==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN, VIRAL PROTEIN 04-AUG-11 3TAY . COMPND 2 MOLECULE: OUTER CAPSID PROTEIN VP4; . SOURCE 2 ORGANISM_SCIENTIFIC: PORCINE ROTAVIRUS; . AUTHOR X.YU,H.BLANCHARD . 326 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 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 2 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 2 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 2 6 0 8 2 2 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 . 2 0 0 0 2 2 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 0 104 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.9 -31.7 28.0 53.8 2 63 A S + 0 0 131 1,-0.2 3,-0.1 3,-0.1 0, 0.0 0.439 360.0 59.8 -88.0 -1.6 -34.3 26.0 52.0 3 64 A L S S+ 0 0 62 1,-0.2 2,-0.5 144,-0.1 -1,-0.2 0.821 101.5 52.6 -89.3 -36.4 -34.6 28.6 49.2 4 65 A L - 0 0 24 143,-0.1 2,-0.4 2,-0.1 143,-0.2 -0.904 68.4-152.5-115.0 118.1 -31.0 28.5 48.0 5 66 A D E -A 146 0A 93 141,-2.8 141,-2.6 -2,-0.5 3,-0.2 -0.763 49.4 -35.0 -85.5 132.6 -29.1 25.3 46.9 6 67 A G E - 0 0 39 -2,-0.4 139,-0.2 1,-0.3 2,-0.1 -0.821 34.4-114.9 127.9-165.4 -25.4 25.5 47.4 7 68 A P E - 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.410 52.0-176.9 -76.2 152.9 -22.8 26.8 47.3 8 69 A Y E -A 144 0A 103 136,-2.9 136,-1.9 -3,-0.2 3,-0.1 -0.813 23.4-110.5-112.9 158.4 -21.3 24.8 44.5 9 70 A Q - 0 0 111 -2,-0.3 131,-0.2 134,-0.2 133,-0.1 -0.388 45.8 -74.8 -86.4 161.1 -17.8 25.1 43.1 10 71 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 131,-0.2 -0.352 76.0 138.9 -52.0 130.4 -16.6 26.4 39.7 11 72 A T E -F 140 0B 50 129,-0.6 129,-2.3 131,-0.2 2,-0.5 -0.973 56.5 -98.6-165.7 166.8 -17.5 23.8 37.1 12 73 A T E +F 139 0B 79 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.918 54.3 150.4-101.6 131.2 -18.9 22.9 33.7 13 74 A F E -F 138 0B 41 125,-2.8 125,-3.4 -2,-0.5 -2,-0.0 -0.990 49.2-128.6-157.8 157.2 -22.6 21.9 33.7 14 75 A N - 0 0 75 -2,-0.3 123,-0.1 123,-0.2 -2,-0.0 -0.863 38.1-153.5-111.4 92.9 -25.9 21.9 31.8 15 76 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.234 18.2-106.3 -68.0 152.8 -28.4 23.5 34.2 16 77 A P > - 0 0 81 0, 0.0 3,-0.6 0, 0.0 92,-0.4 -0.397 43.1 -97.3 -69.5 157.4 -32.1 22.7 34.0 17 78 A T T 3 S+ 0 0 56 1,-0.2 92,-0.2 90,-0.1 132,-0.1 -0.319 103.4 34.5 -68.7 158.6 -34.4 25.4 32.6 18 79 A S T 3 S+ 0 0 39 90,-2.5 131,-2.8 1,-0.2 2,-0.4 0.762 90.8 111.6 65.0 29.1 -36.3 27.7 35.0 19 80 A Y E < -B 148 0A 98 -3,-0.6 89,-0.5 89,-0.4 2,-0.3 -0.997 61.2-136.5-129.1 130.3 -33.5 27.9 37.6 20 81 A W E -BC 147 107A 0 127,-3.4 127,-2.1 -2,-0.4 2,-0.8 -0.674 9.7-144.7 -80.2 135.1 -31.4 31.0 38.4 21 82 A