==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAY-12 4AUS . COMPND 2 MOLECULE: CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AURA VIRUS; . AUTHOR M.AGGARWAL,P.KUMAR,S.TOMAR . 306 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 37.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 RESIDUES PER ALPHA HELIX . 4 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 . 2 2 10 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 2 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 -1 A H 0 0 204 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.9 -13.6 -20.7 1.8 2 0 A M - 0 0 181 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.218 360.0 -65.8 -73.1 153.6 -15.1 -18.7 4.6 3 110 A A - 0 0 100 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.308 67.8-104.1 -41.2 136.1 -16.2 -14.7 3.6 4 111 A L - 0 0 110 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.457 32.3-140.1 -66.5 135.3 -13.0 -12.9 2.7 5 112 A K - 0 0 149 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.758 19.6-178.4 -99.6 145.8 -11.7 -10.6 5.4 6 113 A F + 0 0 183 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.382 62.3 63.0-125.7 -2.0 -10.2 -7.2 4.4 7 114 A E S S- 0 0 164 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.972 79.0-118.9-128.5 145.8 -9.1 -5.8 7.8 8 115 A A - 0 0 43 -2,-0.3 2,-0.7 -3,-0.1 61,-0.0 -0.581 22.7-135.8 -79.0 138.7 -6.5 -7.0 10.4 9 116 A D + 0 0 73 -2,-0.3 63,-0.1 1,-0.1 3,-0.1 -0.892 51.8 130.7 -98.3 114.3 -7.9 -7.9 13.8 10 117 A R + 0 0 95 -2,-0.7 17,-2.4 1,-0.3 2,-0.4 0.421 55.4 61.6-145.7 -1.4 -5.6 -6.5 16.5 11 118 A T E -A 26 0A 54 15,-0.2 2,-0.4 62,-0.1 -1,-0.3 -0.999 64.5-173.6-124.7 131.4 -7.7 -4.5 19.1 12 119 A F E -A 25 0A 16 13,-3.1 13,-2.5 -2,-0.4 32,-0.1 -0.983 21.8-125.4-134.0 129.0 -10.3 -6.5 21.0 13 120 A A E -A 24 0A 26 -2,-0.4 30,-1.0 11,-0.2 2,-0.5 -0.414 16.3-147.7 -67.5 145.2 -13.0 -5.5 23.5 14 121 A V E -AB 23 42A 1 9,-2.7 8,-3.5 28,-0.2 9,-1.0 -0.986 25.3-172.4-111.6 123.0 -13.0 -7.2 26.9 15 122 A K E -AB 21 41A 68 26,-2.8 26,-2.9 -2,-0.5 6,-0.2 -0.884 20.8-131.5-123.8 148.1 -16.6 -7.5 28.1 16 123 A N > - 0 0 48 4,-1.9 3,-1.6 -2,-0.3 24,-0.1 -0.248 49.9 -84.1 -79.1-177.8 -18.3 -8.6 31.3 17 124 A E T 3 S+ 0 0 206 1,-0.3 -1,-0.1 2,-0.1 23,-0.0 0.803 131.4 56.6 -55.1 -38.7 -21.3 -11.1 31.3 18 125 A D T 3 S- 0 0 149 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.661 119.6-111.1 -68.8 -18.3 -23.7 -8.2 30.6 19 126 A G < + 0 0 37 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.552 65.4 151.7 92.2 11.1 -21.7 -7.3 27.4 20 127 A K - 0 0 132 1,-0.1 -4,-1.9 2,-0.0 2,-0.5 -0.583 52.4-116.0 -72.0 134.0 -20.4 -4.0 28.9 21 128 A I E +A 15 0A 65 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.641 35.3 177.1 -73.6 118.7 -17.0 -3.0 27.4 22 129 A M E - 0 0 57 -8,-3.5 89,-0.3 -2,-0.5 2,-0.3 0.623 58.2 -62.1 -96.3 -17.4 -14.5 -3.1 30.4 23 130 A G