.9 26.8 35.1 11.4 63 127 A Q E +L 54 0C 107 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.874 29.8 177.1 -97.8 127.1 27.4 31.7 13.1 64 128 A I E -L 53 0C 13 -11,-2.7 -11,-2.8 -2,-0.5 2,-0.7 -0.998 26.2-136.0-132.2 132.4 24.1 29.8 13.5 65 129 A T E +L 52 0C 73 -2,-0.4 2,-0.3 -13,-0.3 -13,-0.3 -0.801 37.4 173.5 -91.4 119.3 23.7 26.3 14.9 66 130 A I E +L 51 0C 2 -15,-2.9 -15,-2.3 -2,-0.7 2,-0.3 -0.789 16.7 175.1-125.7 165.6 21.2 24.4 12.8 67 131 A A E - 0 0 32 -2,-0.3 2,-0.3 -17,-0.2 -18,-0.2 -0.973 17.4-154.6-156.4 162.0 19.8 21.0 12.3 68 132 A N E -L 48 0C 2 -20,-2.8 -20,-2.1 -2,-0.3 -21,-0.1 -0.834 3.6-170.4-145.9 107.3 17.2 19.1 10.2 69 133 A A + 0 0 96 -2,-0.3 2,-0.2 -22,-0.2 -1,-0.1 0.674 58.2 101.4 -69.3 -20.9 15.7 16.0 11.8 70 134 A S - 0 0 17 3,-0.2 -23,-2.7 1,-0.1 -22,-0.1 -0.469 60.6-154.4 -71.9 134.7 13.9 15.0 8.6 71 135 A Q S S+ 0 0 157 -2,-0.2 -1,-0.1 -25,-0.2 -2,-0.0 0.851 92.0 12.9 -74.6 -29.1 15.6 12.3 6.6 72 136 A T S S+ 0 0 112 -26,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.611 107.6 81.0-124.7 -16.2 13.9 13.4 3.3 73 137 A Q S S- 0 0 24 -28,-0.1 -26,-0.4 1,-0.1 24,-0.2 -0.704 70.1-120.0 -99.9 149.5 12.3 16.9 3.7 74 138 A W E - J 0 96B 49 22,-2.8 22,-2.3 -2,-0.3 2,-0.4 -0.322 23.6-139.1 -70.9 162.0 13.9 20.4 3.5 75 139 A K E -IJ 44 95B 38 -31,-2.4 -31,-3.1 20,-0.2 2,-0.5 -0.970 9.6-162.5-132.0 116.7 13.6 22.7 6.5 76 140 A F E -IJ 43 94B 0 18,-2.9 18,-2.1 -2,-0.4 2,-0.4 -0.882 16.2-169.6 -92.4 127.7 13.0 26.4 6.1 77 141 A I E -I 42 0B 3 -35,-2.8 -35,-2.6 -2,-0.5 2,-0.6 -0.968 19.1-140.6-122.0 131.7 13.9 28.2 9.3 78 142 A D E -IJ 41 91B 0 13,-2.1 13,-2.2 -2,-0.4 2,-0.6 -0.841 17.2-163.5 -88.9 122.0 13.1 31.8 10.2 79 143 A V E +IJ 40 90B 1 -39,-3.1 -39,-2.5 -2,-0.6 2,-0.3 -0.939 20.5 176.8-106.3 120.0 16.1 33.3 12.1 80 144 A V E -IJ 39 89B 4 9,-2.8 9,-2.7 -2,-0.6 2,-0.3 -0.925 24.0-172.2-130.4 151.7 15.0 36.5 13.9 81 145 A K E -I 38 0B 24 -43,-1.7 -43,-2.2 -2,-0.3 7,-0.1 -0.959 13.6-155.3-135.1 155.6 16.3 39.2 16.2 82 146 A T S S+ 0 0 77 -2,-0.3 2,-0.3 5,-0.3 6,-0.1 0.348 79.7 36.8-115.8 2.7 14.4 41.9 17.8 83 147 A T S > S- 0 0 78 4,-0.1 3,-1.5 -45,-0.1 -47,-0.1 -0.957 89.8-106.8-145.1 158.5 17.1 44.6 18.4 84 148 A Q T 3 S+ 0 0 129 -49,-0.4 -48,-0.1 -2,-0.3 -1,-0.1 0.849 119.1 32.3 -57.9 -37.4 20.0 45.5 16.1 85 149 A N T 3 S+ 0 0 153 2,-0.0 -1,-0.3 -3,-0.0 2,-0.0 0.265 95.4 117.4-105.1 15.4 22.6 43.8 18.3 86 150 A G S < S- 0 0 25 -3,-1.5 2,-0.2 1,-0.1 -5,-0.0 -0.240 70.2 -97.2 -76.5 168.2 20.5 41.0 19.6 87 151 A S - 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