==== 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 2P3I . 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) . 7783.0 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 . 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 . 15 9.3 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 89 0, 0.0 2,-1.5 0, 0.0 143,-0.1 0.000 360.0 360.0 360.0 -85.6 51.3 12.8 -9.4 2 65 A L + 0 0 64 143,-0.1 2,-0.7 141,-0.1 143,-0.2 -0.476 360.0 179.5 -73.4 91.9 47.8 14.2 -10.2 3 66 A D E -A 144 0A 78 141,-1.8 141,-2.7 -2,-1.5 3,-0.2 -0.848 37.3 -33.9 -97.2 111.9 45.9 11.1 -11.0 4 67 A G E - 0 0 35 -2,-0.7 139,-0.2 1,-0.2 2,-0.1 -0.923 27.7-119.7 148.1-168.8 42.2 11.9 -11.7 5 68 A P E - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.411 49.9-177.3 -80.7 146.3 39.6 13.2 -11.7 6 69 A Y E -A 142 0A 93 136,-2.9 136,-2.1 -3,-0.2 3,-0.1 -0.846 25.2-115.9-106.2 147.6 37.6 10.1 -10.6 7 70 A Q - 0 0 157 -2,-0.3 131,-0.1 134,-0.2 134,-0.1 -0.409 47.7 -70.9 -83.5 158.2 33.8 10.2 -10.2 8 71 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.171 74.1 133.6 -49.0 133.8 32.0 9.6 -6.8 9 72 A T - 0 0 71 129,-0.3 129,-2.7 131,-0.2 2,-0.5 -0.958 55.5-104.5-168.4 169.3 32.2 6.0 -5.6 10 73 A T E +F 137 0B 76 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.969 54.3 140.2-108.4 128.0 32.9 3.8 -2.7 11 74 A F E -F 136 0B 57 125,-2.3 125,-2.9 -2,-0.5 -2,-0.0 -0.914 55.3-101.3-155.2 179.3 36.3 2.1 -2.7 12 75 A N - 0 0 83 -2,-0.3 123,-0.2 123,-0.2 122,-0.1 -0.870 38.8-152.8-112.1 93.6 39.3 1.1 -0.6 13 76 A P - 0 0 7 0, 0.0 3,-0.1 0, 0.0 121,-0.1 -0.364 23.8-104.4 -68.3 147.6 42.1 3.6 -1.2 14 77 A P > - 0 0 65 0, 0.0 3,-0.7 0, 0.0 92,-0.4 -0.341 40.6 -98.6 -65.0 151.7 45.7 2.4 -0.7 15 78 A V T 3 S+ 0 0 49 1,-0.2 92,-0.2 90,-0.1 132,-0.1 -0.312 105.0 29.8 -62.4 152.4 47.6 3.5 2.4 16 79 A D T 3 S+ 0 0 51 90,-3.3 131,-2.6 1,-0.2 2,-0.4 0.800 93.8 111.9 65.4 31.6 50.0 6.5 2.1 17 80 A Y E < -B 146 0A 91 -3,-0.7 89,-0.5 89,-0.3 2,-0.4 -0.998 62.9-133.0-128.8 136.0 48.0 8.2 -0.7 18 81 A W E -BC 145 105A 0 127,-3.6 127,-2.3 -2,-0.4 2,-0.7 -0.739 10.6-148.7 -83.1 132.7 46.1 11.5 -0.3 19 82 A M E -BC 144 104A 4 85,-2.9 85,-1.6 -2,-0.4 2,-0.6 -0.929 15.9-155.3 -99.5 109.4 42.6 11.5 -1.8 20 83 A L E -BC 143 103A 0 123,-2.6 123,-2.2 -2,-0.7 2,-0.4 -0.811 8.3-155.6 -92.8 116.6 