I E -BC 146 106A 3 85,-3.4 85,-1.5 -2,-0.3 2,-0.7 -0.900 15.3-155.4 -99.1 104.4 -27.7 30.4 38.8 22 83 A L E -BC 145 105A 0 123,-2.5 123,-2.5 -2,-0.8 2,-0.3 -0.757 12.3-155.7 -88.6 114.3 -26.7 32.9 41.5 23 84 A L E -BC 144 104A 0 81,-3.2 81,-1.9 -2,-0.7 121,-0.2 -0.714 16.7-168.3-101.5 136.5 -23.0 33.7 41.1 24 85 A A E -B 143 0A 30 119,-2.6 119,-0.5 -2,-0.3 79,-0.1 -0.673 19.0-178.3-123.2 76.1 -20.6 35.0 43.8 25 86 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 117,-0.1 -0.206 15.1-164.9 -73.6 164.5 -17.3 36.1 42.1 26 87 A T + 0 0 100 1,-0.3 2,-0.1 2,-0.0 116,-0.1 0.757 62.5 20.6-111.6 -71.2 -14.2 37.5 43.8 27 88 A V S S- 0 0 109 1,-0.2 -1,-0.3 21,-0.0 19,-0.1 -0.465 92.4 -74.8-101.8 171.7 -11.8 39.3 41.5 28 89 A E S S+ 0 0 83 -2,-0.1 2,-0.3 -3,-0.1 19,-0.2 -0.330 84.6 69.5 -62.7 146.2 -12.0 40.9 38.1 29 90 A G E S-G 46 0B 16 17,-1.4 17,-2.6 29,-0.0 2,-0.6 -0.972 88.2 -13.6 146.7-157.7 -12.3 38.6 35.1 30 91 A V E -G 45 0B 26 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.729 47.3-177.2 -84.1 121.0 -14.6 36.1 33.4 31 92 A V E - 0 0 4 13,-2.9 110,-2.8 -2,-0.6 111,-0.5 0.898 65.0 -16.2 -81.2 -48.4 -17.5 35.1 35.7 32 93 A I E -GH 44 140B 6 12,-1.0 12,-2.4 108,-0.2 -1,-0.3 -0.981 57.7-165.3-160.2 147.7 -19.3 32.5 33.5 33 94 A Q E +GH 43 139B 24 106,-1.8 106,-3.0 -2,-0.3 2,-0.3 -0.977 10.1 168.9-138.7 154.8 -19.4 31.4 29.8 34 95 A G E -GH 42 138B 8 8,-2.8 8,-2.9 -2,-0.3 2,-0.3 -0.970 6.0-174.7-162.1 150.3 -21.7 29.3 27.7 35 96 A T E -GH 41 137B 18 102,-1.0 102,-0.8 -2,-0.3 6,-0.2 -0.981 29.0-151.3-145.0 155.5 -22.3 28.4 24.0 36 97 A N - 0 0 7 4,-1.6 5,-0.1 -2,-0.3 99,-0.1 0.308 46.5-126.1 -99.7 4.1 -24.7 26.5 21.8 37 98 A N S S+ 0 0 126 3,-0.5 4,-0.1 1,-0.1 -2,-0.0 0.742 94.2 71.1 52.9 28.8 -21.8 25.9 19.3 38 99 A I S S- 0 0 75 2,-0.3 -1,-0.1 93,-0.1 3,-0.1 0.572 118.5 -25.3-128.9 -67.5 -24.1 27.4 16.6 39 100 A D S S+ 0 0 51 1,-0.2 2,-0.3 92,-0.2 47,-0.0 0.147 114.3 71.6-147.5 16.6 -24.8 31.2 16.8 40 101 A R + 0 0 47 91,-0.1 -4,-1.6 90,-0.1 2,-0.5 -0.892 38.0 168.5-148.5 109.5 -24.3 32.2 20.4 41 102 A W E +GI 35 84B 29 43,-2.4 43,-2.0 -2,-0.3 2,-0.3 -0.965 26.3 179.5-117.1 107.5 -21.1 32.4 22.4 42 103 A L E +GI 34 83B 15 -8,-2.9 -8,-2.8 -2,-0.5 2,-0.3 -0.858 10.9 159.3-116.8 145.4 -22.0 34.2 25.6 43 104 A A E -GI 33 82B 5 39,-2.1 39,-3.2 -2,-0.3 2,-0.4 -0.976 29.0-134.7-153.4 161.8 -20.0 35.2 28.7 44 105 A T E -GI 32 81B 5 -12,-2.4 -13,-2.9 -2,-0.3 -12,-1.0 -0.995 21.0-166.7-122.0 127.3 -20.1 37.6 31.6 45 106 A I E -GI 30 80B 0 35,-2.6 35,-2.5 -2,-0.4 2,-0.4 -0.766 10.4-140.1-107.8 158.0 -17.0 39.6 32.6 46 107 A L E -GI 29 79B 0 -17,-2.6 -17,-1.4 -2,-0.3 