==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 04-MAR-13 4JGY . COMPND 2 MOLECULE: POLYPROTEIN, CAPSID PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS A16; . AUTHOR J.REN,X.WANG,Z.HU,Q.GAO,Y.SUN,X.LI,C.PORTA,T.S.WALTER,R.J.GI . 698 6 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 186 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 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-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 . 1 0.1 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 . 79 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 2 1 0 1 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 . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 6 2 1 7 4 2 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 1 0 2 0 1 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 N 0 0 135 0, 0.0 653,-0.6 0, 0.0 655,-0.1 0.000 360.0 360.0 360.0-175.6 29.2 -9.6 143.7 2 63 A L B +a 654 0A 35 651,-0.1 2,-0.8 653,-0.1 653,-0.2 -0.501 360.0 179.2-145.4 69.2 26.5 -9.0 141.1 3 64 A I - 0 0 60 651,-1.0 2,-1.4 1,-0.1 650,-0.0 -0.647 16.9-155.0 -75.9 110.6 25.9 -5.3 140.3 4 65 A E + 0 0 64 -2,-0.8 2,-0.2 651,-0.1 3,-0.1 -0.511 56.1 91.0 -91.6 70.3 23.2 -5.3 137.7 5 66 A T + 0 0 84 -2,-1.4 -2,-0.0 1,-0.2 605,-0.0 -0.799 57.3 54.0-142.7-179.3 23.8 -2.0 135.8 6 67 A R S S- 0 0 167 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.957 70.0-159.5 44.8 80.0 25.9 -1.0 132.8 7 68 A C - 0 0 54 -3,-0.1 2,-1.2 649,-0.1 -1,-0.2 -0.809 14.4-135.1 -94.2 118.6 24.5 -3.5 130.2 8 69 A V + 0 0 18 -2,-0.6 637,-0.1 574,-0.2 635,-0.1 -0.610 25.5 179.3 -74.9 96.7 26.7 -4.2 127.2 9 70 A L + 0 0 149 -2,-1.2 2,-0.3 2,-0.1 -1,-0.2 0.236 54.1 79.2 -85.5 13.7 24.1 -4.0 124.3 10 71 A N S S- 0 0 97 574,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.920 80.6-117.5-122.9 148.9 26.5 -4.7 121.5 11 72 A H - 0 0 128 -2,-0.3 680,-0.1 1,-0.1 573,-0.1 -0.624 32.0-134.6 -81.1 141.0 28.1 -7.9 120.3 12 73 A H - 0 0 7 -2,-0.3 2,-0.3 571,-0.3 682,-0.1 -0.267 36.1 -74.2 -86.9 178.4 31.9 -8.1 120.6 13 74 A S > - 0 0 58 1,-0.1 3,-0.8 679,-0.1 680,-0.3 -0.568 27.6-146.4 -79.5 139.2 34.2 -9.3 117.9 14 75 A T G > S+ 0 0 67 -2,-0.3 3,-1.4 1,-0.2 4,-0.3 0.648 89.7 81.6 -75.1 -14.9 34.4 -13.0 117.3 15 76 A Q G > S+ 0 0 136 1,-0.3 3,-1.4 