==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 07-AUG-12 4GH4 . COMPND 2 MOLECULE: CAPSID PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: FOOT-AND-MOUTH DISEASE VIRUS - TYPE A; . AUTHOR A.KOTECHA,R.JINSHAN,S.CURRY,E.FRY,D.STUART . 664 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 53.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 25.3 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 56 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 2 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 7 3 1 2 5 2 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 3 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 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 1 A T 0 0 56 0, 0.0 2,-0.4 0, 0.0 662,-0.1 0.000 360.0 360.0 360.0 146.2 20.6 42.7 112.0 2 2 A T + 0 0 104 660,-0.1 2,-0.3 2,-0.0 663,-0.0 -0.969 360.0 157.1-118.8 132.5 17.5 42.9 114.2 3 3 A T - 0 0 56 -2,-0.4 2,-1.2 661,-0.0 3,-0.1 -0.931 52.6 -89.5-147.7 165.5 15.8 39.6 115.2 4 4 A T >> - 0 0 87 -2,-0.3 3,-0.8 1,-0.2 4,-0.5 -0.751 39.5-164.8 -85.0 101.3 13.6 38.2 117.8 5 5 A G G >4 S+ 0 0 46 -2,-1.2 3,-0.9 1,-0.2 -1,-0.2 0.785 75.4 68.4 -54.3 -37.2 16.2 37.0 120.3 6 6 A E G 34 S+ 0 0 27 1,-0.2 323,-2.3 2,-0.1 -1,-0.2 0.798 88.5 63.1 -58.4 -34.0 14.0 34.7 122.4 7 7 A S G <4 S- 0 0 9 -3,-0.8 -1,-0.2 321,-0.2 -2,-0.2 0.831 95.2-142.7 -61.4 -36.1 13.5 32.1 119.6 8 8 A A << + 0 0 27 -3,-0.9 -2,-0.1 -4,-0.5 -1,-0.1 0.556 40.2 158.7 83.1 9.9 17.3 31.5 119.8 9 9 A D - 0 0 107 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.442 51.9 -97.2 -62.6 137.3 17.6 31.0 116.1 10 10 A P - 0 0 42 0, 0.0 650,-2.1 0, 0.0 2,-0.4 -0.273 39.5-166.6 -58.2 138.1 21.2 31.5 115.1 11 11 A V B -a 660 0A 59 648,-0.3 2,-0.6 -3,-0.1 650,-0.2 -0.969 9.6-179.4-131.9 115.7 22.0 35.0 113.7 12 12 A T - 0 0 83 648,-2.7 650,-0.3 -2,-0.4 2,-0.1 -0.841 11.8-171.0-119.0 94.6 25.3 35.6 111.9 13 13 A T - 0 0 75 -2,-0.6 2,-0.3 648,-0.2 648,-0.1 -0.376 11.9-140.0 -77.9 163.4 25.5 39.2 110.8 14 14 A T > - 0 0 43 -2,-0.1 3,-1.3 648,-0.1 4,-0.3 -0.819 23.8-113.8-130.7 161.7 28.3 40.4 108.5 15 15 A V G > >S+ 0 0 55 -2,-0.3 5,-2.7 1,-0.3 3,-1.1 0.704 107.1 76.6 -63.7 -22.5 30.7 43.4 108.0 16 16 A E G > 5S+ 0 0 86 3,-0.3 3,-2.8 1,-0.3 -1,-0.3 0.830 75.2 76.5 -59.5 -35.3 28.9 44.1 104.7 17 17 A N G < 5S+ 0 0 58 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.844 