==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 09-MAR-07 2P3J . 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) . 7767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 65.8 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 . 69 42.9 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 2 0 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 90 0, 0.0 2,-1.9 0, 0.0 143,-0.1 0.000 360.0 360.0 360.0 -82.0 51.3 13.0 -9.5 2 65 A L + 0 0 68 143,-0.1 2,-0.8 141,-0.1 143,-0.1 -0.442 360.0 176.6 -74.0 83.1 47.8 14.4 -10.3 3 66 A D E -A 144 0A 76 -2,-1.9 141,-2.6 141,-1.6 3,-0.2 -0.798 37.1 -33.3 -92.9 108.7 45.9 11.2 -11.0 4 67 A G E - 0 0 35 -2,-0.8 139,-0.2 1,-0.2 2,-0.1 -0.949 27.3-121.0 152.3-166.2 42.2 12.0 -11.7 5 68 A P E - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.453 49.1-175.1 -79.0 147.9 39.6 13.3 -11.6 6 69 A Y E -A 142 0A 93 136,-3.3 136,-2.0 -3,-0.2 3,-0.1 -0.854 25.1-114.9-103.8 147.7 37.7 10.2 -10.4 7 70 A Q - 0 0 137 -2,-0.3 131,-0.1 134,-0.2 133,-0.1 -0.387 47.9 -73.7 -79.2 157.1 33.9 10.2 -10.1 8 71 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.207 74.0 136.9 -52.3 135.0 32.2 9.8 -6.7 9 72 A T - 0 0 71 129,-0.4 129,-2.5 131,-0.2 2,-0.5 -0.966 54.3-104.0-167.5 167.2 32.4 6.2 -5.5 10 73 A T E +F 137 0B 78 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.951 54.9 138.5-106.7 131.2 33.0 3.9 -2.5 11 74 A F E -F 136 0B 52 125,-2.4 125,-3.0 -2,-0.5 -2,-0.0 -0.952 56.2-101.3-159.8 175.0 36.4 2.2 -2.5 12 75 A N - 0 0 85 -2,-0.3 123,-0.2 123,-0.2 122,-0.1 -0.883 39.7-149.3-109.9 97.8 39.4 1.2 -0.4 13 76 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 121,-0.1 -0.369 22.3-106.7 -68.7 145.5 42.2 3.7 -1.0 14 77 A P > - 0 0 67 0, 0.0 3,-0.6 0, 0.0 92,-0.4 -0.352 41.1 -99.9 -64.1 151.4 45.8 2.5 -0.7 15 78 A V T 3 S+ 0 0 48 1,-0.2 92,-0.2 90,-0.1 132,-0.1 -0.355 104.1 30.6 -66.1 153.5 47.7 3.6 2.4 16 79 A D T 3 S+ 0 0 48 90,-3.5 131,-2.3 1,-0.2 2,-0.4 0.822 93.4 112.2 65.3 33.1 50.1 6.6 2.0 17 80 A Y E < -B 146 0A 89 -3,-0.6 89,-0.6 89,-0.3 2,-0.4 -0.997 62.5-133.9-130.8 134.3 48.1 8.3 -0.7 18 81 A W E -BC 145 105A 0 127,-3.3 127,-2.5 -2,-0.4 2,-0.8 -0.740 10.4-148.7 -81.1 130.3 46.2 11.6 -0.3 19 82 A M E -BC 144 104A 4 85,-3.1 85,-1.5 -2,-0.4 2,-0.7 -0.926 15.2-155.1 -96.3 108.0 42.7 11.6 -1.7 20 83 A L E -BC 143 103A 0 123,-2.4 123,-2.2 -2,-0.8 2,-0.3 -0.808 9.3-156.5 -91.3 112.9 42.3 15.3 -2.9 21 84 A L E -BC 142 102A 0 81,-3.0 81,-1.9 -2,-0.7 121,-0.2 -0.717 12.8-167.9 -97.1 137.0 38.6 16.1 -2.9 22 85 A A - 0 0 23 119,-2.5 119,-0.4 -2,-0.3 79,-0.1 -0.623 14.8-179.4-123.5 70.1 37.1 18.9 -5.0 23 86 A P - 0 0 10 0, 0.0 117,-0.1 0, 0.0 3,-0.1 -0.296 16.9-167.8 -70.8 155.8 33.5 19.6 -3.9 24 87 A T + 0 0 116 1,-0.2 2,-0.3 2,-0.1 116,-0.0 0.666 69.0 44.5-109.2 -29.7 31.4 22.2 -5.6 25 88 A A S S- 0 0 62 3,-0.1 -1,-0.2 1,-0.1 19,-0.1 -0.822 88.6 -98.0-118.8 154.3 28.5 22.5 -3.1 26 89 A A S S+ 0 0 37 -2,-0.3 2,-0.3 -3,-0.1 19,-0.2 -0.319 80.3 67.5 -59.7 148.9 28.1 22.7 0.6 27 90 A G E S-G 44 0B 18 17,-1.9 17,-3.0 -4,-0.0 2,-0.3 -0.894 91.3 -8.6 135.7-163.4 27.3 19.4 2.3 28 91 A V E +G 43 0B 31 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.523 50.6 178.3 -72.2 133.3 29.0 16.0 3.0 29 92 A V E - 0 0 1 13,-3.2 110,-2.5 1,-0.4 111,-0.4 0.812 62.2 -12.6-103.6 -44.8 32.3 15.7 1.1 30 93 A V E -GH 42 138B 0 12,-0.9 12,-2.6 108,-0.2 -1,-0.4 -0.979 54.8-167.0-158.5 148.6 33.6 12.3 2.2 31 94 A E E +GH 41 137B 17 106,-1.8 106,-3.2 -2,-0.3 2,-0.3 -0.986 10.6 171.6-140.7 151.2 32.9 9.6 4.8 32 95 A G E +GH 40 136B 4 8,-2.7 8,-3.2 -2,-0.3 2,-0.3 -0.983 2.6 176.9-156.9 150.7 34.8 6.6 5.9 33 96 A T E -GH 39 135B 20 102,-1.2 102,-1.2 -2,-0.3 6,-0.2 -0.991 33.9-149.2-152.3 153.9 34.7 4.0 8.6 34 97 A N - 0 0 14 4,-1.7 5,-0.1 -2,-0.3 -1,-0.1 0.359 49.9-124.5 -98.4 2.0 36.4 0.9 9.9 35 98 A N S S+ 0 0 124 3,-0.6 50,-0.1 1,-0.1 4,-0.1 0.521 94.4 61.1 67.5 9.0 32.9 -0.3 11.2 36 99 A T S S- 0 0 77 2,-0.3 49,-0.3 93,-0.1 -1,-0.1 0.677 119.7 -9.9-127.6 -55.3 34.3 -0.7 14.7 37 100 A D S S+ 0 0 60 1,-0.2 2,-0.3 92,-0.2 47,-0.0 0.273 115.9 58.7-140.5 14.1 35.7 2.4 16.5 38 101 A A + 0 0 10 90,-0.1 -4,-1.7 91,-0.1 -3,-0.6 -0.911 40.1 167.1-152.1 120.4 35.9 5.2 13.9 39 102 A W E -GI 33 82B 14 43,-2.0 43,-1.9 -2,-0.3 2,-0.4 -0.996 18.9-179.3-124.8 122.1 33.3 6.8 11.7 40 103 A L E +GI 32 81B 6 -8,-3.2 -8,-2.7 -2,-0.4 2,-0.3 -0.987 8.2 172.1-126.3 133.3 34.5 10.0 10.0 41 104 A A E -GI 31 80B 0 39,-2.5 39,-3.4 -2,-0.4 2,-0.5 -0.991 21.0-143.3-133.9 147.3 32.7 12.4 7.7 42 105 A T E -GI 30 79B 0 -12,-2.6 -13,-3.2 -2,-0.3 -12,-0.9 -0.944 15.1-165.1-109.9 128.0 33.8 15.8 6.4 43 106 A I E -GI 28 78B 