==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 02-FEB-12 4AGY . COMPND 2 MOLECULE: VP1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS A7; . AUTHOR J.J.T.SEITSONEN,S.SHAKEEL,P.SUSI,A.P.PANDURANGAN,R.S.SINKOVI . 603 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 21.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 9.0 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 5 1 4 0 2 0 1 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 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 . 2 2 4 2 5 3 3 1 1 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 . 1 1 4 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 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 77 A T 0 0 83 0, 0.0 6,-0.3 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 -52.6 26.1 42.5 113.0 2 78 A S > - 0 0 100 1,-0.1 4,-0.7 4,-0.1 3,-0.3 -0.289 360.0-111.3 -68.9 143.2 25.1 43.1 109.5 3 79 A I H >>S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 5,-0.6 0.487 86.2 62.0 -72.4 -50.4 24.0 46.4 109.5 4 80 A T H >5S+ 0 0 84 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.846 113.9 27.9 -62.8 -52.2 20.5 47.7 109.1 5 81 A N H >5S+ 0 0 145 -3,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.940 122.8 52.8 -66.9 -44.0 18.6 46.2 112.0 6 82 A F H ><5S+ 0 0 88 -4,-0.7 3,-0.6 1,-0.2 -2,-0.2 0.946 117.0 30.4 -61.4 -58.1 21.6 46.0 114.2 7 83 A Y H 3<5S+ 0 0 3 -4,-2.9 150,-0.4 -6,-0.3 -1,-0.2 0.863 103.3 74.9 -70.5 -38.4 23.0 49.5 114.1 8 84 A S H 3< S- 0 0 83 -2,-0.2 4,-0.9 1,-0.2 -2,-0.4 -0.387 75.9-172.4 -60.5 110.9 26.1 83.0 137.5 24 100 A S H > S+ 0 0 17 -2,-0.4 4,-0.6 119,-0.2 -1,-0.2 0.918 74.9 57.5 -69.9 -45.7 23.2 81.8 135.4 25 101 A N H 4 S+ 0 0 78 1,-0.3 114,-0.3 118,-0.2 3,-0.2 0.919 120.1 28.0 -60.3 -48.2 24.3 83.1 132.1 26 102 A T H >4 S+ 0 0 15 1,-0.2 3,-0.8 63,-0.2 -1,-0.3 0.784 110.4 73.7 -67.3 -31.1 27.5 81.2 132.1 27 103 A K H 3< S+ 0 0 81 -4,-0.9 2,-0.2 1,-0.5 -1,-0.2 0.636 85.7 78.6 -56.3 -53.2 26.3 78.5 134.2 28 104 A G T 3< S+ 0 0 0 -4,-0.6 111,-1.8 -10,-0.3 -1,-0.5 -0.732 75.5 58.9 116.5 -26.8 24.8 77.7 131.7 29 105 A F E < +D 138 0B 31 -3,-0.8 2,-0.3 -2,-0.2 109,-0.2 -0.987 37.4 173.8-154.2 158.7 26.8 75.9 129.0 30 106 A A E -D 137 0B 25 107,-1.5 107,-2.3 -2,-0.3 2,-0.4 -0.973 17.9-144.4-153.5 155.3 28.8 72.8 128.5 31 107 A K