2,-0.2 6,-0.4 0.848 83.1 62.9 -58.0 -34.4 38.1 -12.7 116.5 16 77 A E G < S+ 0 0 53 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.747 102.7 48.4 -64.1 -25.3 38.8 -12.7 120.2 17 78 A T G < S+ 0 0 0 -3,-1.4 497,-3.3 -4,-0.2 -1,-0.3 0.360 84.8 120.2 -98.1 5.7 37.4 -16.2 120.6 18 79 A A B <> S-B 513 0B 19 -3,-1.4 4,-2.0 -4,-0.3 3,-0.5 -0.448 76.1-116.2 -72.3 141.3 39.4 -17.7 117.7 19 80 A I H > S+ 0 0 6 493,-2.2 4,-1.5 1,-0.2 494,-0.1 0.854 114.3 54.6 -44.1 -43.7 41.8 -20.5 118.4 20 81 A G H 4 S+ 0 0 35 492,-0.4 3,-0.5 1,-0.2 4,-0.3 0.937 109.0 43.4 -59.2 -51.4 44.7 -18.3 117.3 21 82 A N H >4 S+ 0 0 53 -3,-0.5 3,-0.5 -6,-0.4 -1,-0.2 0.795 110.7 57.8 -64.7 -29.9 44.0 -15.4 119.7 22 83 A F H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.815 115.3 35.2 -70.2 -32.2 43.3 -17.8 122.5 23 84 A F T 3< S+ 0 0 8 -4,-1.5 164,-0.7 -3,-0.5 -1,-0.2 0.193 98.7 102.5-107.8 13.2 46.8 -19.4 122.2 24 85 A S < + 0 0 35 -3,-0.5 164,-0.1 -4,-0.3 -3,-0.1 -0.092 44.1 72.3 -84.1-170.2 48.8 -16.3 121.3 25 86 A R S S- 0 0 78 162,-0.1 2,-0.5 462,-0.1 162,-0.4 0.553 81.3 -94.3 73.4 135.6 51.0 -14.2 123.5 26 87 A A - 0 0 9 460,-2.7 2,-0.3 160,-0.2 160,-0.2 -0.695 46.6-175.0 -83.6 126.6 54.5 -15.3 124.8 27 88 A G E -C 185 0C 37 158,-2.3 158,-2.5 -2,-0.5 2,-0.5 -0.812 34.3 -94.8-119.2 161.5 54.3 -16.8 128.2 28 89 A L E +C 184 0C 49 -2,-0.3 156,-0.2 156,-0.2 3,-0.1 -0.660 41.7 170.5 -77.7 121.7 57.0 -18.0 130.6 29 90 A V E + 0 0 13 154,-3.0 2,-0.3 -2,-0.5 155,-0.2 0.531 61.7 6.1-108.3 -8.9 57.6 -21.7 130.1 30 91 A S E -C 183 0C 10 153,-1.1 153,-2.8 24,-0.1 2,-0.4 -0.954 47.9-151.8-171.6 149.5 60.7 -22.2 132.1 31 92 A I E -C 182 0C 75 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.867 19.7-171.7-131.5 99.2 63.2 -20.6 134.5 32 93 A I E -C 181 0C 19 149,-1.9 149,-2.8 -2,-0.4 2,-0.4 -0.696 3.2-164.6 -89.7 139.4 66.7 -22.0 134.4 33 94 A T E -C 180 0C 68 -2,-0.3 147,-0.2 147,-0.2 -2,-0.0 -0.993 9.9-175.5-128.4 128.7 69.2 -20.8 137.1 34 95 A M E -C 179 0C 13 145,-3.6 145,-1.6 -2,-0.4 7,-0.1 -0.709 13.0-172.3-122.9 79.6 73.0 -21.4 136.8 35 96 A P - 0 0 41 0, 0.0 3,-0.2 0, 0.0 9,-0.1 -0.253 36.1-113.4 -68.4 158.9 74.7 -20.2 140.0 36 97 A T S S- 0 0 63 1,-0.3 2,-0.3 140,-0.1 141,-0.1 0.920 96.9 -12.0 -57.5 -46.5 78.5 -20.0 140.2 37 98 A T S S+ 0 0 104 5,-0.1 -1,-0.3 3,-0.0 2,-0.1 -0.910 92.3 97.5-160.2 129.2 78.5 -22.8 142.8 38 99 A G S S- 0 0 57 -2,-0.3 4,-0.0 -3,-0.2 -2,-0.0 -0.255 87.8 -28.9-167.2 -96.8 75.7 -24.4 144.8 39 100 A T S S+ 0 0 131 -2,-0.1 3,-0.2 2,-0.0 0, 0.0 0.807 129.5 14.3-110.1 -54.6 73.9 -27.7 144.0 40 101 A Q S S+ 0 0 139 1,-0.1 4,-0.2 2,-0.1 -3,-0.0 -0.248 107.9 76.9-121.7 44.7 73.7 -28.3 140.3 41 102 A N + 0 0 10 2,-0.1 -1,-0.1 3,-0.1 5,-0.0 0.315 48.7 96.6-140.7 14.3 76.3 -25.9 138.8 42 103 A T S S+ 0 0 92 -3,-0.2 -5,-0.1 1,-0.2 -1,-0.1 0.510 91.1 67.9 -75.9 -0.9 79.9 -27.1 139.2 43 104 A D S S- 0 0 77 2,-0.1 62,-0.2 61,-0.1 -1,-0.2 0.976 91.9-147.0 -76.4 -71.4 78.8 -28.2 135.7 44 105 A G + 0 0 9 1,-0.4 125,-1.0 -4,-0.2 2,-0.3 0.390 65.8 67.3 113.0 1.6 78.5 -24.9 133.9 45 106 A Y E -I 168 0D 40 123,-0.2 -1,-0.4 2,-0.0 2,-0.3 -0.925 59.7-147.5-145.2 168.3 75.6 -25.9 131.6 46 107 A V E -I 167 0D 30 121,-2.4 121,-2.1 -2,-0.3 2,-0.6 -0.998 4.6-152.9-143.1 144.6 71.9 -26.8 131.6 47 108 A N E -I 166 0D 47 -2,-0.3 2,-0.7 119,-0.2 119,-0.2 -0.926 15.4-178.8-120.3 105.2 69.7 -29.1 129.4 48 109 A W E -I 165 0D 35 117,-3.0 117,-2.9 -2,-0.6 2,-0.3 -0.910 17.7-148.0-107.2 112.5 66.1 -28.1 129.3 49 110 A D E -I 164 0D 64 -2,-0.7 2,-0.4 115,-0.3 115,-0.3 -0.647 36.7-101.6 -76.1 134.1 63.9 -30.4 127.2 50 111 A I + 0 0 18 113,-2.7 112,-0.5 -2,-0.3 2,-0.4 -0.434 54.0 175.7 -60.7 115.7 61.2 -28.3 125.6 51 112 A D + 0 0 48 -2,-0.4 3,-0.3 -22,-0.1 110,-0.0 -0.982 26.6 176.6-132.4 123.9 58.1 -29.0 127.7 52 113 A L S > S+ 0 0 14 -2,-0.4 3,-0.8 1,-0.2 7,-0.2 0.847 79.3 69.5 -89.8 -39.3 54.7 -27.4 127.5 53 114 A M T 3 S+ 0 0 32 1,-0.2 -1,-0.2 5,-0.1 3,-0.1 0.205 76.8 100.2 -65.6 20.3 52.9 -29.4 130.2 54 115 A G T 3 S+ 0 0 35 -3,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.992 76.8 43.2 -70.0 -63.8 55.2 -27.4 132.5 55 116 A Y S X> S- 0 0 105 -3,-0.8 4,-2.3 1,-0.1 3,-1.0 -0.773 73.4-146.6 -92.7 113.7 52.7 -24.7 133.7 56 117 A A H 3> S+ 0 0 35 -2,-0.7 4,-2.1 1,-0.3 5,-0.2 0.698 96.2 67.0 -46.9 -24.9 49.2 -26.0 134.5 57 118 A Q H 3> S+ 0 0 54 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.976 110.8 30.5 -62.5 -55.5 47.8 -22.7 133.2 58 119 A L H <> S+ 0 0 41 -3,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.793 116.3 61.1 -73.0 -32.7 48.8 -23.4 129.6 59 120 A R