106.8 31.2 -48.8 -40.0 26.0 45.6 106.7 18 18 A Y G < 5S- 0 0 188 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 -0.046 135.1 -79.4-109.5 33.1 28.1 48.8 107.2 19 19 A G T < 5S+ 0 0 74 -3,-2.8 -3,-0.3 1,-0.2 -2,-0.1 0.500 90.1 124.8 90.4 5.7 30.1 48.6 103.9 20 20 A G < - 0 0 29 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.169 53.0-125.0 -87.0-173.6 32.7 46.0 104.8 21 21 A E - 0 0 142 -6,-0.1 -1,-0.0 -2,-0.0 0, 0.0 -0.965 18.6-119.6-139.7 125.6 33.6 42.8 102.9 22 22 A T - 0 0 80 -2,-0.4 2,-0.4 1,-0.1 -8,-0.0 -0.237 30.1-137.9 -62.9 144.2 33.8 39.3 104.3 23 23 A Q - 0 0 136 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.889 23.0 -95.9-116.1 139.9 37.2 37.6 104.0 24 24 A V - 0 0 121 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 -0.106 41.0-152.5 -58.8 138.0 38.0 34.0 103.0 25 25 A Q - 0 0 118 2,-0.0 2,-0.5 0, 0.0 -1,-0.1 -0.928 14.4-163.5-119.5 134.2 38.4 31.6 105.9 26 26 A R + 0 0 191 -2,-0.4 3,-0.2 1,-0.1 -2,-0.0 -0.968 11.6 175.4-112.6 119.0 40.4 28.4 106.2 27 27 A R > + 0 0 171 -2,-0.5 3,-0.9 1,-0.2 4,-0.3 0.067 35.8 121.8-112.9 31.6 39.4 26.3 109.2 28 28 A Q G > S+ 0 0 121 1,-0.3 3,-1.4 2,-0.2 6,-0.2 0.850 74.2 58.6 -60.4 -37.6 41.4 23.0 109.0 29 29 A H G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.813 103.4 50.1 -63.4 -32.4 42.9 23.6 112.4 30 30 A T G < S+ 0 0 109 -3,-0.9 -1,-0.3 4,-0.1 2,-0.2 0.397 81.3 123.4 -88.1 1.1 39.6 23.7 114.2 31 31 A D <> - 0 0 80 -3,-1.4 4,-2.9 -4,-0.3 5,-0.2 -0.480 63.8-135.0 -68.3 131.5 38.5 20.5 112.5 32 32 A V H > S+ 0 0 59 1,-0.2 4,-1.7 -2,-0.2 5,-0.2 0.894 99.6 45.6 -56.5 -49.5 37.6 17.9 115.2 33 33 A T H > S+ 0 0 37 1,-0.2 4,-0.7 2,-0.2 131,-0.3 0.920 117.3 46.1 -64.1 -41.7 39.4 14.8 113.9 34 34 A F H >4 S+ 0 0 50 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.940 112.2 48.0 -64.4 -49.8 42.5 16.8 113.1 35 35 A I H 3< S+ 0 0 33 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 113.2 47.8 -68.0 -26.1 42.8 18.7 116.4 36 36 A M H 3< S+ 0 0 0 -4,-1.7 2,-1.8 -5,-0.2 125,-1.0 0.615 88.5 95.7 -86.7 -12.7 42.2 15.5 118.5 37 37 A D << + 0 0 0 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.1 -0.503 65.3 86.4 -84.6 74.0 44.8 13.6 116.5 38 38 A R S S- 0 0 66 -2,-1.8 123,-0.5 121,-0.1 2,-0.2 -0.971 80.1 -90.2-165.1 154.2 47.9 14.1 118.6 39 39 A F + 0 0 57 -2,-0.3 2,-0.3 121,-0.2 121,-0.2 -0.502 41.5 178.4 -75.4 