==== 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 4AGK . 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) . 8021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 64.5 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 . 62 40.8 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 . 14 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.5 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 4 2 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 0 134 0, 0.0 63,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 109.7 -21.3 4.3 -1.5 2 117 A R + 0 0 100 1,-0.1 17,-2.4 63,-0.1 2,-0.4 0.175 360.0 75.4-126.1 12.5 -19.5 5.0 -4.8 3 118 A T E -A 18 0A 38 15,-0.2 2,-0.4 62,-0.1 15,-0.2 -0.995 62.6-167.6-131.6 125.4 -19.2 1.4 -6.2 4 119 A F E -A 17 0A 5 13,-3.0 13,-2.6 -2,-0.4 32,-0.1 -0.938 20.3-120.8-125.8 133.5 -22.3 -0.2 -7.7 5 120 A A E -A 16 0A 16 -2,-0.4 30,-2.9 30,-0.2 2,-0.6 -0.381 18.5-144.3 -66.0 141.9 -23.0 -3.9 -8.7 6 121 A V E -AB 15 34A 0 9,-2.7 8,-3.3 28,-0.2 9,-0.9 -0.975 25.1-160.3-109.7 119.0 -23.9 -4.5 -12.4 7 122 A K E -AB 13 33A 59 26,-3.0 26,-2.7 -2,-0.6 6,-0.2 -0.818 12.8-138.3-112.4 138.9 -26.5 -7.2 -12.4 8 123 A N > - 0 0 45 4,-2.4 3,-2.3 -2,-0.4 24,-0.1 -0.270 48.5 -84.3 -79.4 179.4 -27.7 -9.6 -15.2 9 124 A E T 3 S+ 0 0 207 1,-0.3 -1,-0.1 2,-0.1 23,-0.0 0.752 132.3 52.7 -61.6 -27.0 -31.4 -10.4 -15.6 10 125 A D T 3 S- 0 0 155 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.521 121.3-109.2 -77.0 -11.4 -31.2 -13.1 -12.9 11 126 A G < + 0 0 39 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.516 68.0 149.7 86.8 9.7 -29.7 -10.6 -10.5 12 127 A K - 0 0 136 1,-0.1 -4,-2.4 2,-0.0 2,-0.5 -0.562 54.9-111.4 -72.2 132.8 -26.2 -12.2 -10.6 13 128 A I E +A 7 0A 72 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.597 37.3 175.7 -65.4 116.4 -23.3 -9.7 -10.1 14 129 A M E - 0 0 55 -8,-3.3 87,-0.6 -2,-0.5 89,-0.3 0.652 60.7 -58.3 -93.6 -23.3 -21.4 -9.4 -13.4 15 130 A G E -A 6 0A 0 -9,-0.9 -9,-2.7 87,-0.1 -1,-0.3 -0.955 63.4 -73.7 165.0-161.3 -19.0 -6.6 -12.3 16 131 A Y E -A 5 0A 35 87,-2.7 2,-0.3 -2,-0.3 -11,-0.2 -0.891 15.9-156.0-134.4 149.0 -19.0 -3.1 -11.0 17 132 A A E -A 4 0A 0 -13,-2.6 -13,-3.0 -2,-0.3 2,-0.4 -0.842 19.9-153.7-110.8 155.1 -19.5 0.6 -11.8 18 133 A V E -AC 3 25A 0 7,-2.4 7,-2.5 -2,-0.3 2,-0.6 -0.972 16.4-130.5-129.5 149.6 -17.9 3.5 -9.9 19 134 A A E + C 0 24A 0 -17,-2.4 47,-3.4 -2,-0.4 2,-0.3 -0.893 43.2 160.0 -91.0 121.7 -18.8 7.1 -9.3 20 135 A M E > -dC 66 23A 3 3,-2.3 3,-1.3 -2,-0.6 47,-0.2 -0.930 57.6 -21.2-151.3 123.4 -15.7 9.1 -10.1 