E -D 136 0B 95 -2,-0.3 2,-0.5 105,-0.2 105,-0.2 -0.968 9.5-162.1-122.6 142.2 30.5 71.1 125.6 32 108 A W E -D 135 0B 70 103,-1.7 103,-2.7 -2,-0.4 2,-0.3 -0.982 17.1-134.9-124.6 122.5 30.7 67.4 125.2 33 109 A G E -D 134 0B 30 -2,-0.5 2,-1.0 101,-0.3 101,-0.3 -0.580 21.2-134.7 -73.3 136.1 33.2 65.9 122.8 34 110 A I E +D 133 0B 5 99,-1.6 99,-2.0 -2,-0.3 2,-0.4 -0.794 31.1 171.6 -97.8 106.4 31.5 63.2 120.8 35 111 A D - 0 0 80 -2,-1.0 4,-0.3 2,-0.2 8,-0.1 -0.913 34.6-138.8-106.5 139.4 33.7 60.2 120.7 36 112 A I S > S+ 0 0 28 -2,-0.4 3,-0.6 2,-0.1 7,-0.5 0.969 96.0 50.1 -62.7 -45.2 32.2 57.1 119.2 37 113 A M T 3 S+ 0 0 72 1,-0.2 -2,-0.2 6,-0.2 3,-0.1 -0.316 77.7 77.3 -79.2 171.8 33.9 55.2 121.9 38 114 A G T 3 S+ 0 0 58 -4,-0.1 2,-0.5 -2,-0.1 -1,-0.2 -0.168 93.9 62.4 109.7 -34.4 33.6 56.3 125.5 39 115 A F S <> S- 0 0 71 -3,-0.6 4,-1.3 -4,-0.3 5,-0.2 -0.991 89.1-150.0-113.4 119.7 30.2 54.9 125.7 40 116 A V H > S+ 0 0 32 -2,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.875 77.0 54.2 -63.5 -48.0 31.1 51.3 125.1 41 117 A Q H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 108.3 43.3 -63.8 -49.8 28.1 49.8 123.3 42 118 A M H > S+ 0 0 31 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.929 119.3 43.7 -64.7 -43.5 27.6 52.0 120.4 43 119 A R H X S+ 0 0 76 -4,-1.3 4,-3.7 -7,-0.5 -1,-0.3 0.889 108.2 61.5 -64.3 -37.2 31.3 52.3 119.6 44 120 A R H X S+ 0 0 55 -4,-2.8 4,-1.4 1,-0.3 -1,-0.2 0.925 107.6 42.0 -59.2 -46.5 31.6 48.6 120.1 45 121 A K H X S+ 0 0 56 -4,-2.2 4,-1.4 1,-0.2 3,-0.5 0.938 114.9 51.8 -63.4 -43.7 29.2 47.8 117.3 46 122 A L H X S+ 0 0 10 -4,-2.2 4,-3.2 1,-0.3 3,-0.2 0.923 103.6 57.8 -60.6 -42.1 30.8 50.4 115.2 47 123 A E H < S+ 0 0 50 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.2 0.869 100.1 58.0 -58.9 -37.8 34.2 49.1 115.7 48 124 A L H < S+ 0 0 49 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.953 127.1 17.2 -59.9 -49.4 33.2 45.7 114.4 49 125 A M H < S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.836 81.0 172.8 -68.5 -33.6 32.1 47.3 111.1 50 126 A T < + 0 0 55 -4,-3.2 2,-0.3 -5,-0.2 -3,-0.1 0.524 47.7 95.7 -39.3 74.9 33.9 50.3 111.6 51 127 A Y - 0 0 109 -5,-0.2 2,-0.4 2,-0.1 -1,-0.1 -0.962 58.5-179.5-131.5 135.4 33.1 51.4 108.1 52 128 A M - 0 0 15 72,-1.0 72,-1.4 -2,-0.3 2,-0.4 -0.968 30.2-156.1-137.8 149.9 30.1 53.6 108.0 