134.8 49.7 12.5 121.6 40 40 A V E -B 159 0B 30 119,-2.0 119,-2.7 -2,-0.2 2,-0.1 -0.969 26.7-107.1-135.6 147.4 48.9 13.7 125.1 41 41 A K E -B 158 0B 108 -2,-0.3 16,-0.5 117,-0.2 2,-0.4 -0.326 14.0-152.1 -74.9 154.4 50.1 12.5 128.5 42 42 A I E -B 157 0B 6 115,-1.6 115,-0.5 1,-0.1 14,-0.1 -0.999 13.0-166.6-122.5 128.0 48.3 10.5 131.2 43 43 A Q + 0 0 127 12,-0.6 2,-1.3 -2,-0.4 -1,-0.1 0.907 63.8 65.2 -87.3 -47.9 49.6 11.3 134.7 44 44 A N + 0 0 129 11,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.662 69.2 170.7 -86.9 98.2 48.5 8.8 137.3 45 45 A L + 0 0 37 -2,-1.3 4,-0.1 110,-0.1 -2,-0.0 -0.738 16.7 175.2-109.7 155.1 50.1 5.6 136.3 46 46 A N - 0 0 98 -2,-0.3 107,-0.1 107,-0.0 105,-0.1 -0.959 49.7-100.7-147.6 154.3 50.5 2.1 138.0 47 47 A P S S+ 0 0 63 0, 0.0 104,-1.9 0, 0.0 2,-0.5 0.771 121.1 46.4 -50.2 -28.9 52.0 -1.1 136.7 48 48 A T E S+F 150 0C 48 102,-0.2 2,-0.4 104,-0.1 102,-0.2 -0.983 83.4 173.7-115.2 118.9 48.5 -2.2 136.0 49 49 A H E -F 149 0C 6 100,-2.9 100,-2.9 -2,-0.5 2,-0.6 -0.982 28.1-146.6-136.4 127.7 46.6 0.6 134.2 50 50 A V E -F 148 0C 61 -2,-0.4 2,-0.5 98,-0.2 98,-0.3 -0.813 30.7-121.5 -93.0 121.7 43.1 0.8 132.7 51 51 A I + 0 0 1 96,-2.1 95,-2.5 -2,-0.6 2,-0.4 -0.468 42.8 163.7 -67.4 111.2 43.0 3.2 129.7 52 52 A D > - 0 0 43 -2,-0.5 3,-3.3 93,-0.2 4,-0.2 -0.919 32.8-153.1-135.9 103.0 40.5 5.9 130.4 53 53 A L G > S+ 0 0 2 -2,-0.4 3,-1.6 1,-0.3 13,-0.1 0.674 93.7 73.1 -50.8 -17.6 40.6 9.0 128.2 54 54 A M G 3 S+ 0 0 36 1,-0.3 -1,-0.3 12,-0.1 4,-0.1 0.611 79.7 75.7 -77.1 -5.7 39.1 10.9 131.2 55 55 A Q G < S+ 0 0 67 -3,-3.3 -12,-0.6 2,-0.1 -1,-0.3 0.562 73.7 106.4 -74.0 -12.6 42.5 10.5 132.8 56 56 A T S < S- 0 0 6 -3,-1.6 -14,-0.1 -4,-0.2 2,-0.0 -0.367 89.6 -87.1 -67.2 148.6 43.7 13.3 130.4 57 57 A H > - 0 0 109 -16,-0.5 3,-1.2 1,-0.1 -1,-0.1 -0.335 30.7-131.7 -62.2 137.2 44.3 16.7 132.0 58 58 A Q T 3 S+ 0 0 114 1,-0.3 -1,-0.1 5,-0.1 9,-0.1 0.672 105.9 37.7 -64.0 -22.2 41.2 18.8 132.2 59 59 A H T 3 S+ 0 0 133 4,-0.1 -1,-0.3 5,-0.1 -2,-0.1 0.293 91.7 113.1-110.7 7.1 42.9 21.9 130.8 60 60 A G S <> S- 0 0 26 -3,-1.2 4,-3.2 1,-0.1 5,-0.4 -0.348 82.2-106.8 -73.9 159.7 45.1 20.1 128.3 61 61 A L H > S+ 0 0 100 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.955 120.7 26.9 -53.1 -55.6 44.4 20.6 124.6 62 62 A V H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.943 120.5 56.6 -74.7 -45.6 