E -A 14 0A 0 -9,-1.0 -9,-2.7 87,-0.1 -1,-0.4 -0.967 60.5 -75.2 156.9-167.1 -11.4 -2.2 28.3 24 131 A Y E -A 13 0A 31 87,-2.9 2,-0.3 -2,-0.3 -11,-0.2 -0.893 16.7-155.7-130.0 151.7 -9.3 -3.6 25.5 25 132 A A E -A 12 0A 0 -13,-2.5 -13,-3.1 -2,-0.3 2,-0.3 -0.904 19.7-152.9-112.3 154.3 -6.7 -6.2 24.6 26 133 A V E -AC 11 33A 0 7,-2.7 7,-2.7 -2,-0.3 2,-0.6 -0.931 16.7-131.9-123.5 151.7 -4.2 -5.8 21.7 27 134 A A E + C 0 32A 0 -17,-2.4 47,-3.0 -2,-0.3 2,-0.3 -0.929 46.9 155.9 -91.8 121.4 -2.3 -8.2 19.5 28 135 A M E > -dC 74 31A 4 3,-2.7 3,-2.0 -2,-0.6 47,-0.2 -0.981 55.4 -13.7-153.8 130.0 1.2 -6.9 19.5 29 136 A E T 3 S- 0 0 113 45,-2.3 46,-0.1 -2,-0.3 3,-0.1 0.866 128.1 -44.4 46.7 50.9 4.7 -8.4 18.9 30 137 A G T 3 S+ 0 0 21 40,-0.3 35,-2.8 1,-0.2 2,-0.3 0.435 122.4 86.9 81.5 0.5 3.6 -12.1 19.1 31 138 A K E < S-CE 28 64A 86 -3,-2.0 -3,-2.7 33,-0.3 2,-0.5 -0.879 71.6-129.0-129.1 157.0 1.3 -11.7 22.2 32 139 A V E -CE 27 63A 0 31,-2.8 31,-1.9 -2,-0.3 2,-0.4 -0.955 39.3-173.3 -98.0 130.9 -2.2 -10.8 23.2 33 140 A I E +CE 26 62A 13 -7,-2.7 -7,-2.7 -2,-0.5 29,-0.2 -0.981 13.5 159.2-133.3 132.9 -1.8 -8.1 25.9 34 141 A K E - E 0 61A 7 27,-2.4 27,-2.6 -2,-0.4 -9,-0.2 -0.978 47.2 -89.1-147.3 158.7 -4.3 -6.4 28.2 35 142 A P E > - E 0 60A 0 0, 0.0 3,-0.8 0, 0.0 25,-0.3 -0.497 33.3-135.1 -66.4 138.9 -4.4 -4.6 31.5 36 143 A L T 3 S+ 0 0 28 23,-1.7 24,-0.1 1,-0.2 20,-0.1 0.875 103.0 58.3 -59.3 -38.3 -4.8 -7.0 34.4 37 144 A H T 3 S+ 0 0 97 22,-0.3 2,-0.9 2,-0.1 -1,-0.2 0.642 81.6 96.5 -72.7 -12.5 -7.4 -4.8 36.1 38 145 A V < - 0 0 4 -3,-0.8 2,-0.5 -14,-0.1 -15,-0.1 -0.677 68.6-160.1 -79.9 106.6 -9.6 -5.0 33.0 39 146 A K + 0 0 118 -2,-0.9 2,-0.3 -17,-0.1 -2,-0.1 -0.795 39.5 50.1-105.3 124.6 -12.0 -7.8 34.0 40 147 A G S S- 0 0 42 -2,-0.5 2,-0.3 -24,-0.1 -24,-0.2 -0.985 79.9 -56.2 154.1-157.7 -14.1 -9.9 31.6 41 148 A T E -B 15 0A 98 -26,-2.9 -26,-2.8 -2,-0.3 2,-0.5 -0.900 36.0-121.3-122.5 146.1 -13.7 -12.0 28.4 42 149 A I E -B 14 0A 10 -2,-0.3 2,-2.4 -28,-0.2 6,-0.2 -0.765 24.2-136.5 -79.7 122.3 -12.4 -11.2 24.9 43 150 A D S S+ 0 0 142 -30,-1.0 -30,-0.1 -2,-0.5 -1,-0.1 -0.502 71.5 108.4 -81.3 69.8 -15.3 -11.9 22.4 44 151 A H > - 0 0 35 -2,-2.4 4,-2.6 1,-0.1 5,-0.2 -0.936 68.5-139.5-144.0 127.4 -12.9 -13.7 20.0 45 152 A P T 4 S+ 0 0 109 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.816 101.2 39.7 -61.8 -34.3 -13.1 -17.4 19.6 46 153 A A T >4 S+ 0 0 18 2,-0.1 3,-0.6 1,-0.1 4,-0.3 0.901 118.1 45.7 -81.6 -41.0 -9.3 -18.0 19.6 47 154 A L G >4 S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 -1,-0.1 0.865 103.5 62.4 -70.0 -38.6 -8.3 -15.5 22.2 48 155 A A G 3< S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.724 101.0 54.8 -63.3 -22.4 -11.0 -16.5 24.8 49 156 A K G < S+ 0 0 159 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.578 86.7 106.2 -83.4 -12.1 -9.5 -20.0 25.0 50 157 A L < - 0 0 46 -3,-1.6 2,-0.6 -4,-0.3 15,-0.0 -0.311 69.5-127.9 -75.3 153.8 -5.9 -18.9 25.9 51 158 A K - 0 0 180 13,-0.1 13,-0.2 -2,-0.0 2,-0.2 -0.899 29.7-145.1 -99.4 120.2 -4.4 -19.1 29.3 52 159 A F - 0 0 44 -2,-0.6 2,-0.5 11,-0.1 11,-0.2 -0.581 4.4-136.7 -90.0 143.4 -3.0 -15.7 30.4 53 160 A T E -F 62 0A 66 9,-3.5 9,-2.2 -2,-0.2 2,-0.3 -0.864 24.9-137.5 -94.3 131.9 0.1 -15.1 32.4 54 161 A K E -F 61 0A 125 -2,-0.5 7,-0.2 7,-0.2 2,-0.2 -0.711 23.4-180.0 -92.6 140.6 -0.5 -12.4 35.1 55 162 A S E > > +F 60 0A 32 5,-3.1 5,-2.2 -2,-0.3 3,-1.7 -0.694 6.5 176.4-133.9 80.7 2.1 -9.6 35.8 56 163 A S G > 5S+ 0 0 96 1,-0.3 3,-0.9 3,-0.2 -1,-0.1 0.749 72.2 66.2 -63.1 -23.3 0.4 -7.6 38.6 57 164 A S G 3 5S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.1 94,-0.1 0.744 112.5 34.1 -75.1 -18.1 3.3 -5.3 39.1 58 165 A Y G < 5S- 0 0 79 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.265 110.9-119.1-107.7 8.1 2.8 -3.8 35.6 59 166 A D T < 5S+ 0 0 26 -3,-0.9 -23,-1.7 -4,-0.3 2,-0.3 0.897 74.2 130.6 51.4 41.8 -1.0 -4.2 35.8 60 167 A M E < -EF 35 55A 11 -5,-2.2 -5,-3.1 -25,-0.3 2,-0.3 -0.900 40.4-176.7-122.7 148.9 -0.6 -6.5 32.7 61 168 A E E +EF 34 54A 32 -27,-2.6 -27,-2.4 -2,-0.3 2,-0.3 -0.985 17.7 171.8-138.6 151.5 -1.6 -10.0 31.6 62 169 A F E -EF 33 53A 65 -9,-2.2 -9,-3.5 -2,-0.3 2,-0.3 -0.972 17.9-168.1-150.5 159.1 -0.6 -11.7 28.4 63 170 A A E -E 32 0A 6 -31,-1.9 -31,-2.8 -2,-0.3 2,-0.2 -0.977 40.8 -91.0-144.7 158.0 -0.6 -14.9 26.3 64 171 A K E -E 31 0A 148 -2,-0.3 -33,-0.3 -13,-0.2 -13,-0.1 -0.474 51.2-111.5 -63.1 135.9 1.2 -16.0 23.2 65 172 A L - 0 0 6 -35,-2.8 2,-0.1 -2,-0.2 5,-0.1 -0.450 32.8-101.5 -65.5 144.9 -0.8 -15.2 20.1 66 173 A P > - 0 0 19 0, 0.0 3,-2.4 0, 0.0 4,-0.5 -0.455 39.6-112.1 -57.7 141.6 -2.4 -18.0 18.1 67 174 A T G > S+ 0 0 112 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.827 115.0 56.5 -49.5 -41.3 -0.1 -18.6 15.1 68 175 A E G 3 S+ 0 0 136 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.626 106.5 52.7 -70.4 -9.7 -2.7 -17.4 12.5 69 176 A M G < S+ 0 0 15 -3,-2.4 3,-0.4 1,-0.1 4,-0.3 0.463 84.7 89.0-102.5 -5.0 -2.9 -14.1 14.3 70 177 A K S X S+ 0 0 104 -3,-1.3 3,-1.4 -4,-0.5 -40,-0.3 0.910 82.6 50.6 -64.5 -46.0 0.8 -13.2 14.4 71 178 A S T 3 S+ 0 0 107 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.759 107.4 55.4 -71.7 -20.6 1.2 -11.4 11.2 72 179 A D T 3 S+ 0 0 59 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.2 0.475 85.2 112.3 -89.5 0.4 -1.7 -9.0 11.9 73 180 A A S < S- 0 0 17 -3,-1.4 -45,-0.3 -4,-0.3 -63,-0.1 -0.269 73.5 -98.9 -71.2 155.4 -0.4 -7.8 15.3 74 181 A F B -d 28 0A 18 -47,-3.0 -45,-2.3 -64,-0.2 2,-0.3 -0.371 31.5-128.7 -61.6 148.2 0.9 -4.2 16.0 75 182 A G - 0 0 21 45,-0.3 47,-2.8 -47,-0.2 2,-0.4 -0.771 21.4-139.2 -89.7 148.0 4.5 -3.5 16.0 76 183 A Y B -g 122 0B 32 -2,-0.3 2,-0.4 45,-0.2 47,-0.2 -0.853 13.1-162.8-104.4 147.6 6.0 -1.8 19.1 77 184 A T - 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