==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 13-AUG-12 3J22 . COMPND 2 MOLECULE: CAPSID PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ENTEROVIRUS 71; . AUTHOR K.L.SHINGLER . 694 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 26.2 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 0.1 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 . 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 . 94 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 4.3 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 3 2 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 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 . 5 3 1 3 7 4 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 . 2 0 2 1 2 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 73 A H 0 0 231 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.0 30.4 -7.6 116.6 2 74 A S - 0 0 80 1,-0.1 3,-0.1 681,-0.0 0, 0.0 -0.658 360.0-174.7 -95.3 151.0 33.9 -9.0 116.2 3 75 A T + 0 0 59 -2,-0.3 3,-0.4 680,-0.1 499,-0.2 -0.015 47.9 113.7-131.9 29.9 35.0 -12.5 117.3 4 76 A A > + 0 0 59 1,-0.2 3,-1.3 2,-0.1 6,-0.2 0.730 67.5 67.2 -76.3 -22.6 38.7 -12.6 116.6 5 77 A E T 3 S+ 0 0 67 679,-0.3 -1,-0.2 1,-0.2 680,-0.1 0.821 95.9 56.8 -68.2 -28.1 39.8 -12.8 120.2 6 78 A T T 3 S+ 0 0 1 -3,-0.4 495,-3.1 678,-0.2 496,-0.3 0.274 80.9 114.5 -87.0 11.0 38.3 -16.2 120.6 7 79 A T B <> S-A 500 0A 39 -3,-1.3 4,-2.9 493,-0.3 493,-0.2 -0.469 77.2-115.6 -79.4 155.1 40.3 -17.8 117.8 8 80 A L H > S+ 0 0 4 491,-2.2 4,-2.5 1,-0.2 5,-0.2 0.944 115.3 50.4 -54.8 -53.9 42.9 -20.5 118.6 9 81 A D H > S+ 0 0 70 171,-0.3 4,-1.9 490,-0.3 -1,-0.2 0.888 114.5 46.2 -53.6 -40.0 45.9 -18.5 117.5 10 82 A S H 4 S+ 0 0 28 -6,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.965 110.7 51.3 -64.6 -54.0 44.7 -15.6 119.6 11 83 A F H < S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.834 120.3 35.7 -51.1 -39.3 43.9 -17.7 122.6 12 84 A F H < S+ 0 0 5 -4,-2.5 165,-0.6 -5,-0.2 -1,-0.2 0.636 91.5 91.1 -98.9 -16.5 47.4 -19.2 122.5 13 85 A S < + 0 0 40 -4,-1.9 165,-0.1 -3,-0.3 164,-0.1 0.567 47.3 96.8 -55.0-142.0 50.0 -16.6 121.3 14 86 A R S S- 0 0 71 460,-0.2 2,-0.4 162,-0.1 163,-0.4 0.704 80.6 -99.2 62.1 126.4 51.8 -14.5 123.9 15 87 A A - 0 0 11 458,-3.3 2,-0.3 161,-0.2 161,-0.3 -0.639 45.5-171.5 -77.3 128.1 55.3 -15.4 125.1 16 88 A G E -B 175 0B 12 159,-1.6 159,-1.4 -2,-0.4 2,-0.5 -0.922 30.2-105.4-119.4 149.0 54.9 -17.2 128.4 17 89 A L E +B 174 0B 55 -2,-0.3 157,-0.2 157,-0.2 3,-0.1 -0.642 45.9 160.7 -77.2 122.3 57.7 -18.2 130.7 18 90 A V E + 0 0 9 155,-2.7 2,-0.3 -2,-0.5 22,-0.2 0.426 59.4 