53 129 A R - 0 0 101 -2,-0.4 2,-0.6 70,-0.2 70,-0.1 -0.918 37.4-125.8-113.4 149.1 28.0 55.6 105.7 54 130 A F + 0 0 15 -2,-0.4 2,-0.2 62,-0.2 106,-0.1 -0.870 53.6 136.9-114.1 127.9 26.2 58.4 107.3 55 131 A S - 0 0 57 -2,-0.6 103,-2.2 101,-0.1 2,-0.2 -0.743 44.4-154.2-134.5 110.5 22.8 59.6 107.8 56 132 A A E -BC 115 157A 8 59,-3.1 59,-1.5 -2,-0.2 2,-0.5 -0.484 9.8-158.6 -78.2 146.0 22.8 60.5 111.4 57 133 A E E -BC 114 156A 29 99,-2.9 99,-3.4 57,-0.2 2,-0.4 -0.988 15.6-166.9-117.4 122.4 19.6 60.6 113.3 58 134 A F E +BC 113 155A 17 55,-3.5 55,-2.6 -2,-0.5 2,-0.3 -0.889 11.0 176.2-111.2 138.6 19.9 62.7 116.3 59 135 A T E -BC 112 154A 17 95,-2.7 95,-2.6 -2,-0.4 2,-0.4 -0.964 9.1-162.9-128.8 152.4 17.6 62.9 119.2 60 136 A F E - C 0 153A 4 51,-1.7 2,-0.5 -2,-0.3 51,-0.3 -0.996 3.1-162.9-131.6 142.8 18.0 64.9 122.4 61 137 A V E - C 0 152A 38 91,-2.1 91,-2.4 -2,-0.4 2,-0.2 -0.986 11.0-151.9-123.1 125.6 16.2 64.4 125.6 62 138 A A E + C 0 151A 25 -2,-0.5 2,-0.3 89,-0.2 89,-0.2 -0.605 16.8 176.6 -85.2 153.1 16.2 67.2 128.2 63 139 A S E - C 0 150A 42 87,-2.2 87,-3.3 -2,-0.2 3,-0.1 -0.978 12.8-159.4-147.4 151.7 15.9 66.5 131.8 64 140 A T - 0 0 26 -2,-0.3 85,-0.2 85,-0.2 5,-0.0 -0.991 19.0-154.3-132.7 131.0 16.0 68.8 134.8 65 141 A P S S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 84,-0.1 0.755 71.8 118.2 -62.4 -25.0 16.7 67.7 138.3 66 142 A E S S- 0 0 41 82,-0.6 -2,-0.2 2,-0.2 81,-0.1 -0.346 82.7-136.5 -78.8 163.6 14.7 70.8 139.0 67 143 A G S S+ 0 0 79 79,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.730 95.8 66.3 101.0 -37.7 12.4 72.0 140.1 68 144 A E + 0 0 30 80,-0.2 -2,-0.2 1,-0.1 76,-0.1 -0.688 48.2 173.4-148.3 98.8 11.8 74.2 137.2 69 145 A T + 0 0 84 -2,-0.2 3,-0.4 1,-0.1 2,-0.3 0.949 53.7 89.5 -67.0 -44.6 10.9 72.1 134.2 70 146 A T + 0 0 75 1,-0.3 -1,-0.1 36,-0.1 3,-0.0 -0.826 69.5 11.6-131.7 164.2 10.2 75.2 132.1 71 147 A N + 0 0 66 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.280 65.0 140.1-110.5 127.7 10.8 77.2 130.5 72 148 A L - 0 0 0 -3,-0.4 34,-2.1 68,-0.0 2,-0.6 -0.950 31.0-158.4-111.9 135.8 14.2 76.4 129.1 73 149 A I E -E 105 0B 61 -2,-0.5 67,-2.0 32,-0.2 2,-0.4 -0.968 19.4-157.3-111.0 123.7 15.0 77.0 125.6 74 150 A L E -EF 104 139B 1 30,-2.6 30,-2.4 -2,-0.6 2,-0.5 -0.796 12.1-157.8-108.0 141.0 18.0 74.9 124.6 75 151 A Q E -EF 103 138B 0 