==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN, VIRAL PROTEIN 20-JUN-11 3SIS . COMPND 2 MOLECULE: OUTER CAPSID PROTEIN VP4; . SOURCE 2 ORGANISM_SCIENTIFIC: PORCINE ROTAVIRUS; . AUTHOR H.BLANCHARD,X.YU . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 42.5 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 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 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 . 1 1 4 4 1 7 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 88 0, 0.0 3,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.0 14.4 46.1 -24.6 2 63 A S T 3 + 0 0 116 1,-0.2 3,-0.1 3,-0.1 0, 0.0 0.600 360.0 48.9 -72.7 -11.7 16.6 49.0 -23.5 3 64 A L T 3 S+ 0 0 37 1,-0.2 2,-0.5 144,-0.1 -1,-0.2 0.356 101.4 73.8-102.7 2.7 14.6 49.1 -20.2 4 65 A L < - 0 0 27 -3,-1.1 2,-0.2 143,-0.1 143,-0.2 -0.791 63.5-168.2-126.9 88.5 14.8 45.4 -19.6 5 66 A D E -A 146 0A 84 141,-2.2 141,-2.0 -2,-0.5 3,-0.2 -0.533 45.9 -20.7 -73.4 139.8 18.2 44.0 -18.5 6 67 A G E - 0 0 40 1,-0.3 139,-0.2 139,-0.2 2,-0.1 -0.793 36.9-124.1 119.2-163.8 18.6 40.2 -18.6 7 68 A P E - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.402 50.3-172.9 -72.1 149.7 17.3 37.6 -18.6 8 69 A Y E -A 144 0A 94 136,-2.9 136,-2.0 -3,-0.2 3,-0.1 -0.853 20.4-117.7-111.6 150.3 19.2 36.4 -15.5 9 70 A Q - 0 0 128 -2,-0.3 131,-0.1 134,-0.2 133,-0.1 -0.451 46.6 -71.5 -86.6 159.2 19.2 32.9 -14.2 10 71 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 131,-0.2 -0.255 74.4 149.6 -47.7 129.2 17.9 31.7 -10.8 11 72 A T E -F 140 0B 56 129,-0.5 129,-2.3 131,-0.2 2,-0.5 -0.954 50.8-110.1-157.4 165.6 20.4 33.0 -8.3 12 73 A T E +F 139 0B 87 -2,-0.3 2,-0.3 127,-0.2 127,-0.3 -0.959 54.3 145.6-106.9 125.1 20.8 34.2 -4.7 13 74 A F E -F 138 0B 42 125,-3.1 125,-3.3 -2,-0.5 -2,-0.0 -0.977 54.7-116.9-156.5 161.1 21.6 37.9 -4.5 14 75 A N - 0 0 76 -2,-0.3 123,-0.2 123,-0.2 122,-0.1 -0.858 42.2-141.6-105.2 93.5 21.2 41.2 -2.6 15 76 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.0 -0.159 16.6-112.7 -59.1 145.5 19.2 43.3 -5.1 16 77 A P > - 0 0 72 0, 0.0 3,-0.8 0, 0.0 92,-0.4 -0.514 39.5 -99.2 -74.0 151.1 20.1 47.0 -5.3 17 78 A T T 3 S+ 0 0 49 1,-0.2 92,-0.2 -2,-0.2 132,-0.1 -0.243 101.9 29.0 -69.0 158.0 17.4 49.5 -4.1 18 79 A S T 3 S+ 0 0 39 90,-2.4 131,-2.3 1,-0.2 2,-0.5 0.647 94.2 113.7 64.8 18.9 15.1 51.4 -6.5 19 80 A Y E < -B 148 0A 95 -3,-0.8 89,-0.5 89,-0.4 2,-0.4 -0.982 62.2-136.6-119.7 127.9 15.3 48.5 -9.0 20 81 A W E -B 147 0A 0 127,-3.0 127,-2.2 -2,-0.5 2,-0.8 -0.672 11.3-146.0 -78.0 134.2 12.3 46.4 -10.0 21 82 A I E -BC 146 106A 0 85,-3.4 