==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JAN-12 4AGJ . COMPND 2 MOLECULE: CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AURA VIRUS; . AUTHOR M.AGGARWAL,P.KUMAR,S.TOMAR . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 40.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 . 12 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 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 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 0 PARALLEL BRIDGES PER LADDER . 1 2 5 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 1 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 1 116 A D 0 0 160 0, 0.0 3,-0.1 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0-162.7 -13.6 4.8 -22.9 2 117 A R + 0 0 92 1,-0.1 17,-2.7 63,-0.1 2,-0.4 0.196 360.0 78.9-148.3 6.3 -15.3 5.3 -19.4 3 118 A T E -A 18 0A 36 15,-0.2 2,-0.4 62,-0.1 15,-0.2 -0.998 62.0-165.8-126.4 128.8 -15.6 1.8 -18.0 4 119 A F E -A 17 0A 21 13,-3.1 13,-2.5 -2,-0.4 2,-0.1 -0.955 20.3-121.6-124.7 134.1 -12.5 0.1 -16.6 5 120 A A E -A 16 0A 17 -2,-0.4 30,-2.9 11,-0.2 2,-0.5 -0.453 20.1-145.2 -64.0 138.0 -11.7 -3.5 -15.6 6 121 A V E -AB 15 34A 0 9,-2.4 8,-3.4 28,-0.2 9,-1.0 -0.963 25.9-160.7-109.4 121.7 -10.7 -4.0 -11.9 7 122 A K E -AB 13 33A 55 26,-2.2 26,-2.5 -2,-0.5 6,-0.2 -0.821 13.2-137.5-115.9 144.5 -8.1 -6.7 -11.9 8 123 A N > - 0 0 22 4,-2.1 3,-1.7 -2,-0.3 24,-0.1 -0.248 47.2 -84.4 -84.9-176.9 -6.8 -9.0 -9.2 9 124 A E T 3 S+ 0 0 152 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.829 131.5 53.8 -62.5 -33.8 -3.0 -9.8 -8.7 10 125 A D T 3 S- 0 0 137 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.432 121.0-111.6 -73.6 -1.8 -3.1 -12.6 -11.4 11 126 A G < + 0 0 41 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.705 68.4 146.9 71.7 24.4 -4.6 -9.9 -13.8 12 127 A K - 0 0 137 1,-0.0 -4,-2.1 2,-0.0 2,-0.4 -0.689 56.9-105.9 -85.2 140.4 -8.1 -11.5 -13.9 13 128 A I E +A 7 0A 71 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.602 39.6 172.6 -72.8 122.2 -11.1 -9.2 -14.3 14 129 A M E - 0 0 52 -8,-3.4 87,-0.5 -2,-0.4 89,-0.3 0.638 61.6 -48.4 -98.3 -25.0 -13.0 -9.0 -10.9 15 130 A G E -A 6 0A 0 -9,-1.0 -9,-2.4 87,-0.1 2,-0.3 -0.919 63.6 -83.1 171.3-163.2 -15.5 -6.2 -11.8 16 131 A Y E -A 5 0A 32 87,-2.0 2,-0.3 -2,-0.3 -11,-0.2 -0.945 16.8-158.2-139.8 142.8 -15.6 -2.7 -13.3 17 132 A A E -A 4 0A 0 -13,-2.5 -13,-3.1 -2,-0.3 2,-0.3 -0.871 19.5-152.0-109.2 155.0 -15.1 0.9 -12.3 18 133 A V E -AC 3 25A 0 7,-2.9 7,-2.3 -2,-0.3 2,-0.6 -0.925 16.1-127.6-124.7 157.5 -16.7 3.8 -14.3 19 134 A A E + C 0 24A 1 -17,-2.7 47,-2.7 -2,-0.3 2,-0.3 -0.930 45.1 