63,-2.6 63,-2.0 -2,-0.4 2,-0.8 -0.970 3.7-165.1-111.2 129.0 20.4 75.4 121.9 76 152 A Y E -EF 102 137B 7 26,-3.9 26,-3.1 -2,-0.5 2,-0.4 -0.887 10.9-168.6-108.9 101.0 22.3 72.4 120.7 77 153 A M E -EF 101 136B 0 59,-1.7 59,-2.3 -2,-0.8 2,-0.7 -0.682 13.6-150.8 -79.6 139.9 25.1 73.6 118.7 78 154 A Y E - F 0 135B 37 22,-0.7 21,-0.5 21,-0.4 57,-0.2 -0.958 22.0-158.4-101.3 116.3 26.9 71.0 116.7 79 155 A A E - F 0 134B 0 -2,-0.7 55,-0.7 55,-0.6 4,-0.1 -0.828 18.2-150.3-102.6 111.5 30.3 72.5 116.6 80 156 A P - 0 0 9 0, 0.0 18,-0.1 0, 0.0 19,-0.1 -0.727 52.2-101.6 -57.8 120.5 32.5 71.4 114.0 81 157 A P S S+ 0 0 38 0, 0.0 46,-0.1 0, 0.0 -3,-0.0 -0.014 96.0 25.3 -57.3 153.0 35.5 72.0 116.2 82 158 A G S S+ 0 0 66 1,-0.3 3,-0.0 -3,-0.1 -3,-0.0 0.422 92.7 97.7 79.8 -52.3 37.5 75.1 115.7 83 159 A A S S- 0 0 20 -4,-0.1 -1,-0.3 -3,-0.1 16,-0.1 -0.904 111.4 -73.8 -81.7 116.5 35.3 76.1 114.7 84 160 A P - 0 0 64 0, 0.0 14,-0.1 0, 0.0 -1,-0.0 0.605 37.2-155.3 -65.3 150.5 34.7 77.5 117.8 85 161 A L - 0 0 59 1,-0.1 8,-0.1 -6,-0.0 -54,-0.1 -0.830 49.4 -88.0 -98.0 141.0 33.7 75.8 121.0 86 162 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.234 31.1-163.2 -60.8 125.6 32.0 78.2 123.2 87 163 A T S S- 0 0 81 1,-0.3 2,-0.3 2,-0.1 3,-0.1 0.955 80.4 -9.6 -65.4 -48.6 34.3 80.1 125.5 88 164 A R - 0 0 118 1,-0.1 -1,-0.3 -60,-0.0 5,-0.2 -0.933 65.1-114.7-144.1 164.2 31.3 80.9 127.6 89 165 A R S S+ 0 0 22 -2,-0.3 5,-0.2 -63,-0.3 -63,-0.2 0.896 122.4 52.8 -64.1 -38.3 27.6 80.7 127.4 90 166 A D S S+ 0 0 84 -3,-0.1 -1,-0.2 3,-0.1 -64,-0.1 0.853 97.1 91.6 -62.6 -33.7 27.6 84.5 127.4 91 167 A S S S- 0 0 32 1,-0.1 3,-0.4 -65,-0.0 0, 0.0 0.090 90.9-107.1 -65.9 177.6 30.1 84.3 124.5 92 168 A Y S > S+ 0 0 206 1,-0.2 3,-1.1 2,-0.1 -1,-0.1 0.841 86.1 103.8 -59.1 -38.2 29.0 84.3 120.9 93 169 A E T 3 + 0 0 29 1,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.323 51.7 73.4 -62.0 -32.8 29.7 80.9 120.2 94 170 A W T 3 S+ 0 0 0 -3,-0.4 2,-1.8 -5,-0.2 -1,-0.3 0.856 95.4 54.6 -57.6 -47.6 26.6 78.9 120.1 95 171 A Q S < S+ 0 0 88 -3,-1.1 -1,-0.2 1,-0.2 -18,-0.0 -0.666 74.0 141.5 -77.1 96.6 25.5 80.1 116.8 96 172 A T - 0 0 39 -2,-1.8 -1,-0.2 3,-0.3 -2,-0.1 0.981 35.7-169.1 -63.8 -49.2 28.7 79.2 115.2 97 173 A S + 0 0 63 2,-0.3 -2,-0.1 -3,-0.2 4,-0.1 -0.175 48.6 119.0-104.6 85.3 27.2 78.4 113.0 98 174 A T S S+ 0 