1 35,-2.7 35,-2.9 -2,-0.5 2,-0.5 -0.919 10.7-144.7-111.9 136.8 31.2 18.4 6.0 44 107 A L E -GI 27 77B 0 -17,-3.0 -17,-1.9 -2,-0.4 2,-0.4 -0.910 16.5-165.5-101.3 123.3 31.7 21.6 4.0 45 108 A V E - I 0 76B 0 31,-2.9 31,-2.3 -2,-0.5 3,-0.1 -0.914 19.9-118.4-111.1 136.2 30.0 24.7 5.4 46 109 A E - 0 0 70 -2,-0.4 3,-0.2 29,-0.2 28,-0.1 -0.156 43.8 -79.8 -61.8 158.9 29.5 28.0 3.4 47 110 A P S S+ 0 0 42 0, 0.0 25,-0.2 0, 0.0 -1,-0.2 -0.293 104.2 17.6 -55.4 143.5 31.0 31.3 4.5 48 111 A N S S+ 0 0 89 23,-2.6 2,-0.5 26,-0.3 22,-0.2 0.948 71.4 159.2 66.7 68.2 29.3 33.3 7.2 49 112 A V E -L 69 0C 18 20,-2.1 20,-3.1 -3,-0.2 2,-0.2 -0.967 28.9-148.3-128.4 114.0 26.9 31.0 9.2 50 113 A T E - 0 0 122 -2,-0.5 17,-0.1 18,-0.2 20,-0.0 -0.547 55.9 -62.5 -71.5 146.1 25.7 31.8 12.7 51 114 A S E S+ 0 0 82 -2,-0.2 2,-0.3 15,-0.1 17,-0.2 0.082 74.6 152.9 -32.6 119.3 25.0 28.8 14.8 52 115 A E E -L 67 0C 89 15,-2.3 15,-2.6 -3,-0.1 2,-0.5 -0.993 44.3-114.3-154.0 152.7 22.2 26.6 13.3 53 116 A T E -L 66 0C 82 -2,-0.3 2,-0.3 13,-0.3 13,-0.3 -0.760 36.7-176.9 -91.2 127.6 21.1 23.0 13.3 54 117 A R E -L 65 0C 51 11,-3.0 11,-2.6 -2,-0.5 2,-0.5 -0.865 23.1-124.1-120.8 159.3 21.3 21.3 10.0 55 118 A S E +L 64 0C 57 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.885 29.4 177.7-102.9 129.8 20.4 17.8 8.8 56 119 A Y E -L 63 0C 17 7,-2.9 7,-3.4 -2,-0.5 2,-0.8 -0.978 30.4-129.6-127.6 147.0 23.0 15.6 7.0 57 120 A T E +L 62 0C 87 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.862 34.9 177.9 -91.9 109.5 22.8 12.1 5.7 58 121 A L E > -L 61 0C 0 3,-2.9 3,-1.8 -2,-0.8 -17,-0.1 -0.978 67.5 -12.5-119.2 124.7 25.8 10.3 7.2 59 122 A F T 3 S- 0 0 51 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.915 130.6 -53.3 49.3 48.9 26.4 6.6 6.5 60 123 A G T 3 S+ 0 0 65 -3,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.303 121.0 96.7 78.4 -8.3 22.9 6.3 5.1 61 124 A T E < S-L 58 0C 77 -3,-1.8 -3,-2.9 -5,-0.0 2,-0.3 -0.898 76.9-111.3-120.5 145.1 21.1 7.8 8.1 62 125 A Q E -L 57 0C 148 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.553 36.8-175.1 -77.4 131.0 19.9 11.4 8.9 63 126 A E E -L 56 0C 55 -7,-3.4 -7,-2.9 -2,-0.3 2,-0.5 -0.966 20.5-137.7-128.5 141.5 21.8 13.2 11.6 64 127 A Q E +L 55 0C 154 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.900 27.4 176.0-101.5 123.2 21.2 16.6 13.2 65 