42.9 17.2 124.1 63 63 A G H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.891 112.6 40.6 -50.7 -46.9 41.7 16.8 127.7 64 64 A A H X S+ 0 0 16 -4,-3.2 4,-1.0 2,-0.2 -1,-0.2 0.870 115.2 50.2 -71.2 -42.2 39.6 20.0 127.6 65 65 A L H < S+ 0 0 46 -4,-1.4 -2,-0.2 -5,-0.4 -1,-0.2 0.851 110.4 50.6 -63.9 -38.5 38.3 19.5 124.1 66 66 A L H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.931 109.8 50.6 -65.9 -43.9 37.2 16.0 124.9 67 67 A R H 3< S+ 0 0 64 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.736 96.8 70.2 -63.7 -24.0 35.4 17.3 128.0 68 68 A A T 3< S+ 0 0 14 -4,-1.0 102,-2.0 101,-0.1 2,-0.3 0.176 96.0 64.8 -85.0 17.6 33.7 19.9 125.9 69 69 A A E < -C 169 0B 3 -3,-1.3 99,-0.2 100,-0.3 59,-0.2 -0.955 68.3-151.1-134.1 151.0 31.6 17.1 124.3 70 70 A T E S+ 0 0 0 97,-2.1 58,-2.0 98,-0.7 59,-0.6 0.897 83.4 26.2 -88.1 -46.1 29.1 14.8 125.9 71 71 A Y E +CD 167 127B 8 96,-1.3 96,-2.6 56,-0.2 2,-0.3 -0.884 69.3 169.4-121.9 147.2 29.6 11.7 123.6 72 72 A Y E -CD 166 126B 2 54,-2.0 54,-2.9 -2,-0.3 2,-0.3 -0.969 16.1-163.8-152.1 164.0 32.5 10.6 121.6 73 73 A F E +C 165 0B 16 92,-1.9 92,-2.2 -2,-0.3 2,-0.3 -0.985 23.3 139.1-149.1 144.8 34.0 7.7 119.6 74 74 A S E - 0 0 0 -2,-0.3 89,-0.2 90,-0.2 2,-0.1 -0.953 41.1-120.4-177.9 160.1 37.5 6.9 118.5 75 75 A D E -C 162 0B 2 87,-3.0 87,-2.0 -2,-0.3 2,-0.3 -0.333 41.8-133.3 -92.8-175.1 40.2 4.4 117.9 76 76 A L E -CE 161 117B 2 41,-2.5 41,-3.1 85,-0.2 2,-0.4 -0.974 23.9-163.6-150.9 158.5 43.5 4.8 119.6 77 77 A E E -CE 160 116B 21 83,-1.7 83,-2.1 -2,-0.3 2,-0.3 -0.982 21.1-168.9-133.7 139.4 47.3 4.8 119.6 78 78 A I E -CE 159 115B 0 37,-2.2 37,-2.6 -2,-0.4 2,-0.5 -0.959 14.5-156.2-131.3 152.0 49.4 4.6 122.7 79 79 A V E -CE 158 114B 16 79,-2.0 79,-2.2 -2,-0.3 2,-0.4 -0.997 19.7-173.2-125.3 123.0 53.1 5.1 123.6 80 80 A V E -CE 157 113B 0 33,-2.7 33,-2.8 -2,-0.5 2,-0.7 -0.977 20.6-159.4-126.7 129.4 54.3 3.3 126.7 81 81 A R E +C 156 0B 96 75,-1.9 74,-2.5 -2,-0.4 75,-1.3 -0.941 38.5 159.4-101.2 113.4 57.7 3.5 128.4 82 82 A H E -C 154 0B 4 -2,-0.7 2,-0.5 72,-0.2 72,-0.2 -0.905 43.1-130.7-138.2 158.1 57.8 0.3 130.4 83 83 A D E S+C 153 0B 72 70,-2.3 69,-1.6 -2,-0.3 70,-1.1 -0.938 84.1 5.0-108.5 131.7 60.1 -2.2 132.2 84 84 A G S S- 0 0 26 -2,-0.5 2,-0.2 67,-0.2 -2,-0.1 -0.393 114.6 -35.5 85.6-174.3 59.5 -5.8 131.3 85 85 A N - 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