==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/PEPTIDE 10-NOV-10 2XXM . COMPND 2 MOLECULE: CAPSID PROTEIN P24; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR S.IGONET,M.-C.VANEY,V.BARTONOVA,J.HELMA,U.ROTHBAUER,H.LEONHA . 194 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 0 0.0 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 . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 146 A S 0 0 142 0, 0.0 3,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 70.4 -26.9 1.2 17.2 2 147 A P + 0 0 104 0, 0.0 2,-0.4 0, 0.0 24,-0.0 0.415 360.0 165.3 -82.8 132.4 -24.1 -0.1 17.4 3 148 A T - 0 0 57 23,-0.1 2,-0.2 -2,-0.0 26,-0.1 -0.925 37.5-119.7-114.7 140.3 -24.8 -2.6 14.6 4 149 A S > - 0 0 0 -2,-0.4 3,-1.6 1,-0.1 4,-0.2 -0.534 20.5-127.7 -72.4 142.8 -22.2 -4.7 12.7 5 150 A I G > S+ 0 0 0 1,-0.3 3,-1.3 -2,-0.2 -1,-0.1 0.785 108.7 69.0 -61.2 -25.3 -22.0 -3.9 9.0 6 151 A L G 3 S+ 0 0 1 1,-0.2 -1,-0.3 163,-0.0 98,-0.1 0.747 96.3 53.7 -63.8 -25.4 -22.4 -7.8 8.5 7 152 A D G < S+ 0 0 47 -3,-1.6 2,-0.8 163,-0.2 -1,-0.2 0.422 78.1 108.7 -92.7 -2.1 -26.0 -7.5 9.8 8 153 A I < + 0 0 7 -3,-1.3 2,-0.4 -4,-0.2 40,-0.1 -0.699 41.8 160.5 -83.7 109.3 -27.3 -4.8 7.4 9 154 A R - 0 0 190 -2,-0.8 40,-0.2 38,-0.0 2,-0.2 -0.987 43.4-107.2-130.1 138.3 -29.7 -6.5 5.0 10 155 A Q - 0 0 12 38,-2.4 6,-0.1 -2,-0.4 43,-0.0 -0.446 36.5-124.2 -66.3 131.0 -32.3 -4.9 2.8 11 156 A G - 0 0 20 -2,-0.2 3,-0.4 4,-0.1 39,-0.2 -0.257 23.1-109.4 -69.1 159.4 -35.9 -5.6 4.0 12 157 A P S S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 40,-0.1 0.834 121.1 27.1 -61.3 -32.0 -38.4 -7.2 1.6 13 158 A K S S+ 0 0 202 2,-0.1 -3,-0.0 37,-0.0 -2,-0.0 0.295 95.5 118.7-108.0 0.6 -40.4 -3.9 1.3 14 159 A E - 0 0 36 -3,-0.4 36,-0.2 1,-0.1 5,-0.0 -0.594 68.3-121.4 -75.2 123.3 -37.4 -1.6 2.0 15 160 A P >> - 0 0 55 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.360 20.5-122.7 -62.3 141.8 -36.6 0.8 -0.9 16 161 A F H 3> S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 111.8 58.0 -54.2 -40.2 -33.0 0.3 -2.1 17 162 A R H 3> S+ 0 0 166 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.847 107.2 48.3 -59.0 -34.8 -32.2 4.0 -1.4 18 163 A D H <> S+ 0 0 84 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.909 111.7 49.5 -70.5 -43.8 -33.1 3.5 2.3 19 164 A Y H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.906 109.9 50.1 -61.2 -47.8 -31.0 0.3 2.5 20 165 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.906 111.7 49.2 -59.2 -43.1 -27.9 2.0 1.0 21 166 A D H X S+ 0 0 50 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.913 112.7 47.0 -62.5 -43.5 -28.3 4.9 3.4 22 167 A R H X S+ 0 0 88 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 114.3 48.0 -62.3 -44.4 -28.6 2.5 6.4 23 168 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.931 113.1 48.2 -61.2 -49.2 -25.6 0.5 5.1 24 169 A Y H X S+ 0 0 14 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.920 113.2 46.3 -57.7 -50.9 -23.6 3.8 4.7 25 170 A K H X S+ 0 0 130 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.882 113.3 49.6 -61.2 -42.0 -24.4 5.1 8.2 26 171 A T H X S+ 0 0 22 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.913 113.2 46.1 -63.8 -43.7 -23.6 1.7 9.8 27 172 A L H < S+ 0 0 1 -4,-2.5 3,-0.2 2,-0.2 -2,-0.2 0.846 109.2 54.6 -69.7 -33.8 -20.3 1.5 8.0 28 173 A R H < S+ 0 0 131 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.900 109.1 49.9 -61.2 -42.5 -19.4 5.1 8.9 29 174 A A H < S+ 0 0 72 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.691 90.4 101.4 -69.6 -25.2 -20.1 4.2 12.6 30 175 A E S < S- 0 0 7 -4,-1.0 2,-1.1 -3,-0.2 87,-0.1 -0.393 76.7-129.6 -64.4 136.4 -17.8 1.1 12.3 31 176 A Q B +a 117 0A 102 85,-0.6 87,-2.2 -2,-0.1 2,-0.3 -0.806 64.4 114.6 -90.8 96.7 -14.3 1.5 13.8 32 177 A A - 0 0 24 -2,-1.1 87,-0.1 85,-0.2 100,-0.0 -0.976 68.0 -89.4-158.7 159.6 -12.2 0.3 10.9 33 178 A S > - 0 0 17 85,-0.3 4,-2.3 -2,-0.3 5,-0.2 -0.290 40.8-110.2 -69.5 161.7 -9.6 1.5 8.3 34 179 A Q H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 154,-0.3 0.857 120.7 57.2 -60.0 -36.8 -10.8 2.9 4.9 35 180 A E H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 108.4 44.6 -59.5 -48.4 -9.3 -0.3 3.3 36 181 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.926 113.9 50.2 -63.8 -45.3 -11.6 -2.5 5.5 37 182 A K H X S+ 0 0 22 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.879 110.6 49.9 -61.4 -39.2 -14.6 -0.3 4.8 38 183 A N H X S+ 0 0 21 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.942 112.1 47.3 -63.2 -47.8 -13.9 -0.4 1.0 39 184 A W H X S+ 0 0 16 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.888 111.9 51.5 -59.6 -43.3 -13.6 -4.3 1.2 40 185 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.4 0.890 111.7 45.7 -62.2 -43.3 -16.9 -4.4 3.3 41 186 A T H X S+ 0 0 2 -4,-2.2 4,-1.7 2,-0.2 5,-0.4 0.929 113.8 48.9 -66.2 -46.2 -18.8 -2.3 0.7 42 187 A E H < S+ 0 0 103 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.844 120.9 36.9 -60.3 -37.6 -17.5 -4.3 -2.3 43 188 A T H < S+ 0 0 10 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.842 128.4 26.5 -85.1 -39.0 -18.4 -7.6 -0.6 44 189 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -3,-0.2 0.756 96.9 77.0-101.1 -34.7 -21.7 -6.8 1.2 45 190 A L T < S+ 0 0 1 -4,-1.7 -3,-0.1 -5,-0.4 4,-0.1 0.918 111.6 24.4 -50.0 -55.9 -23.6 -3.9 -0.5 46 191 A V T >4 S+ 0 0 38 -5,-0.4 3,-1.4 -4,-0.2 -1,-0.2 0.909 122.2 57.1 -76.0 -41.9 -25.1 -5.9 -3.5 47 192 A Q T 34 S+ 0 0 73 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.812 109.4 45.1 -57.9 -37.4 -24.9 -9.3 -1.7 48 193 A N T 3< S+ 0 0 26 -4,-2.9 -38,-2.4 -40,-0.1 -1,-0.3 0.333 88.0 108.5 -93.7 7.6 -27.1 -8.1 1.2 49 194 A A S < S- 0 0 6 -3,-1.4 -3,-0.0 -40,-0.2 -33,-0.0 -0.371 87.1 -85.9 -73.5 160.5 -29.7 -6.4 -1.0 50 195 A N > - 0 0 15 -39,-0.2 4,-2.9 -36,-0.2 5,-0.2 -0.288 42.9-104.2 -66.9 157.0 -33.0 -8.2 -1.1 51 196 A P H > S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.869 120.7 52.0 -51.6 -39.8 -33.3 -11.0 -3.7 52 197 A D H > S+ 0 0 116 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.923 116.0 39.3 -61.1 -48.1 -35.5 -8.9 -6.1 53 198 A C H > S+ 0 0 11 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.861 111.4 59.1 -69.2 -38.0 -33.0 -6.0 -6.0 54 199 A K H X S+ 0 0 64 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.868 104.1 50.9 -59.5 -39.6 -30.0 -8.4 -6.1 55 200 A T H X S+ 0 0 102 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.918 113.9 45.1 -63.5 -43.9 -31.2 -9.8 -9.5 56 201 A I H X S+ 0 0 60 -4,-1.3 4,-0.6 2,-0.2 -2,-0.2 0.917 115.6 46.1 -65.5 -47.6 -31.6 -6.3 -10.9 57 202 A L H >< S+ 0 0 3 -4,-3.0 3,-0.9 1,-0.2 4,-0.4 0.883 111.0 50.6 -65.5 -43.5 -28.1 -5.1 -9.6 58 203 A K H >< S+ 0 0 130 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.826 103.0 61.6 -64.4 -32.4 -26.2 -8.2 -10.7 59 204 A A H 3< S+ 0 0 88 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.714 94.7 62.6 -65.3 -24.1 -27.7 -7.8 -14.3 60 205 A L T << S- 0 0 77 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.702 105.3-142.5 -72.3 -22.7 -25.9 -4.4 -14.5 61 206 A G X - 0 0 30 -3,-1.2 3,-0.9 -4,-0.4 -1,-0.1 -0.047 33.9 -34.4 82.5 175.4 -22.6 -6.2 -14.2 62 207 A P T 3 S+ 0 0 140 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 -0.319 119.9 32.2 -69.7 151.3 -19.4 -5.3 -12.4 63 208 A G T 3 S+ 0 0 82 1,-0.3 2,-0.1 -2,-0.0 -2,-0.1 0.523 75.2 154.6 82.9 9.1 -18.3 -1.6 -12.1 64 209 A A < - 0 0 10 -3,-0.9 -1,-0.3 -7,-0.1 2,-0.1 -0.463 41.4-124.8 -67.8 137.2 -21.8 -0.1 -12.0 65 210 A T > - 0 0 60 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.375 19.7-111.3 -77.8 165.1 -21.9 3.3 -10.2 66 211 A L H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 121.1 55.6 -63.5 -37.7 -24.2 4.0 -7.3 67 212 A E H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 108.6 46.9 -57.3 -46.5 -26.2 6.4 -9.6 68 213 A E H 4 S+ 0 0 100 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.866 111.7 51.3 -64.7 -38.4 -26.7 3.5 -12.1 69 214 A M H >X S+ 0 0 12 -4,-2.1 4,-1.5 1,-0.2 3,-0.7 0.889 110.1 49.3 -65.0 -41.3 -27.8 1.2 -9.2 70 215 A M H 3< S+ 0 0 31 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.827 111.4 49.0 -66.5 -37.0 -30.3 3.8 -8.0 71 216 A T T 3< S+ 0 0 124 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.466 109.0 54.0 -83.0 -5.9 -31.8 4.2 -11.5 72 217 A A T <4 0 0 36 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.801 360.0 360.0 -92.7 -38.6 -32.1 0.4 -12.0 73 218 A C < 0 0 64 -4,-1.5 -20,-0.0 -5,-0.1 -3,-0.0 -0.120 360.0 360.0 -89.6 360.0 -34.1 -0.2 -8.8 74 !