2,-0.5 -0.978 10.4-165.8-124.5 129.8 -16.4 41.6 35.8 47 108 A I E - I 0 78B 0 31,-2.6 31,-2.8 -2,-0.4 3,-0.1 -0.960 18.8-132.4-115.1 127.7 -14.7 45.0 36.1 48 109 A E - 0 0 52 -2,-0.5 3,-0.2 29,-0.2 25,-0.1 -0.243 43.0 -78.8 -66.4 162.8 -13.6 46.4 39.5 49 110 A P S S+ 0 0 31 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.219 107.3 28.2 -60.1 155.2 -14.5 50.0 40.5 50 111 A N S S+ 0 0 99 23,-3.1 2,-0.6 21,-0.2 22,-0.2 0.930 72.6 155.0 62.4 56.6 -12.5 52.9 39.0 51 112 A V E -L 71 0C 10 20,-2.6 20,-2.8 -3,-0.2 -1,-0.2 -0.946 32.1-147.1-117.8 110.9 -11.2 51.6 35.7 52 113 A Q E - 0 0 172 -2,-0.6 17,-0.1 18,-0.2 20,-0.0 -0.423 50.0 -68.3 -67.3 149.8 -10.4 54.1 33.0 53 114 A T E S+ 0 0 90 -2,-0.1 2,-0.3 17,-0.1 17,-0.2 -0.125 78.4 148.9 -42.6 124.4 -11.1 53.0 29.4 54 115 A T E -L 69 0C 57 15,-2.2 15,-2.9 -3,-0.1 2,-0.5 -0.985 50.2-106.3-158.0 156.5 -8.6 50.2 28.6 55 116 A N E -L 68 0C 58 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.840 38.2-177.9 -89.5 125.0 -8.0 47.1 26.6 56 117 A R E -L 67 0C 54 11,-2.5 11,-2.6 -2,-0.5 2,-0.5 -0.960 22.9-129.3-123.0 144.9 -8.0 43.9 28.8 57 118 A I E -L 66 0C 98 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.818 25.6-172.3 -95.9 123.5 -7.4 40.3 27.7 58 119 A Y E -L 65 0C 6 7,-3.2 7,-3.2 -2,-0.5 2,-1.0 -0.930 26.7-127.1-115.3 140.4 -10.0 37.7 28.7 59 120 A N E +L 64 0C 103 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.773 38.3 173.9 -84.4 101.2 -9.8 34.0 28.3 60 121 A L E > -L 63 0C 1 3,-2.7 3,-1.1 -2,-1.0 -17,-0.1 -0.959 68.4 -19.2-117.8 114.9 -13.1 33.2 26.6 61 122 A F T 3 S- 0 0 60 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.832 129.3 -51.0 56.1 37.4 -13.7 29.6 25.4 62 123 A G T 3 S+ 0 0 82 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.575 118.2 110.0 81.6 12.5 -10.0 28.9 25.6 63 124 A Q E < S-L 60 0C 82 -3,-1.1 -3,-2.7 -5,-0.0 2,-0.8 -0.955 72.6-119.8-125.4 138.6 -9.0 32.0 23.5 64 125 A Q E -L 59 0C 128 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.663 38.0-175.5 -74.6 108.8 -7.3 35.3 24.5 65 126 A V E -L 58 0C 0 -7,-3.2 -7,-3.2 -2,-0.8 2,-0.6 -0.942 16.8-145.9-114.3 125.3 -9.9 38.0 23.6 66 127 A T E -L 57 0C 12 172,-3.6 2,-0.4 -2,-0.5 -9,-0.2 -0.814 22.3-179.6 -92.6 120.1 -9.1 41.7 23.9 67 128 A L E -L 56 0C 1 -11,-2.6 -11,-2.5 -2,-0.6 2,-0.8 -0.941 30.1-126.4-121.5 142.0 -12.0 43.8 24.9 68 129 A S E +L 55 0C 46 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.794 45.9 170.5 -86.6 112.0 -12.2 47.6 25.4 69 130 A V E +L 54 0C 2 -15,-2.9 -15,-2.2 -2,-0.8 2,-0.3 -0.817 16.9 173.6-126.1 160.6 -13.7 48.0 29.0 70 131 A E E - 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