0 74 1,-0.2 -19,-0.1 -18,-0.1 -3,-0.0 0.950 97.0 23.4 -66.1 -45.7 29.7 76.6 110.9 99 175 A N S S- 0 0 40 -21,-0.5 -21,-0.4 -19,-0.1 -3,-0.3 -0.919 111.6 -89.9-118.4 149.4 27.5 73.6 111.3 100 176 A P - 0 0 100 0, 0.0 -22,-0.7 0, 0.0 2,-0.3 -0.130 37.2-147.5 -65.8 152.4 23.9 74.1 112.0 101 177 A S E -E 77 0B 30 -24,-0.2 2,-0.5 -4,-0.1 -24,-0.3 -0.761 9.6-131.7-114.4 161.7 22.7 74.3 115.6 102 178 A I E -E 76 0B 39 -26,-3.1 -26,-3.9 -2,-0.3 2,-0.5 -0.942 13.1-163.7-116.9 133.8 19.3 73.2 116.8 103 179 A I E +E 75 0B 91 -2,-0.5 2,-0.3 -28,-0.2 -28,-0.2 -0.970 17.1 170.0-115.8 128.7 17.1 75.2 119.0 104 180 A S E -E 74 0B 11 -30,-2.4 -30,-2.6 -2,-0.5 2,-0.2 -0.957 30.0-121.9-134.1 153.4 14.3 73.5 120.8 105 181 A K E -E 73 0B 105 -2,-0.3 -32,-0.2 -32,-0.2 6,-0.1 -0.639 16.3-132.7 -89.1 152.1 11.9 74.5 123.5 106 182 A M S S+ 0 0 30 -34,-2.1 -1,-0.1 -2,-0.2 -44,-0.1 0.933 114.6 48.2 -63.7 -43.7 11.8 72.6 126.8 107 183 A A S S+ 0 0 77 -35,-0.2 -1,-0.2 -3,-0.1 -34,-0.1 0.903 95.5 90.6 -62.6 -40.0 8.0 72.6 126.3 108 184 A D S S- 0 0 75 1,-0.1 3,-0.2 0, 0.0 -4,-0.0 -0.259 96.8 -99.5 -59.9 144.6 8.5 71.4 122.8 109 185 A P - 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0 0 47 -2,-0.1 3,-0.1 3,-0.0 2,-0.1 -0.962 62.7 -98.0-177.8 166.4 33.4 63.5 102.0 122 198 A S S S- 0 0 98 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.158 75.4 -51.2 -81.2-172.4 33.2 60.2 100.4 123 199 A A 0 0 56 1,-0.1 -1,-0.3 -70,-0.1 -70,-0.2 -0.308 360.0 360.0 -63.6 150.5 32.1 57.2 102.4 124 200 A Y 0 0 66 -72,-1.4 -72,-1.0 -3,-0.1 -1,-0.1 -0.686 360.0 360.0 -98.4 360.0 34.0 56.9 105.7 125 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 126 223 A M 0 0 141 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.6 40.8 66.5 109.9 127 224 A C > + 0 0 81 -46,-0.1 3,-1.1 2,-0.1 4,-0.3 0.939 360.0 50.9 -59.2 -65.2 39.8 66.5 113.5 128 225 A P G > S+ 0 0 14 0, 0.0 3,-0.7 0, 0.0 -9,-0.1 0.886 119.6 37.7 -55.8 -39.5 35.5 66.2 112.9 129 226 A N G 3 S+ 0 0 36 1,-0.2 3,-0.2 -11,-0.0 -2,-0.1 0.291 116.5 53.0 -84.6 8.0 35.8 63.3 110.5 130 227 A N G < S+ 0 0 122 -3,-1.1 2,-0.3 1,-0.9 -1,-0.2 0.370 126.8 12.7-127.2 -9.0 38.7 61.5 112.4 131 228 A M S < S- 0 0 104 -3,-0.7 -1,-0.9 -4,-0.3 -96,-0.1 -0.638 102.7-104.6-171.0 128.1 37.2 61.3 115.9 132 229 A M - 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