H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.937 102.1 49.8 -62.2 -47.2 48.4 -27.1 130.0 60 121 A R H < S+ 0 0 3 -4,-2.1 139,-0.3 1,-0.2 -1,-0.2 0.898 108.9 54.9 -58.1 -41.1 44.8 -26.9 130.9 61 122 A K H >< S+ 0 0 21 -4,-1.1 3,-0.7 1,-0.2 -1,-0.2 0.871 110.7 44.6 -59.3 -41.9 44.3 -24.7 127.8 62 123 A C H >< S+ 0 0 1 -4,-1.9 3,-2.3 1,-0.2 -2,-0.2 0.911 102.0 64.4 -71.7 -41.8 45.8 -27.3 125.5 63 124 A E T 3< S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.3 136,-0.2 0.158 80.6 83.2 -70.7 22.2 44.0 -30.3 127.0 64 125 A L T < S+ 0 0 2 -3,-0.7 132,-2.3 -2,-0.2 2,-0.3 0.509 97.5 46.1 -94.5 -13.6 40.8 -28.7 125.7 65 126 A F E < S-D 195 0C 0 -3,-2.3 77,-0.2 130,-0.3 129,-0.2 -0.889 71.1-146.0-128.0 157.4 41.8 -30.4 122.4 66 127 A T E S+ 0 0 0 127,-2.1 76,-1.4 128,-1.1 77,-0.6 0.873 86.4 27.3 -90.7 -43.5 43.0 -33.8 121.5 67 128 A Y E +DE 193 141C 0 126,-1.5 126,-2.4 74,-0.2 2,-0.3 -0.935 65.6 175.8-123.0 146.0 45.3 -32.9 118.6 68 129 A M E -DE 192 140C 0 72,-2.4 72,-2.9 -2,-0.4 2,-0.4 -0.994 10.6-166.0-147.0 148.3 47.2 -29.6 118.0 69 130 A R E +D 191 0C 32 122,-2.1 122,-1.7 -2,-0.3 2,-0.3 -0.999 27.4 131.6-136.3 136.6 49.7 -28.4 115.4 70 131 A F E - 0 0 2 -2,-0.4 2,-0.3 120,-0.2 119,-0.2 -0.983 46.6-112.2-176.0 164.4 51.9 -25.3 115.6 71 132 A D E -D 188 0C 47 117,-2.3 117,-2.5 -2,-0.3 2,-0.4 -0.674 33.0-140.7-101.2 158.3 55.2 -23.5 115.4 72 133 A A E -DF 187 131C 0 59,-2.9 59,-3.6 -2,-0.3 2,-0.5 -0.987 7.0-156.6-131.3 132.8 56.9 -22.1 118.5 73 134 A E E -DF 186 130C 3 113,-2.7 113,-2.0 -2,-0.4 2,-0.4 -0.913 14.5-161.8-106.5 123.9 58.8 -18.8 119.0 74 135 A F E -DF 185 129C 0 55,-3.6 55,-2.5 -2,-0.5 2,-0.4 -0.906 6.3-169.9-111.1 133.4 61.3 -18.8 121.8 75 136 A T E -DF 184 128C 2 109,-2.3 109,-2.4 -2,-0.4 2,-0.8 -0.976 13.2-146.3-121.0 133.1 62.7 -15.6 123.4 76 137 A F E -DF 183 127C 4 51,-2.9 51,-0.9 -2,-0.4 2,-0.8 -0.817 14.6-176.7-108.0 98.3 65.6 -15.8 125.9 77 138 A V E +D 182 0C 46 105,-2.1 105,-3.2 -2,-0.8 2,-0.3 -0.798 18.8 167.2 -92.8 103.5 65.5 -13.2 128.6 78 139 A V E +D 181 0C 16 -2,-0.8 2,-0.3 103,-0.2 103,-0.2 -0.850 9.7 135.7-121.4 159.2 68.7 -13.5 130.8 79 140 A A E -D 180 0C 14 101,-1.3 101,-2.6 -2,-0.3 6,-0.2 -0.926 58.5 -67.0-178.1 172.7 70.5 -11.5 133.4 80 141 A K > - 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