162.5 -94.0 119.2 -15.8 7.4 -14.9 20 135 A M E > -dC 66 23A 4 3,-2.9 3,-1.0 -2,-0.6 47,-0.2 -0.898 56.3 -21.3-150.7 123.2 -18.9 9.4 -14.0 21 136 A E T 3 S- 0 0 101 45,-1.9 3,-0.1 -2,-0.3 46,-0.1 0.944 127.3 -45.0 47.8 51.4 -19.6 13.1 -13.2 22 137 A G T 3 S+ 0 0 16 1,-0.2 35,-2.7 39,-0.2 2,-0.3 0.598 122.0 97.5 74.9 11.7 -16.0 13.8 -12.2 23 138 A K E < -CE 20 56A 80 -3,-1.0 -3,-2.9 33,-0.3 2,-0.5 -0.883 67.2-136.8-125.3 153.3 -15.6 10.6 -10.1 24 139 A V E -CE 19 55A 0 31,-2.5 31,-2.3 -2,-0.3 2,-0.4 -0.974 35.1-174.2 -98.9 130.6 -14.2 7.1 -10.5 25 140 A I E +CE 18 54A 4 -7,-2.3 -7,-2.9 -2,-0.5 29,-0.2 -0.997 12.5 163.6-133.4 131.3 -16.8 4.9 -8.9 26 141 A K E - E 0 53A 6 27,-2.4 27,-2.4 -2,-0.4 -9,-0.2 -0.973 45.6 -91.5-139.1 156.2 -16.6 1.1 -8.3 27 142 A P E > - E 0 52A 0 0, 0.0 3,-1.0 0, 0.0 25,-0.3 -0.381 34.7-131.7 -64.0 139.8 -18.5 -1.4 -6.1 28 143 A L T 3 S+ 0 0 40 23,-1.5 24,-0.1 1,-0.2 23,-0.1 0.883 102.5 58.2 -62.4 -34.9 -16.8 -1.7 -2.9 29 144 A H T 3 S+ 0 0 46 22,-0.3 2,-0.7 2,-0.1 -1,-0.2 0.695 78.8 104.2 -71.5 -15.5 -16.9 -5.5 -2.9 30 145 A V < - 0 0 5 -3,-1.0 2,-0.4 -14,-0.1 -15,-0.1 -0.555 66.4-149.9 -71.0 107.1 -14.9 -5.7 -6.2 31 146 A K + 0 0 103 -2,-0.7 2,-0.3 -17,-0.1 -17,-0.1 -0.656 48.0 49.0 -86.0 125.0 -11.4 -6.6 -5.1 32 147 A G S S- 0 0 42 -2,-0.4 2,-0.4 -24,-0.1 -24,-0.2 -0.950 80.5 -58.7 150.5-167.8 -8.5 -5.3 -7.2 33 148 A T E -B 7 0A 79 -26,-2.5 -26,-2.2 -2,-0.3 7,-0.1 -0.965 48.8-114.0-121.1 127.4 -6.8 -2.5 -9.0 34 149 A I E -B 6 0A 6 -2,-0.4 2,-1.5 6,-0.3 -28,-0.2 -0.405 30.0-124.5 -61.0 140.2 -8.4 -0.5 -11.7 35 150 A D S S+ 0 0 92 -30,-2.9 -30,-0.2 4,-0.1 -1,-0.1 -0.396 78.2 95.7 -90.9 59.4 -6.6 -1.2 -15.0 36 151 A H >> - 0 0 46 -2,-1.5 4,-2.3 1,-0.1 3,-1.3 -0.971 69.9-138.5-145.8 128.4 -5.7 2.4 -15.9 37 152 A P T 34 S+ 0 0 128 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.866 106.9 47.5 -55.6 -36.8 -2.5 4.1 -15.2 38 153 A A T 34 S+ 0 0 25 1,-0.2 -3,-0.1 2,-0.1 0, 0.0 0.567 120.9 36.9 -79.6 -10.3 -4.3 7.3 -14.2 39 154 A L T X4 S+ 0 0 0 -3,-1.3 3,-1.2 -5,-0.1 -5,-0.2 0.652 90.7 87.2-114.9 -21.8 -6.8 5.5 -12.0 40 155 A A T 3< S+ 0 0 34 -4,-2.3 -6,-0.3 1,-0.3 -2,-0.1 0.811 99.0 28.2 -56.5 -41.5 -4.9 2.7 -10.3 41 156 A K T 3 S+ 0 0 207 -4,-0.4 -1,-0.3 -8,-0.1 -2,-0.1 -0.125 82.9 131.1-122.4 35.7 -3.5 4.5 -7.2 42 157 A L < - 0 0 56 -3,-1.2 2,-0.7 1,-0.1 -3,-0.1 -0.341 68.8 -93.7 -77.8 167.1 -5.9 7.4 -6.4 43 158 A K - 0 0 196 13,-0.1 13,-0.4 -2,-0.1 2,-0.3 -0.804 46.4-157.7 -87.7 114.4 -7.2 7.9 -2.8 44 159 A F - 0 0 51 -2,-0.7 2,-0.4 11,-0.1 11,-0.2 -0.746 9.5-149.9 -94.9 141.3 -10.6 6.1 -2.5 45 160 A T E -F 54 