21 136 A E T 3 S- 0 0 99 45,-2.0 3,-0.1 -2,-0.3 46,-0.1 0.906 126.4 -41.7 45.5 58.1 -15.2 12.7 -10.9 22 137 A G T 3 S+ 0 0 29 40,-0.3 35,-2.3 1,-0.2 2,-0.3 0.533 121.7 90.5 74.0 8.9 -18.7 13.5 -12.1 23 138 A K E < -CE 20 56A 71 -3,-1.3 -3,-2.3 33,-0.3 2,-0.5 -0.891 68.6-134.2-125.4 158.5 -19.1 10.3 -14.1 24 139 A V E -CE 19 55A 0 31,-2.8 31,-2.2 -2,-0.3 2,-0.4 -0.978 36.5-172.0-103.1 129.5 -20.4 6.8 -13.6 25 140 A I E +CE 18 54A 5 -7,-2.5 -7,-2.4 -2,-0.5 29,-0.2 -0.978 13.7 162.6-126.7 136.5 -17.8 4.5 -15.2 26 141 A K E - E 0 53A 4 27,-2.5 27,-2.6 -2,-0.4 -9,-0.2 -0.984 46.4 -92.0-147.4 153.3 -17.9 0.8 -15.9 27 142 A P E > - E 0 52A 0 0, 0.0 3,-1.2 0, 0.0 25,-0.3 -0.460 35.3-132.6 -61.1 137.4 -16.0 -1.7 -18.1 28 143 A L T 3 S+ 0 0 22 23,-1.3 24,-0.1 1,-0.2 20,-0.1 0.885 102.5 59.7 -60.9 -36.0 -17.8 -2.0 -21.5 29 144 A H T 3 S+ 0 0 35 22,-0.3 2,-0.7 2,-0.1 -1,-0.2 0.632 78.8 98.1 -71.5 -14.6 -17.6 -5.8 -21.4 30 145 A V < - 0 0 3 -3,-1.2 2,-0.5 -14,-0.1 -15,-0.1 -0.669 66.5-155.1 -76.8 108.1 -19.6 -6.1 -18.1 31 146 A K + 0 0 117 -2,-0.7 2,-0.3 -17,-0.1 -2,-0.1 -0.763 44.9 58.9 -96.8 129.2 -23.1 -6.8 -19.3 32 147 A G S S- 0 0 41 -2,-0.5 2,-0.4 -24,-0.1 -24,-0.2 -0.927 80.9 -63.0 152.3-169.9 -26.1 -6.0 -17.1 33 148 A T E -B 7 0A 83 -26,-2.7 -26,-3.0 -2,-0.3 2,-0.2 -0.925 47.1-111.7-114.3 134.7 -27.9 -3.1 -15.3 34 149 A I E -B 6 0A 8 -2,-0.4 2,-2.0 -28,-0.3 -28,-0.2 -0.453 29.4-125.8 -64.3 133.5 -26.4 -1.0 -12.5 35 150 A D S S+ 0 0 95 -30,-2.9 -30,-0.2 -2,-0.2 -1,-0.1 -0.492 78.4 94.9 -87.8 64.8 -28.2 -1.8 -9.3 36 151 A H >> - 0 0 51 -2,-2.0 4,-2.4 -32,-0.1 3,-1.5 -0.888 69.1-140.2-158.6 127.2 -29.1 1.8 -8.5 37 152 A P T 34 S+ 0 0 128 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.844 105.8 48.2 -58.3 -39.1 -32.3 3.7 -9.2 38 153 A A T 34 S+ 0 0 20 1,-0.2 22,-0.1 2,-0.1 23,-0.1 0.628 121.0 37.6 -75.0 -14.3 -30.5 6.9 -10.1 39 154 A L T X4 S+ 0 0 0 -3,-1.5 3,-1.2 -5,-0.1 -5,-0.2 0.666 90.1 85.1-115.7 -25.1 -28.0 5.0 -12.4 40 155 A A T 3< S+ 0 0 39 -4,-2.4 -6,-0.2 1,-0.2 -2,-0.1 0.865 99.9 31.7 -50.6 -49.6 -30.0 2.2 -14.2 41 156 A K T 3 S+ 0 0 202 -4,-0.4 -1,-0.2 -8,-0.1 -2,-0.1 0.076 83.4 133.2-108.4 22.7 -31.3 4.2 -17.1 42 157 A L < - 0 0 51 -3,-1.2 2,-0.7 1,-0.1 -3,-0.1 -0.247 65.4-103.1 -64.8 158.2 -28.6 6.8 -17.8 43 158 A K - 0 0 190 13,-0.1 13,-0.4 2,-0.0 2,-0.3 -0.790 42.4-156.4 -86.4 116.6 -27.4 7.5 -21.4 44 159 A F - 0 0 50 -2,-0.7 2,-0.4 11,-0.1 11,-0.2 -0.705 11.2-150.1 -96.5 149.9 -24.0 5.8 -21.7 45 160 A T E -F 54 0A 79 9,-2.3 9,-2.1 -2,-0.3 2,-0.4 -0.968 22.0-144.9-116.1 130.6 -21.2 6.6 -24.2 46 161 A K E -F 53 0A 124 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.821 16.9-170.1-109.1 133.3 -19.2 3.6 -25.2 47 162 A S E >>> -F 52 0A 33 5,-3.2 5,-1.9 -2,-0.4 4,-0.8 -0.870 3.0-177.4-119.9 101.9 -15.4 3.3 -26.0 48 163 A S G >45S+ 0 0 101 -2,-0.5 3,-0.5 1,-0.2 -1,-0.1 0.839 81.9 62.8 -61.4 -37.7 -14.4 -0.0 -27.4 49 164 A S G 345S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 94,-0.1 0.799 115.8 29.9 -57.7 -32.6 -10.8 1.0 -27.5 50 165 A Y G <45S- 0 0 91 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.402 103.3-123.1-110.6 3.2 -10.6 1.4 -23.7 51 166 A D T <<5S+ 0 0 18 -4,-0.8 -23,-1.3 -3,-0.5 2,-0.3 0.892 73.4 120.5 51.2 44.1 -13.2 -1.2 -22.8 52 167 A M E < -EF 27 47A 11 -5,-1.9 -5,-3.2 -25,-0.3 2,-0.3 -0.970 43.9-171.0-135.9 152.2 -15.1 1.5 -20.9 53 168 A E E -EF 26 46A 12 -27,-2.6 -27,-2.5 -2,-0.3 2,-0.3 -0.972 14.7-173.6-137.2 149.9 -18.5 3.2 -20.9 54 169 A F E -EF 25 45A 87 -9,-2.1 -9,-2.3 -2,-0.3 2,-0.3 -0.976 12.1-171.8-144.3 154.4 -19.5 6.3 -19.0 55 170 A A E -E 24 0A 4 -31,-2.2 -31,-2.8 -2,-0.3 2,-0.2 -0.933 42.0 -87.1-139.2 160.8 -22.4 8.5 -18.2 56 171 A K E -E 23 0A 158 -13,-0.4 -33,-0.3 -2,-0.3 -13,-0.1 -0.540 49.6-112.3 -67.1 131.1 -22.8 11.8 -16.4 57 172 A L - 0 0 0 -35,-2.3 -1,-0.1 -2,-0.2 5,-0.1 -0.542 37.9-106.3 -67.5 126.3 -23.2 11.3 -12.6 58 173 A P > - 0 0 13 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.292 26.0-118.5 -58.8 140.1 -26.7 12.3 -11.4 59 174 A T G > S+ 0 0 111 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.720 112.1 64.4 -62.2 -21.8 -26.7 15.5 -9.6 60 175 A E G 3 S+ 0 0 148 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.932 106.0 44.7 -60.8 -41.4 -28.0 13.8 -6.5 61 176 A M G < S+ 0 0 17 -3,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.204 79.0 123.4 -88.4 20.8 -24.8 11.8 -6.3 62 177 A K S < S+ 0 0 93 -3,-1.2 -40,-0.3 1,-0.2 -1,-0.2 0.886 80.8 29.8 -47.3 -56.2 -22.6 14.9 -7.0 63 178 A S S S+ 0 0 106 -3,-0.4 2,-1.5 -4,-0.2 -1,-0.2 0.631 102.9 80.8 -84.3 -17.1 -20.4 14.7 -3.9 64 179 A D S S+ 0 0 84 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.2 -0.574 73.2 102.6 -93.5 72.6 -20.5 10.9 -3.4 65 180 A A S S- 0 0 19 -2,-1.5 -45,-0.3 -47,-0.0 2,-0.1 -0.985 72.1-101.9-148.8 148.9 -17.9 10.0 -5.9 66 181 A F B -d 20 0A 13 -47,-3.4 -45,-2.0 -2,-0.3 2,-0.3 -0.383 28.4-130.2 -64.7 149.9 -14.2 8.9 -5.9 67 182 A G - 0 0 23 45,-0.4 47,-2.9 -47,-0.2 2,-0.3 -0.707 22.5-137.7 -89.2 151.6 -11.4 11.3 -6.7 68 183 A Y B -g 114 0B 24 -2,-0.3 2,-0.4 45,-0.2 47,-0.2 -0.865 15.9-164.6-109.8 145.8 -8.8 10.1 -9.3 69 184 A T - 0 0 