42.1 15.1 -2.9 21 84 A L E -BC 142 102A 0 81,-3.1 81,-1.7 -2,-0.6 121,-0.2 -0.777 13.0-167.1-101.6 137.6 38.4 16.0 -3.0 22 85 A A - 0 0 24 119,-2.4 119,-0.5 -2,-0.4 79,-0.1 -0.610 15.9-178.6-123.1 68.7 36.9 18.8 -5.1 23 86 A P - 0 0 10 0, 0.0 117,-0.1 0, 0.0 3,-0.1 -0.296 16.1-168.3 -67.4 151.1 33.4 19.4 -3.9 24 87 A T + 0 0 116 1,-0.2 2,-0.3 2,-0.1 116,-0.0 0.675 68.1 41.9-107.8 -26.5 31.2 22.0 -5.7 25 88 A A S S- 0 0 63 3,-0.1 -1,-0.2 1,-0.1 19,-0.1 -0.870 89.3 -95.1-122.1 154.4 28.3 22.4 -3.2 26 89 A A S S+ 0 0 37 -2,-0.3 2,-0.3 -3,-0.1 19,-0.2 -0.293 81.0 66.2 -56.1 147.6 27.9 22.6 0.6 27 90 A G E S-G 44 0B 18 17,-1.9 17,-3.0 -4,-0.0 2,-0.2 -0.868 90.7 -8.2 134.2-163.6 27.2 19.3 2.2 28 91 A V E +G 43 0B 33 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.491 50.1 178.0 -72.2 135.0 28.8 15.9 2.9 29 92 A V E - 0 0 2 13,-3.2 110,-2.7 1,-0.4 111,-0.3 0.810 61.4 -13.0-104.9 -45.1 32.1 15.5 1.1 30 93 A V E -GH 42 138B 0 12,-0.9 12,-2.7 108,-0.2 -1,-0.4 -0.981 54.9-167.5-159.7 149.4 33.4 12.1 2.1 31 94 A E E +GH 41 137B 20 106,-1.8 106,-3.0 -2,-0.3 2,-0.3 -0.994 9.5 169.8-144.9 150.2 32.7 9.4 4.7 32 95 A G E +GH 40 136B 3 8,-2.7 8,-2.6 -2,-0.3 2,-0.3 -0.986 3.7 179.2-157.8 148.6 34.6 6.4 5.9 33 96 A T E -GH 39 135B 23 102,-0.8 102,-0.8 -2,-0.3 6,-0.2 -0.986 31.6-151.5-148.6 153.0 34.4 3.8 8.7 34 97 A N - 0 0 18 4,-1.8 5,-0.1 -2,-0.3 -1,-0.1 0.321 48.3-125.8 -97.4 0.2 36.1 0.7 10.0 35 98 A N S S+ 0 0 121 3,-0.6 50,-0.1 1,-0.1 4,-0.1 0.516 93.7 59.4 67.5 10.8 32.7 -0.4 11.5 36 99 A T S S- 0 0 82 2,-0.3 49,-0.4 93,-0.1 -1,-0.1 0.615 120.4 -8.1-129.1 -65.8 34.3 -0.8 15.0 37 100 A D S S+ 0 0 59 1,-0.2 2,-0.3 92,-0.2 47,-0.0 0.292 115.9 57.7-129.2 13.0 35.9 2.3 16.6 38 101 A R + 0 0 29 91,-0.1 -4,-1.8 90,-0.1 -3,-0.6 -0.904 40.1 166.4-153.0 120.3 36.0 5.0 13.9 39 102 A W E +GI 33 82B 14 43,-2.3 43,-1.6 -2,-0.3 2,-0.4 -0.995 16.2 179.7-121.6 133.4 33.4 6.8 11.8 40 103 A L E +GI 32 81B 2 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.4 -0.994 7.7 170.8-136.6 128.0 34.5 9.9 10.0 41 104 A A E -GI 31 80B 0 39,-2.5 39,-3.4 -2,-0.4 2,-0.5 -0.992 21.4-144.5-129.5 143.9 32.5 12.2 7.7 42 105 A T E -GI 30 79B 0 -12,-2.7 -13,-3.2 -2,-0.4 -12,-0.9 -0.934 14.5-164.9-109.6 128.6 33.6 15.6 6.3 43 106 A I E -GI 28 78B 1 35,-2.8 35,-2.7 -2,-0.5 2,-0.6 -0.915 