0A 83 9,-2.3 9,-1.9 -2,-0.3 2,-0.4 -0.936 20.3-146.1-111.5 132.3 -13.3 6.8 -0.0 46 161 A K E -F 53 0A 138 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.870 15.5-169.7-115.5 131.5 -15.3 3.8 1.0 47 162 A S E > -F 52 0A 34 5,-3.4 5,-2.3 -2,-0.4 3,-0.4 -0.905 4.2-175.5-123.9 102.0 -19.0 3.6 1.9 48 163 A S T > 5S+ 0 0 107 -2,-0.5 3,-1.0 1,-0.2 -1,-0.1 0.855 82.5 63.3 -55.8 -47.4 -20.2 0.2 3.3 49 164 A S T 3 5S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 94,-0.1 0.876 116.4 28.9 -41.9 -49.8 -23.8 1.3 3.4 50 165 A Y T 3 5S- 0 0 92 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.292 102.5-122.6-104.2 10.3 -24.0 1.6 -0.4 51 166 A D T < 5S+ 0 0 18 -3,-1.0 -23,-1.5 -4,-0.4 2,-0.3 0.931 72.7 128.5 46.2 50.2 -21.3 -1.0 -1.3 52 167 A M E < -EF 27 47A 9 -5,-2.3 -5,-3.4 -25,-0.3 2,-0.3 -0.980 39.8-178.0-139.2 142.1 -19.5 1.9 -3.1 53 168 A E E +EF 26 46A 15 -27,-2.4 -27,-2.4 -2,-0.3 2,-0.3 -0.989 14.1 178.1-137.0 151.0 -16.1 3.5 -3.3 54 169 A F E -EF 25 45A 72 -9,-1.9 -9,-2.3 -2,-0.3 2,-0.3 -0.961 14.1-165.7-152.3 151.4 -15.1 6.5 -5.3 55 170 A A E -E 24 0A 5 -31,-2.3 -31,-2.5 -2,-0.3 2,-0.3 -0.927 41.7 -87.1-134.4 164.4 -12.2 8.8 -6.1 56 171 A K E -E 23 0A 150 -13,-0.4 -33,-0.3 -2,-0.3 -13,-0.1 -0.559 49.0-113.8 -74.3 130.7 -11.9 12.2 -7.8 57 172 A L - 0 0 1 -35,-2.7 5,-0.1 -2,-0.3 2,-0.1 -0.482 35.5-106.7 -65.3 130.0 -11.5 11.8 -11.7 58 173 A P > - 0 0 16 0, 0.0 3,-3.1 0, 0.0 4,-0.2 -0.427 32.1-111.1 -65.8 141.8 -8.1 12.9 -12.9 59 174 A T G > S+ 0 0 121 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.660 112.8 66.6 -54.2 -35.5 -8.4 16.3 -14.7 60 175 A E G 3 S+ 0 0 137 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.813 101.8 49.7 -40.3 -41.1 -7.6 14.7 -18.1 61 176 A M G X> S+ 0 0 12 -3,-3.1 4,-1.9 1,-0.2 3,-1.5 0.361 72.0 105.4 -98.0 2.8 -10.8 12.8 -18.1 62 177 A K T <4 S+ 0 0 128 -3,-1.2 -1,-0.2 1,-0.3 -40,-0.1 0.691 87.3 44.5 -64.8 -23.1 -13.6 15.4 -17.2 63 178 A S T 34 S+ 0 0 123 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.526 112.8 56.3 -90.7 -9.3 -15.0 15.5 -20.8 64 179 A D T <4 S+ 0 0 73 -3,-1.5 -2,-0.2 -4,-0.1 -3,-0.1 0.952 82.1 99.5 -83.6 -59.9 -14.8 11.7 -21.0 65 180 A A S < S- 0 0 18 -4,-1.9 -45,-0.3 1,-0.1 -63,-0.1 0.269 76.9-102.3 -30.5 140.7 -16.9 10.6 -18.0 66 181 A F B -d 20 0A 10 -47,-2.7 -45,-1.9 -64,-0.2 2,-0.3 -0.341 29.8-125.3 -56.8 148.1 -20.6 9.4 -18.3 67 182 A G - 0 0 22 45,-0.3 47,-3.0 -47,-0.2 2,-0.3 -0.664 21.2-136.9 -86.3 150.2 -23.5 11.7 -17.3 68 183 A Y B -g 114 0B 31 -2,-0.3 2,-0.3 45,-0.2 47,-0.2 -0.807 16.9-166.0-100.2 149.9 -25.9 10.4 -14.7 69 184 A T - 0 0 26 45,-2.2 66,-0.2 -2,-0.3 68,-0.0 -0.996 22.4-157.4-136.1 141.0 -29.7 10.9 -15.1 70 185 A T S S+ 0 0 49 -2,-0.3 2,-1.0 64,-0.1 67,-0.1 0.416 70.2 104.4 -86.1 -6.1 -32.5 10.4 -12.5 71 186 A E + 0 0 119 1,-0.1 -2,-0.0 2,-0.0 -1,-0.0 -0.756 35.7 151.1 -79.1 99.3 -35.0 10.0 -15.3 72 187 A H - 0 0 36 -2,-1.0 3,-0.1 43,-0.0 -1,-0.1 -0.549 19.1-179.2-122.1 65.6 -35.7 6.2 -15.4 73 188 A P - 0 0 87 0, 0.0 13,-0.1 0, 0.0 -2,-0.0 -0.256 45.8 -80.9 -61.4 155.3 -39.2 5.9 -16.7 74 189 A E S S+ 0 0 131 11,-0.1 2,-0.3 1,-0.0 13,-0.2 -0.350 91.7 77.3 -46.1 132.3 -40.5 2.3 -17.0 75 190 A G E S-H 86 0B 30 11,-1.7 11,-3.1 -3,-0.1 2,-0.3 -0.978 83.0 -37.2 161.0-156.5 -39.2 0.6 -20.1 76 191 A F E -H 85 0B 123 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.843 46.5-175.6-105.5 148.3 -36.0 -1.0 -21.4 77 192 A Y E -H 84 0B 17 7,-2.6 7,-2.4 -2,-0.3 2,-0.3 -0.688 21.6-110.1-132.0 175.3 -32.3 0.1 -20.8 78 193 A N E +HI 83 108B 64 30,-3.1 30,-3.0 5,-0.2 2,-0.3 -0.866 32.3 160.0-120.2 144.2 -28.9 -1.1 -22.1 79 194 A W E > -H 82 0B 19 3,-1.6 3,-2.1 -2,-0.3 28,-0.1 -0.928 57.1 -85.7-149.6 176.8 -25.9 -2.9 -20.6 80 195 A H T 3 S+ 0 0 131 26,-0.4 3,-0.1 -2,-0.3 27,-0.1 0.843 126.5 44.9 -52.1 -36.9 -23.0 -4.8 -21.9 81 196 A H T 3 S- 0 0 77 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.378 118.8 -96.7 -94.1 5.4 -25.0 -8.1 -22.0 82 197 A G E < S+H 79 0B 35 -3,-2.1 -3,-1.6 11,-0.0 2,-0.2 -0.936 76.2 17.0 129.4-146.6 -28.2 -6.7 -23.6 83 198 A A E -H 78 0B 58 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.472 48.5-167.2 -73.5 136.1 -31.7 -5.5 -22.5 84 199 A V E -H 77 0B 0 -7,-2.4 -7,-2.6 -2,-0.2 2,-0.3 -0.989 14.1-147.1-118.5 119.1 -32.4 -4.4 -18.9 85 200 A Q E -HJ 76 92B 60 7,-2.4 7,-2.2 -2,-0.5 2,-0.5 -0.653 5.7-159.3 -83.4 140.4 -36.1 -4.0 -18.1 86 201 A F E +HJ 75 91B 31 -11,-3.1 -11,-1.7 -2,-0.3 2,-0.3 -0.979 32.5 139.4-119.9 119.9 -37.1 -1.4 -15.5 87 202 A S E > + J 0 90B 51 3,-2.2 3,-1.6 -2,-0.5 -2,-0.0 -0.974 61.0 7.0-162.7 133.9 -40.6 -2.1 -14.1 88 203 A G T 3 S- 0 0 61 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.875 130.8 -53.5 57.3 39.4 -42.2 -1.8 -10.6 89 204 A G T 3 S+ 0 0 51 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.490 118.4 102.9 72.5 9.7 -39.1 -0.2 -9.1 90 205 A R E < -J 87 0B 78 -3,-1.6 -3,-2.2 41,-0.0 2,-0.4 -0.959 62.0-140.9-131.0 145.2 -36.7 -3.0 -10.3 91 206 A F E -J 86 0B 5 39,-0.5 39,-3.4 -2,-0.4 2,-0.3 -0.830 31.7-178.4 -94.8 133.8 -34.2 -3.7 -13.0 92 207 A T E -JK 85 129B 10 -7,-2.2 -7,-2.4 -2,-0.4 37,-0.2 -0.966 13.3-176.1-137.2 152.1 -34.3 -7.2 -14.4 93 208 A I E - 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