29.6-118.0 -6.0 58.2 -22.0 130.4 19 91 A G E -B 173 0B 10 154,-1.1 154,-3.3 22,-0.1 2,-0.4 -0.978 46.7-174.1-161.5 146.3 61.7 -22.3 131.8 20 92 A E E -B 172 0B 103 -2,-0.3 2,-0.4 152,-0.2 152,-0.2 -0.991 13.3-160.4-141.3 128.4 64.4 -20.9 134.1 21 93 A I E -B 171 0B 12 150,-2.7 150,-1.5 -2,-0.4 2,-0.5 -0.920 4.2-154.9-112.3 128.4 68.0 -22.0 134.4 22 94 A D E +B 170 0B 60 -2,-0.4 148,-0.2 148,-0.2 12,-0.1 -0.897 14.9 175.1-106.8 129.0 70.3 -21.4 137.4 23 95 A L E +B 169 0B 8 146,-3.2 146,-1.9 -2,-0.5 7,-0.1 -0.584 18.5 176.4-126.9 67.0 74.0 -21.3 136.9 24 96 A P - 0 0 33 0, 0.0 9,-0.2 0, 0.0 3,-0.2 -0.094 33.0-135.3 -65.1 169.1 75.3 -20.3 140.3 25 97 A L S S+ 0 0 79 1,-0.3 2,-0.6 141,-0.1 8,-0.1 0.887 98.8 37.0 -88.0 -55.5 79.0 -20.0 141.2 26 98 A K S S+ 0 0 176 -3,-0.0 -1,-0.3 2,-0.0 2,-0.3 -0.890 96.9 120.2 -98.9 116.2 78.7 -21.8 144.5 27 99 A G - 0 0 42 -2,-0.6 3,-0.0 -3,-0.2 -4,-0.0 -0.987 68.8-145.2-176.5 166.4 76.2 -24.5 144.3 28 100 A T S S+ 0 0 137 -2,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.567 92.8 86.7-100.8 -26.7 74.7 -27.9 144.4 29 101 A T S S- 0 0 59 1,-0.3 -1,-0.0 -3,-0.1 0, 0.0 -0.702 114.4 -22.7 -84.6 113.1 72.6 -26.7 141.5 30 102 A N S > S- 0 0 60 -2,-0.6 3,-1.0 1,-0.1 -1,-0.3 0.960 73.9-176.2 46.2 66.9 74.2 -27.1 138.0 31 103 A P T 3 + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.673 69.3 64.8 -65.8 -20.8 77.7 -27.2 139.4 32 104 A N T 3 S- 0 0 69 2,-0.3 3,-0.1 132,-0.0 -2,-0.1 0.123 108.6-112.0 -95.0 24.0 79.4 -27.4 135.9 33 105 A G S < S+ 0 0 5 -3,-1.0 126,-1.3 -9,-0.2 2,-0.3 0.814 90.1 83.0 54.0 32.0 78.4 -24.0 134.6 34 106 A Y E -H 158 0C 36 124,-0.2 2,-0.3 -12,-0.1 -2,-0.3 -0.964 55.8-164.6-154.9 164.5 76.1 -25.6 132.0 35 107 A A E -H 157 0C 5 122,-2.4 122,-2.5 -2,-0.3 2,-0.4 -0.996 13.4-144.0-156.5 152.7 72.5 -27.0 131.8 36 108 A N E -H 156 0C 55 -2,-0.3 2,-0.5 120,-0.2 120,-0.2 -0.984 14.5-177.2-121.9 126.5 70.1 -29.1 129.7 37 109 A W E -H 155 0C 39 118,-2.1 118,-1.3 -2,-0.4 2,-0.1 -0.824 16.6-151.0-127.1 92.2 66.4 -28.3 129.3 38 110 A D E -H 154 0C 72 -2,-0.5 2,-0.5 116,-0.2 116,-0.3 -0.451 44.3 -97.2 -59.7 129.6 64.4 -30.8 127.2 39 111 A I + 0 0 7 114,-1.6 113,-0.5 -2,-0.1 2,-0.4 -0.390 51.8 173.5 -62.5 108.9 61.6 -28.5 125.9 40 112 A D > - 0 0 51 -2,-0.5 3,-0.7 -22,-0.2 4,-0.1 -0.958 21.8-165.3-116.7 126.0 58.5 -28.8 128.0 41 113 A I G > S+ 0 0 17 -2,-0.4 3,-0.5 1,-0.2 6,-0.1 0.354 82.9 77.6 -92.1 5.7 55.5 -26.4 127.3 42 114 A T G 3 + 0 0 16 1,-0.2 6,-0.3 5,-0.1 653,-0.2 0.476 66.3 94.4 -88.7 -5.3 53.9 -27.3 130.6 43 115 A G G < + 0 0 38 -3,-0.7 2,-1.0 -25,-0.1 -1,-0.2 0.788 70.0 73.1 -56.5 -32.1 56.4 -25.0 132.3 44 116 A Y S X> S- 0 0 62 -3,-0.5 3,-0.8 1,-0.2 4,-0.8 -0.815 86.8-145.5 -86.7 107.2 53.9 -22.3 132.1 45 117 A A T >4 S+ 0 0 28 -2,-1.0 3,-1.4 1,-0.3 4,-0.4 0.894 94.6 50.5 -33.2 -76.0 51.5 -23.5 134.8 46 118 A Q T >> S+ 0 0 35 1,-0.3 4,-1.1 648,-0.1 3,-0.7 0.759 98.7 72.6 -33.0 -47.0 48.3 -22.4 133.2 47 119 A M H X> S+ 0 0 12 -3,-0.8 4,-2.3 1,-0.2 3,-0.6 0.824 82.2 64.6 -45.5 -52.3 49.3 -24.0 129.9 48 120 A R H < S+ 0 0 9 -4,-2.3 3,-2.6 1,-0.3 -2,-0.2 0.904 102.9 70.8 -69.7 -38.0 46.1 -27.4 125.7 52 124 A E T 3< S+ 0 0 29 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.312 76.1 84.5 -64.9 15.7 44.6 -30.5 127.2 53 125 A L T < S+ 0 0 3 -3,-1.0 133,-3.7 135,-0.1 -1,-0.3 0.752 96.4 43.2 -82.0 -28.0 41.2 -29.1 125.9 54 126 A F E < -C 185 0B 0 -3,-2.6 130,-0.2 131,-0.3 3,-0.1 -0.570 69.3-144.7-112.0 174.4 42.2 -30.8 122.6 55 127 A T E S+ 0 0 0 128,-1.5 76,-1.8 129,-0.8 77,-0.6 0.698 86.0 31.6-108.5 -34.1 43.7 -34.1 121.6 56 128 A Y E +CD 183 130B 0 127,-1.0 127,-2.9 74,-0.2 -1,-0.3 -0.986 64.4 161.9-132.7 138.0 45.8 -33.0 118.7 57 129 A M E -CD 182 129B 0 72,-2.6 72,-1.4 -2,-0.4 2,-0.3 -0.873 16.0-160.9-142.0 174.8 47.6 -29.7 118.0 58 130 A R E +C 181 0B 37 123,-1.2 123,-2.0 -2,-0.3 2,-0.3 -0.956 24.4 136.3-159.8 141.3 50.3 -28.4 115.7 59 131 A F E - 0 0 5 -2,-0.3 2,-0.3 121,-0.2 120,-0.2 -0.989 41.7-118.2-177.4 170.0 52.4 -25.3 116.0 60 132 A D E -C 178 0B 36 118,-2.5 118,-2.1 -2,-0.3 2,-0.4 -0.766 30.5-145.5-114.1 161.7 55.7 -23.4 115.7 61 133 A A E -CE 177 120B 8 59,-2.5 59,-2.0 -2,-0.3 2,-0.6 -0.943 7.3-152.8-143.5 121.6 57.3 -21.7 118.7 62 134 A E E -CE 176 119B 3 114,-1.7 114,-2.9 -2,-0.4 2,-0.4 -0.806 20.4-159.9 -91.6 119.6 59.3 -18.6 118.9 63 135 A F E -CE 175 118B 4 55,-2.9 55,-2.0 -2,-0.6 2,-0.4 -0.822 6.1-166.4-101.5 137.2 61.6 -18.6 122.0 64 136 A T E -CE 174 117B 1 110,-1.2 110,-2.5 -2,-0.4 2,-0.6 -0.972 10.6-143.9-126.2 139.2 63.1 -15.6 123.5 65 137 A F E -CE 173 116B 5 51,-2.5 51,-0.8 -2,-0.4 2,-0.6 -0.899 13.4-175.6-111.7 120.0 65.9 -15.7 126.0 66 138 A V E +C 172 0B 42 106,-2.4 106,-2.7 -2,-0.6 2,-0.4 -0.934 14.1 176.2-111.8 115.7 66.3 -13.3 129.0 67 139 A A E +C 171 0B 18 -2,-0.6 2,-0.2 104,-0.2 104,-0.2 -0.961 14.2 121.9-127.6 141.9 69.5 -13.7 131.0 68 140 A C E -C 170 0B 20 102,-1.7 102,-2.8 -2,-0.4 6,-0.2 -0.896 57.4 -70.1-167.5-169.5 71.0 -11.8 133.9 69 141 A T > - 0 0 6 4,-2.2 3,-2.7 -2,-0.2 4,-0.2 -0.585 56.3 -95.3 -95.8 165.2 72.3 -12.2 137.5 70 142 A P T 3 S+ 0 0 92 0, 0.0 99,-0.1 0, 0.0 -1,-0.1 0.801 126.4 57.3 -49.1 -37.2 69.9 -13.0 140.4 71 143 A T T 3 S- 0 0 120 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.464 