128 A I E -L 54 0C 15 -11,-2.6 -11,-3.0 -2,-0.5 2,-0.7 -0.992 27.7-136.0-130.7 132.8 24.4 18.6 13.7 66 129 A T E +L 53 0C 71 -2,-0.4 2,-0.3 -13,-0.3 -13,-0.3 -0.812 37.0 176.4 -89.6 114.8 24.7 22.2 15.0 67 130 A I E +L 52 0C 3 -15,-2.6 -15,-2.3 -2,-0.7 2,-0.3 -0.777 15.8 179.5-120.2 162.9 27.2 24.0 12.8 68 131 A A E - 0 0 34 -2,-0.3 2,-0.3 -17,-0.2 -18,-0.2 -0.977 14.7-159.4-153.0 155.0 28.7 27.5 12.5 69 132 A N E -L 49 0C 1 -20,-3.1 -20,-2.1 -2,-0.3 -21,-0.1 -0.870 4.0-173.2-139.8 107.5 31.2 29.3 10.3 70 133 A A + 0 0 85 -2,-0.3 2,-0.2 -22,-0.2 -1,-0.1 0.647 56.1 100.5 -75.4 -14.1 32.6 32.5 11.8 71 134 A S - 0 0 18 3,-0.2 -23,-2.6 1,-0.1 -22,-0.1 -0.523 59.8-154.5 -78.2 137.7 34.5 33.5 8.6 72 135 A Q S S+ 0 0 125 -2,-0.2 -1,-0.1 -25,-0.2 -2,-0.0 0.813 92.0 15.2 -75.5 -30.8 32.9 36.1 6.4 73 136 A T S S+ 0 0 115 -26,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.571 108.3 81.2-124.1 -16.1 34.7 35.0 3.2 74 137 A Q - 0 0 23 -28,-0.1 -26,-0.3 1,-0.1 24,-0.2 -0.756 68.2-124.1-104.3 146.4 36.1 31.5 3.7 75 138 A W E - J 0 97B 47 22,-2.7 22,-2.1 -2,-0.3 2,-0.4 -0.336 22.9-139.3 -70.5 162.8 34.6 28.0 3.6 76 139 A K E -IJ 45 96B 38 -31,-2.3 -31,-2.9 20,-0.2 2,-0.5 -0.974 9.3-162.7-132.5 116.8 34.9 25.7 6.6 77 140 A F E -IJ 44 95B 0 18,-2.8 18,-2.1 -2,-0.4 2,-0.4 -0.882 16.8-170.0 -92.1 128.7 35.6 22.0 6.3 78 141 A I E -I 43 0B 3 -35,-2.9 -35,-2.7 -2,-0.5 2,-0.5 -0.981 16.2-142.0-123.0 130.5 34.7 20.2 9.5 79 142 A D E -IJ 42 92B 0 13,-1.8 13,-2.7 -2,-0.4 2,-0.5 -0.796 14.3-162.4 -85.5 128.2 35.4 16.6 10.5 80 143 A V E -IJ 41 91B 1 -39,-3.4 -39,-2.5 -2,-0.5 2,-0.4 -0.962 14.7-178.3-110.0 132.5 32.7 14.9 12.4 81 144 A V E -IJ 40 90B 17 9,-2.4 9,-2.3 -2,-0.5 2,-0.3 -0.990 17.5-175.8-135.9 133.3 33.8 11.8 14.2 82 145 A K E -I 39 0B 20 -43,-1.9 -43,-2.0 -2,-0.4 7,-0.1 -0.960 13.5-156.1-125.4 152.4 32.1 9.1 16.4 83 146 A T S S+ 0 0 94 -2,-0.3 2,-0.3 5,-0.3 6,-0.1 0.389 75.8 38.6-114.4 -2.8 34.0 6.4 18.1 84 147 A T S > S- 0 0 78 4,-0.1 3,-1.6 -45,-0.1 -47,-0.1 -0.957 88.8-107.0-138.2 160.5 31.3 3.7 18.5 85 148 A Q T 3 S+ 0 0 130 -49,-0.3 -1,-0.1 -2,-0.3 -48,-0.1 0.854 120.0 32.3 -54.0 -43.2 28.4 2.7 16.2 86 149 A N T 3 S+ 0 0 150 -3,-0.0 -1,-0.3 2,-0.0 2,-0.0 0.139 97.1 116.5-104.0 20.6 25.7 4.4 18.4 87 150 A G < - 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