* 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 75 4 B L 0 0 95 0, 0.0 2,-0.5 0, 0.0 20,-0.2 0.000 360.0 360.0 360.0 120.8 -21.0 -20.6 19.5 76 5 B V E -G 94 0B 92 18,-2.8 18,-2.7 99,-0.1 2,-0.5 -0.964 360.0-172.2-125.9 112.5 -17.7 -21.3 21.3 77 6 B E E +G 93 0B 24 -2,-0.5 2,-0.2 16,-0.2 16,-0.2 -0.920 25.3 138.0-106.1 123.9 -14.8 -18.7 21.4 78 7 B S E +G 92 0B 58 14,-2.2 14,-2.6 -2,-0.5 100,-0.1 -0.832 22.9 89.8-149.7-176.7 -11.4 -19.7 22.8 79 8 B G + 0 0 32 1,-0.3 11,-0.5 12,-0.3 -1,-0.1 0.262 63.3 125.4 101.3 -8.6 -7.6 -19.6 22.4 80 9 B G + 0 0 28 12,-0.1 -1,-0.3 9,-0.1 2,-0.3 -0.256 26.4 117.8 -76.6 167.2 -7.1 -16.4 24.4 81 10 B G E -b 180 0A 28 98,-0.6 100,-2.3 -3,-0.1 2,-0.4 -0.970 59.7 -44.5 162.6-173.4 -4.8 -15.9 27.4 82 11 B L E +b 181 0A 138 -2,-0.3 2,-0.3 98,-0.2 100,-0.2 -0.758 56.1 160.5 -90.4 127.5 -1.8 -14.3 29.0 83 12 B V E -b 182 0A 29 98,-2.2 100,-2.3 -2,-0.4 2,-0.2 -0.957 36.6-111.8-142.6 157.8 1.4 -13.9 26.9 84 13 B Q E > -b 183 0A 147 -2,-0.3 3,-2.2 98,-0.2 73,-0.2 -0.533 54.8 -74.8 -87.5 158.1 4.6 -11.7 26.9 85 14 B A T 3 S+ 0 0 51 98,-1.0 73,-0.2 1,-0.3 -1,-0.1 -0.314 125.3 27.8 -55.8 126.1 5.3 -9.1 24.2 86 15 B G T 3 S+ 0 0 45 71,-3.5 70,-0.6 1,-0.3 -1,-0.3 0.307 98.5 129.2 98.2 -2.7 6.3 -10.9 20.9 87 16 B G < - 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0 0 10 -3,-1.5 22,-0.1 -4,-0.3 69,-0.0 -0.479 66.3-149.4 -69.3 134.7 -22.5 -16.4 6.0 103 32 B N S S+ 0 0 44 -2,-0.2 21,-2.2 20,-0.1 2,-0.4 0.905 83.0 47.6 -70.0 -40.4 -20.3 -15.3 3.2 104 33 B V E +C 123 0A 0 19,-0.2 66,-0.7 -98,-0.1 2,-0.3 -0.841 63.4 177.9-106.3 137.9 -18.4 -12.8 5.4 105 34 B M E -CD 122 169A 0 17,-2.3 17,-2.3 -2,-0.4 2,-0.3 -0.963 9.1-175.1-133.4 148.6 -17.0 -13.5 8.8 106 35 B A E -CD 121 168A 0 62,-2.8 62,-2.6 -2,-0.3 2,-0.4 -0.977 24.1-133.0-144.8 158.0 -15.0 -11.1 10.9 107 36 B W E -CD 120 167A 0 13,-2.5 12,-1.8 -2,-0.3 13,-1.4 -0.956 23.1-161.2-111.3 132.4 -13.0 -10.7 14.1 108 37 B Y E -CD 118 166A 0 58,-3.3 58,-2.6 -2,-0.4 2,-0.4 -0.875 4.8-150.9-111.4 146.7 -13.7 -7.7 16.3 109 38 B R E -CD 117 165A 20 8,-2.5 8,-2.9 -2,-0.3 2,-0.4 -0.968 12.7-176.1-117.5 129.5 -11.4 -6.3 19.0 110 39 B Q E - D 0 164A 59 54,-2.7 54,-2.6 -2,-0.4 6,-0.2 -0.921 2.6-171.2-136.1 109.4 -12.8 -4.5 22.1 111 40 B A > - 0 0 12 -2,-0.4 3,-2.2 4,-0.4 52,-0.1 -0.662 46.0 -76.3 -91.7 149.6 -10.5 -2.9 24.7 112 41 B P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.193 117.0 5.5 -52.8 132.7 -12.0 -1.5 28.1 113 42 B G T 3 S+ 0 0 89 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.476 112.2 105.2 72.7 7.2 -13.8 1.8 27.6 114 43 B K S < S- 0 0 117 -3,-2.2 -1,-0.2 1,-0.0 3,-0.1 -0.864 75.2-106.0-119.7 152.9 -13.3 1.7 23.8 115 44 B A - 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