23 45,-2.5 66,-0.1 -2,-0.3 68,-0.0 -0.998 23.0-159.3-132.4 137.6 -5.0 10.5 -9.0 70 185 A T + 0 0 47 -2,-0.4 2,-0.8 64,-0.1 67,-0.1 0.465 68.3 106.8 -80.3 -7.4 -2.3 10.1 -11.6 71 186 A E + 0 0 122 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 -0.673 36.7 155.5 -77.2 108.8 0.3 9.7 -8.7 72 187 A H + 0 0 39 -2,-0.8 3,-0.1 37,-0.0 -1,-0.1 -0.414 14.9 178.6-128.3 57.4 1.1 6.0 -8.8 73 188 A P - 0 0 86 0, 0.0 13,-0.1 0, 0.0 2,-0.0 -0.200 44.7 -85.6 -61.7 160.9 4.5 5.6 -7.3 74 189 A E S S+ 0 0 129 11,-0.1 2,-0.3 1,-0.0 13,-0.2 -0.373 90.1 70.4 -62.1 138.4 5.8 2.0 -7.1 75 190 A G E S-H 86 0B 29 11,-2.0 11,-3.3 -3,-0.1 2,-0.4 -0.992 84.7 -28.3 156.3-142.6 4.6 0.2 -3.9 76 191 A F E -H 85 0B 124 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.858 46.3-178.6-115.2 144.6 1.3 -1.2 -2.7 77 192 A Y E -H 84 0B 16 7,-3.6 7,-2.2 -2,-0.4 2,-0.4 -0.637 22.3-110.1-125.8-179.5 -2.3 -0.3 -3.3 78 193 A N E +HI 83 108B 65 30,-2.8 30,-3.0 5,-0.2 2,-0.3 -0.912 31.6 157.9-120.5 143.5 -5.8 -1.4 -2.1 79 194 A W E > -H 82 0B 20 3,-2.1 3,-2.3 -2,-0.4 28,-0.1 -0.934 57.8 -83.0-151.3 179.6 -8.7 -3.2 -3.6 80 195 A H T 3 S+ 0 0 138 26,-0.4 3,-0.1 1,-0.3 27,-0.1 0.802 124.9 44.9 -54.3 -34.5 -11.6 -5.2 -2.4 81 196 A H T 3 S- 0 0 80 1,-0.2 2,-0.4 16,-0.0 -1,-0.3 0.359 119.1 -91.2 -96.4 5.7 -9.6 -8.4 -2.2 82 197 A G E < S+H 79 0B 37 -3,-2.3 -3,-2.1 11,-0.0 2,-0.2 -0.968 77.4 11.6 134.7-144.6 -6.5 -7.2 -0.6 83 198 A A E -H 78 0B 55 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.493 47.2-165.2 -77.9 141.3 -3.1 -5.8 -1.6 84 199 A V E -H 77 0B 0 -7,-2.2 -7,-3.6 -2,-0.2 2,-0.3 -0.993 12.6-148.1-125.6 118.6 -2.2 -4.7 -5.2 85 200 A Q E -HJ 76 92B 62 7,-2.2 7,-2.1 -2,-0.5 2,-0.5 -0.678 5.7-160.8 -80.9 139.3 1.4 -4.3 -6.0 86 201 A F E +HJ 75 91B 29 -11,-3.3 -11,-2.0 -2,-0.3 2,-0.3 -0.977 32.0 137.3-119.8 118.4 2.4 -1.7 -8.5 87 202 A S E > + J 0 90B 55 3,-2.4 3,-1.6 -2,-0.5 -2,-0.0 -0.961 61.3 11.7-156.3 143.1 5.9 -2.2 -9.9 88 203 A G T 3 S- 0 0 57 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.857 129.9 -58.3 57.1 38.5 7.5 -2.0 -13.4 89 204 A G T 3 S+ 0 0 47 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.577 117.0 108.2 68.3 14.6 4.4 -0.4 -14.8 90 205 A R E < -J 87 0B 79 -3,-1.6 -3,-2.4 41,-0.0 2,-0.5 -0.975 60.5-144.4-130.4 140.9 2.2 -3.3 -13.7 91 206 A F E -JK 86 130B 5 39,-0.5 39,-3.3 -2,-0.4 2,-0.3 -0.855 30.7-179.8 -96.7 126.9 -0.4 -4.0 -11.1 92 207 A T E -JK 85 129B 9 -7,-2.1 -7,-2.2 -2,-0.5 37,-0.2 -0.934 13.3-176.6-132.1 153.8 -0.3 -7.5 -9.7 93 208 A I E - 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