125.3-106.7 -73.3 0.4 69.6 -9.2 141.4 72 144 A G S < S+ 0 0 52 -3,-2.7 2,-0.2 1,-0.2 -1,-0.1 0.778 72.1 152.7 77.5 30.8 68.4 -8.9 137.8 73 145 A E - 0 0 113 -4,-0.2 -4,-2.2 1,-0.0 2,-0.3 -0.556 42.0-126.0 -93.7 155.5 71.7 -7.3 136.9 74 146 A V - 0 0 96 -6,-0.2 -6,-0.1 -2,-0.2 38,-0.1 -0.801 28.7-176.9-102.6 144.8 73.4 -7.2 133.4 75 147 A V - 0 0 15 -2,-0.3 2,-2.1 2,-0.1 37,-0.3 -0.965 38.7-104.4-142.3 156.9 77.1 -8.4 132.9 76 148 A P S S+ 0 0 102 0, 0.0 2,-0.4 0, 0.0 34,-0.0 -0.400 71.8 129.9 -77.0 61.8 79.8 -8.7 130.2 77 149 A Q - 0 0 27 -2,-2.1 34,-2.3 88,-0.0 2,-0.2 -0.932 50.4-138.3-121.0 141.0 79.5 -12.4 129.8 78 150 A L E -I 110 0C 62 -2,-0.4 82,-1.5 32,-0.2 2,-0.3 -0.650 21.7-159.8 -94.2 156.2 79.1 -14.3 126.5 79 151 A L E -IJ 109 159C 4 30,-1.2 30,-1.6 -2,-0.2 2,-0.5 -0.985 17.0-152.2-140.9 151.7 76.7 -17.2 126.2 80 152 A Q E -IJ 108 158C 14 78,-2.4 78,-1.2 -2,-0.3 2,-0.5 -0.978 10.6-173.4-122.2 114.4 76.0 -20.3 124.0 81 153 A Y E -IJ 107 157C 11 26,-1.9 26,-2.5 -2,-0.5 2,-0.4 -0.938 15.8-169.3-103.5 131.5 72.5 -21.4 123.8 82 154 A M E -IJ 106 156C 1 74,-2.8 74,-3.0 -2,-0.5 2,-0.6 -0.969 15.3-150.8-126.1 142.6 72.5 -24.7 121.9 83 155 A F E - J 0 155C 1 22,-2.7 72,-0.2 -2,-0.4 70,-0.0 -0.956 4.9-165.6-115.3 117.1 69.6 -26.6 120.5 84 156 A V E - J 0 154C 1 70,-2.4 70,-0.8 -2,-0.6 3,-0.1 -0.847 22.8-138.6-102.9 98.3 70.0 -30.4 120.2 85 157 A P > - 0 0 26 0, 0.0 3,-1.7 0, 0.0 68,-0.2 -0.001 41.2 -75.5 -48.4 159.7 67.1 -31.5 118.0 86 158 A P T 3 S+ 0 0 55 0, 0.0 68,-0.0 0, 0.0 0, 0.0 -0.394 124.8 31.0 -60.4 142.0 65.4 -34.7 119.1 87 159 A G T 3 S+ 0 0 83 1,-0.5 -3,-0.0 -3,-0.1 66,-0.0 -0.144 96.2 103.4 103.2 -39.8 67.7 -37.6 118.2 88 160 A A S < S- 0 0 24 -3,-1.7 -1,-0.5 1,-0.1 2,-0.4 -0.373 80.3-101.5 -72.5 161.4 70.9 -35.6 118.7 89 161 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.733 27.7-129.2 -90.6 130.3 72.9 -36.2 121.9 90 162 A K - 0 0 96 -2,-0.4 2,-0.3 1,-0.1 8,-0.1 -0.392 34.6 -97.1 -74.7 149.6 72.8 -33.8 124.9 91 163 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.529 31.6-169.2 -70.8 129.5 76.1 -32.6 126.4 92 164 A D S S+ 0 0 121 -2,-0.3 2,-0.3 1,-0.1 -56,-0.0 0.679 70.2 24.2 -90.5 -20.1 77.1 -34.6 129.4 93 165 A S S > S- 0 0 23 -61,-0.0 3,-2.1 0, 0.0 -1,-0.1 -0.939 88.8 -98.9-142.3 163.6 79.9 -32.3 130.5 94 166 A R T 3 S+ 0 0 15 -2,-0.3 -59,-0.0 1,-0.3 64,-0.0 0.362 126.6 38.0 -64.4 7.4 81.0 -28.7 130.2 95 167 A E T 3 S+ 0 0 132 4,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.081 78.2 142.6-145.8 21.6 83.4 -29.9 127.4 96 168 A S X - 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