11.0-144.4-111.3 137.9 31.0 18.3 5.9 44 107 A L E -GI 27 77B 0 -17,-3.0 -17,-1.9 -2,-0.4 2,-0.4 -0.906 17.5-165.8-102.7 122.4 31.5 21.5 3.9 45 108 A V E - I 0 76B 0 31,-2.9 31,-2.2 -2,-0.6 3,-0.1 -0.909 19.8-118.3-109.3 137.6 29.8 24.5 5.3 46 109 A E - 0 0 70 -2,-0.4 3,-0.2 29,-0.2 28,-0.1 -0.144 43.7 -80.6 -62.7 159.9 29.3 27.8 3.4 47 110 A P S S+ 0 0 43 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.307 103.1 17.5 -56.9 146.0 30.9 31.1 4.5 48 111 A N S S+ 0 0 98 23,-2.6 2,-0.5 26,-0.3 22,-0.2 0.953 72.3 159.6 64.3 68.3 29.2 33.2 7.3 49 112 A V E -L 69 0C 17 20,-2.1 20,-2.9 -3,-0.2 2,-0.2 -0.969 29.7-146.2-126.4 114.7 26.8 30.9 9.2 50 113 A T E - 0 0 121 -2,-0.5 17,-0.1 18,-0.2 20,-0.0 -0.528 54.6 -64.5 -72.6 146.1 25.6 31.7 12.7 51 114 A S E S+ 0 0 86 -2,-0.2 2,-0.3 15,-0.1 17,-0.2 0.033 75.8 151.8 -34.4 117.6 25.0 28.6 14.9 52 115 A E E -L 67 0C 87 15,-2.3 15,-2.6 -3,-0.1 2,-0.5 -0.992 44.9-112.7-152.7 154.7 22.1 26.5 13.4 53 116 A T E -L 66 0C 82 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.763 36.3-178.5 -92.8 128.8 21.0 22.9 13.3 54 117 A R E -L 65 0C 51 11,-2.8 11,-2.6 -2,-0.5 2,-0.5 -0.875 23.9-124.1-123.1 158.9 21.1 21.1 9.9 55 118 A S E +L 64 0C 49 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.891 30.0 176.0-102.6 131.9 20.2 17.7 8.7 56 119 A Y E -L 63 0C 17 7,-2.7 7,-3.2 -2,-0.5 2,-0.8 -0.983 31.4-127.3-130.6 146.4 22.8 15.5 7.0 57 120 A T E +L 62 0C 78 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.852 35.5 177.0 -90.6 112.1 22.6 11.9 5.7 58 121 A L E > -L 61 0C 1 3,-2.8 3,-1.7 -2,-0.8 -17,-0.1 -0.985 67.8 -11.5-120.5 126.6 25.7 10.2 7.2 59 122 A F T 3 S- 0 0 52 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.895 131.2 -53.7 49.4 44.1 26.2 6.5 6.6 60 123 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.368 119.5 98.0 81.3 -2.9 22.7 6.2 5.2 61 124 A T E < S-L 58 0C 84 -3,-1.7 -3,-2.8 -5,-0.0 2,-0.4 -0.913 76.7-109.1-123.8 146.5 20.9 7.8 8.1 62 125 A Q E -L 57 0C 117 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.567 38.9-175.8 -73.9 126.9 19.6 11.3 8.8 63 126 A E E -L 56 0C 55 -7,-3.2 -7,-2.7 -2,-0.4 2,-0.5 -0.970 21.4-139.4-126.6 141.3 21.6 13.1 11.5 64 127 A Q E +L 55 0C 126 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.886 27.7 175.9 -98.5 124.2 21.0 16.5 13.2 65 128 A I E -L 54 0C 16 -11,-2.6 -11,-2.8 -2,-0.5 2,-0.6 -0.993 27.8-134.6-130.2 135.4 24.2 18.5 13.7 66 129 A T E +L 53 0C 72 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.812 37.1 174.9 -89.9 119.1 24.7 22.0 15.0 67 130 A I E +L 52 0C 2 -15,-2.6 -15,-2.3 -2,-0.6 2,-0.3 -0.811 15.5 178.7-123.7 162.2 27.1 23.9 12.8 68 131 A A E - 0 0 34 -2,-0.3 2,-0.3 -17,-0.2 -18,-0.2 -0.974 15.3-158.4-151.4 157.2 28.6 27.4 12.5 69 132 A N E -L 49 0C 1 -20,-2.9 -20,-2.1 -2,-0.3 -21,-0.1 -0.846 3.9-173.2-139.9 108.0 31.1 29.2 10.3 70 133 A A + 0 0 97 -2,-0.3 2,-0.3 -22,-0.2 -1,-0.1 0.642 56.4 101.7 -74.4 -14.5 32.5 32.3 11.8 71 134 A S - 0 0 18 3,-0.2 -23,-2.6 1,-0.1 -22,-0.1 -0.531 59.7-154.9 -76.2 133.6 34.4 33.3 8.6 72 135 A Q S S+ 0 0 152 -2,-0.3 -1,-0.1 -25,-0.2 -2,-0.0 0.834 91.9 14.0 -68.4 -34.0 32.8 36.0 6.4 73 136 A T S S+ 0 0 113 -26,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.606 108.2 81.2-123.7 -19.3 34.5 34.8 3.2 74 137 A Q - 0 0 22 -28,-0.1 -26,-0.3 1,-0.1 24,-0.2 -0.721 68.6-122.6-102.2 147.7 36.0 31.3 3.7 75 138 A W E - J 0 97B 47 22,-2.6 22,-2.0 -2,-0.3 2,-0.4 -0.339 23.2-138.8 -69.8 161.7 34.4 27.9 3.6 76 139 A K E -IJ 45 96B 38 -31,-2.2 -31,-2.9 20,-0.2 2,-0.5 -0.974 9.3-162.3-131.7 116.7 34.7 25.6 6.5 77 140 A F E -IJ 44 95B 0 18,-2.7 18,-2.0 -2,-0.4 2,-0.4 -0.883 16.4-169.3 -93.3 127.1 35.4 21.8 6.3 78 141 A I E -I 43 0B 4 -35,-2.7 -35,-2.8 -2,-0.5 2,-0.5 -0.968 16.8-142.3-119.3 130.8 34.5 20.1 9.5 79 142 A D E -IJ 42 92B 0 13,-1.8 13,-2.2 -2,-0.4 2,-0.5 -0.828 15.8-164.0 -87.5 125.7 35.3 16.5 10.4 80 143 A V E +IJ 41 91B 0 -39,-3.4 -39,-2.5 -2,-0.5 2,-0.3 -0.957 17.8 176.9-109.2 126.8 32.4 14.8 12.3 81 144 A V E -IJ 40 90B 4 9,-2.5 9,-2.6 -2,-0.5 2,-0.3 -0.957 22.0-172.2-133.0 148.8 33.5 11.7 14.1 82 145 A K E -I 39 0B 24 -43,-1.6 -43,-2.3 -2,-0.3 7,-0.1 -0.953 13.5-155.0-132.4 159.5 32.1 9.0 16.4 83 146 A T S S+ 0 0 79 -2,-0.3 2,-0.3 5,-0.3 6,-0.1 0.382 78.8 37.2-119.7 -0.5 34.1 6.2 18.1 84 147 A T S > S- 0 0 78 4,-0.1 3,-1.4 1,-0.1 -1,-0.1 -0.963 88.3-107.7-140.7 160.6 31.3 3.6 18.6 85 148 A Q T 3 S+ 0 0 130 -49,-0.4 -1,-0.1 -2,-0.3 -48,-0.1 0.857 119.0 32.0 -54.3 -43.9 28.4 2.6 16.4 86 149 A N T 3 S+ 0 0 151 -3,-0.0 -1,-0.3 2,-0.0 0, 0.0 0.278 96.6 117.0-102.2 13.1 25.7 4.3 18.6 87 150 A G < - 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