85,-1.8 -2,-0.4 2,-0.7 -0.912 14.5-154.5-100.1 107.2 13.1 42.7 -10.2 22 83 A L E -BC 145 105A 0 123,-2.2 123,-2.8 -2,-0.8 2,-0.3 -0.775 10.4-155.7 -91.0 116.7 10.8 41.4 -13.0 23 84 A L E -BC 144 104A 0 81,-3.6 81,-1.9 -2,-0.7 121,-0.2 -0.724 15.1-170.8-100.8 136.2 10.2 37.7 -12.5 24 85 A A + 0 0 27 119,-2.5 119,-0.5 -2,-0.3 79,-0.1 -0.613 17.0 176.7-125.4 72.9 9.2 35.3 -15.3 25 86 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 117,-0.1 -0.242 18.0-165.2 -75.9 164.8 8.2 31.9 -13.8 26 87 A T + 0 0 105 1,-0.2 2,-0.3 2,-0.1 116,-0.0 0.717 65.7 30.7-116.8 -41.3 6.9 28.9 -15.8 27 88 A V S S- 0 0 108 1,-0.1 -1,-0.2 21,-0.0 19,-0.1 -0.765 90.3 -82.7-120.6 164.7 5.3 26.5 -13.3 28 89 A E S S+ 0 0 86 -2,-0.3 2,-0.3 -3,-0.1 19,-0.2 -0.316 82.2 67.2 -61.9 147.9 3.5 26.6 -10.0 29 90 A G E S-G 46 0B 17 17,-1.6 17,-2.6 29,-0.0 2,-0.5 -0.944 90.3 -9.8 141.4-157.7 5.7 26.9 -6.8 30 91 A V E +G 45 0B 29 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.643 48.7 178.9 -79.5 124.0 8.0 29.3 -5.1 31 92 A V E - 0 0 2 13,-3.0 110,-3.0 -2,-0.5 111,-0.5 0.903 66.0 -14.3 -86.3 -52.8 8.9 32.2 -7.4 32 93 A I E -GH 44 140B 4 12,-1.2 12,-2.7 108,-0.2 -1,-0.4 -0.982 55.8-165.0-153.8 148.1 11.2 34.2 -5.0 33 94 A Q E +GH 43 139B 24 106,-1.8 106,-2.9 -2,-0.3 2,-0.3 -0.978 12.5 172.6-136.5 152.9 12.1 34.3 -1.3 34 95 A G E +GH 42 138B 3 8,-3.0 8,-2.8 -2,-0.3 2,-0.3 -0.990 3.7 178.4-158.1 152.5 13.9 36.9 0.7 35 96 A T E -GH 41 137B 11 102,-1.8 102,-2.2 -2,-0.3 6,-0.2 -0.993 34.1-149.5-155.6 155.4 14.9 37.8 4.3 36 97 A N - 0 0 11 4,-1.4 5,-0.1 -2,-0.3 -1,-0.1 0.297 49.7-125.9-101.0 2.0 16.7 40.2 6.5 37 98 A N S S+ 0 0 116 3,-0.6 4,-0.1 1,-0.1 -2,-0.0 0.651 94.3 67.2 62.8 20.1 17.4 37.3 8.9 38 99 A I S S- 0 0 110 2,-0.3 -1,-0.1 93,-0.1 3,-0.1 0.625 119.0 -18.5-128.8 -58.0 15.8 39.3 11.8 39 100 A D S S+ 0 0 49 1,-0.2 2,-0.3 92,-0.2 92,-0.0 0.205 113.1 67.5-152.6 15.3 12.1 39.9 11.5 40 101 A R + 0 0 41 90,-0.1 -4,-1.4 91,-0.1 -3,-0.6 -0.929 38.9 171.4-146.4 120.4 10.9 39.4 7.9 41 102 A W E +GI 35 84B 26 43,-2.4 43,-2.1 -2,-0.3 2,-0.4 -0.963 22.0 176.2-122.0 110.3 10.8 36.2 5.9 42 103 A L E +GI 34 83B 9 -8,-2.8 -8,-3.0 -2,-0.5 2,-0.3 -0.934 7.8 164.8-120.7 135.1 9.0 36.9 2.7 43 104 A A E -GI 33 82B 1 39,-2.5 39,-2.7 -2,-0.4 2,-0.4 -0.914 26.2-137.9-135.5 166.6 8.3 34.7 -0.4 44 105 A T E -GI 32 81B 2 -12,-2.7 -13,-3.0 -2,-0.3 -12,-1.2 -1.000 19.4-166.0-123.7 130.3 6.1 34.8 -3.4 45 106 A I E -GI 30 80B 0 35,-2.5 35,-2.1 -2,-0.4 2,-0.4 -0.787 11.4-137.8-109.7 158.2 4.3 31.6 -4.5 46 107 A L E -GI 29 79B 0 -17,-2.6 -17,-1.6 -2,-0.3 2,-0.5 -0.970 12.8-167.2-121.2 131.8 2.6 30.9 -7.9 47 108 A I E - I 0 78B 0 31,-2.7 31,-2.9 -2,-0.4 3,-0.1 -0.979 17.9-133.7-121.4 125.8 -0.7 29.1 -8.3 48 109 A E - 0 0 52 -2,-0.5 3,-0.2 29,-0.2 28,-0.1 -0.161 41.4 -79.4 -67.5 166.0 -1.9 27.9 -11.7 49 110 A P S S+ 0 0 29 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.234 107.1 32.3 -65.3 160.1 -5.6 28.6 -12.7 50 111 A N S S+ 0 0 102 23,-3.0 2,-0.5 21,-0.2 22,-0.2 0.946 71.4 148.8 59.8 58.1 -8.4 26.4 -11.5 51 112 A V E -L 71 0C 11 20,-2.9 20,-2.9 22,-0.2 -1,-0.2 -0.933 33.2-152.8-124.0 105.4 -7.2 25.4 -8.0 52 113 A Q E - 0 0 173 -2,-0.5 17,-0.1 18,-0.2 20,-0.0 -0.481 51.5 -63.5 -71.5 149.1 -10.0 24.8 -5.4 53 114 A T E S+ 0 0 92 -2,-0.1 2,-0.3 15,-0.1 17,-0.2 0.008 78.8 148.5 -38.3 124.9 -8.9 25.4 -1.8 54 115 A T E -L 69 0C 61 15,-2.0 15,-2.7 -3,-0.1 2,-0.5 -0.985 50.8-104.8-159.7 151.2 -6.2 22.9 -0.8 55 116 A N E -L 68 0C 60 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.727 40.9-176.1 -79.3 126.8 -3.1 22.4 1.3 56 117 A R E -L 67 0C 49 11,-2.9 11,-2.8 -2,-0.5 2,-0.5 -0.968 21.7-129.0-125.4 146.6 0.1 22.6 -0.7 57 118 A I E -L 66 0C 102 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.803 26.2-176.3 -95.5 129.1 3.7 22.0 0.3 58 119 A Y E -L 65 0C 4 7,-3.0 7,-3.1 -2,-0.5 2,-0.9 -0.962 28.7-126.4-123.7 142.1 6.2 24.7 -0.6 59 120 A N E +L 64 0C 100 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.800 38.4 174.6 -85.4 104.3 10.0 24.7 -0.0 60 121 A L E > -L 63 0C 0 3,-2.5 3,-0.9 -2,-0.9 -17,-0.0 -0.961 66.4 -19.4-121.6 118.3 10.6 28.0 1.8 61 122 A F T 3 S- 0 0 56 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.884 130.4 -48.7 51.1 43.2 14.1 28.8 3.1 62 123 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.605 119.3 92.6 79.5 14.3 15.1 25.2 3.0 63 124 A Q E < S-L 60 0C 77 -3,-0.9 -3,-2.5 -5,-0.1 2,-0.5 -0.983 78.8-102.0-139.2 155.7 12.0 23.6 4.7 64 125 A Q E -L 59 0C 137 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.599 39.2-175.4 -75.9 118.2 8.6 22.1 3.9 65 126 A V E -L 58 0C 0 -7,-3.1 -7,-3.0 -2,-0.5 2,-0.6 -0.975 14.5-147.0-119.3 127.1 5.9 24.6 4.6 66 127 A T E +L 57 0C 13 168,-3.3 2,-0.4 -2,-0.5 -9,-0.2 -0.836 22.2 178.4 -98.2 123.3 2.2 23.7 4.2 67 128 A L E -L 56 0C 1 -11,-2.8 -11,-2.9 -2,-0.6 2,-0.8 -0.952 31.1-127.2-127.3 142.7 -0.1 26.5 3.0 68 129 A S E +L 55 0C 49 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.794 45.6 167.1 -88.9 111.2 -3.8 26.6 2.3 69 130 A V E -L 54 0C 2 -15,-2.7 -15,-2.0 -2,-0.8 2,-0.3 -0.787 18.0-178.7-127.1 161.2 -4.1 28.1 -1.2 70 131 A E E - 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