==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 24-FEB-10 2X78 . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN SPUMARETROVIRUS; . AUTHOR S.RETY,O.DELELIS,L.REZABKOVA,B.DUBANCHET,P.LEGRAND,J.SILHAN, . 530 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 3 0.6 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 . 13 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 2 1 2 0 0 1 3 3 0 2 0 3 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 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 . 4 0 0 0 0 6 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 3 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 1 119 A Q 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.3 43.0 41.2 98.3 2 120 A K > - 0 0 90 1,-0.1 3,-1.4 323,-0.1 4,-0.3 -0.774 360.0 -87.9-112.2 156.9 42.0 37.6 97.4 3 121 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 142,-0.0 -0.297 112.4 29.7 -58.4 150.5 43.2 34.2 98.8 4 122 A F T 3 S+ 0 0 1 2,-0.2 58,-0.9 57,-0.1 59,-0.3 0.443 84.8 113.9 75.5 3.3 46.4 32.8 97.2 5 123 A D S < S+ 0 0 35 -3,-1.4 58,-2.3 1,-0.3 2,-0.4 0.937 86.2 13.3 -64.5 -48.1 47.8 36.3 96.4 6 124 A K E -a 63 0A 50 -4,-0.3 24,-3.5 56,-0.2 2,-0.3 -0.986 66.9-166.2-139.8 119.9 50.7 36.0 98.8 7 125 A F E -aB 64 29A 0 56,-2.6 58,-3.4 -2,-0.4 2,-0.5 -0.827 9.8-151.5 -99.3 146.3 52.1 32.9 100.6 8 126 A F E -aB 65 28A 3 20,-2.1 20,-2.5 -2,-0.3 2,-0.3 -0.990 21.4-172.0-114.6 117.0 54.5 33.1 103.5 9 127 A I E + B 0 27A 6 56,-2.5 58,-0.4 -2,-0.5 2,-0.3 -0.876 15.6 142.6-114.4 148.3 56.7 30.0 103.6 10 128 A D E - B 0 26A 47 16,-1.5 16,-3.2 -2,-0.3 2,-0.4 -0.965 39.1-111.2-166.3 166.3 59.2 28.8 106.2 11 129 A Y E - B 0 25A 21 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.918 15.4-159.1-110.6 138.4 60.5 25.7 107.9 12 130 A I E - B 0 24A 4 12,-2.4 12,-2.2 -2,-0.4 3,-0.2 -0.919 44.6 -27.9-105.6 141.4 60.1 24.6 111.5 13 131 A G - 0 0 37 -2,-0.4 2,-0.2 1,-0.3 10,-0.2 -0.649 29.7-120.7 125.7 179.2 62.7 22.1 112.8 14 132 A P + 0 0 83 0, 0.0 -1,-0.3 0, 0.0 9,-0.2 0.428 59.8 174.6 -72.5 151.4 64.6 20.0 113.2 15 133 A L - 0 0 12 7,-1.9 3,-0.1 -3,-0.2 97,-0.1 -0.770 49.7 -65.4-119.8 161.7 62.3 18.2 115.6 16 134 A P S S- 0 0 62 0, 0.0 102,-0.1 0, 0.0 5,-0.1 -0.349 73.0 -98.4 -53.0 126.2 62.9 14.8 117.2 17 135 A P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.108 40.4-172.2 -56.8 140.6 62.8 12.4 114.2 18 136 A S B > S-E 21 0B 9 3,-2.3 3,-2.9 -3,-0.1 -3,-0.0 -0.966 72.9 -29.6-137.5 117.3 59.5 10.5 113.5 19 137 A Q T 3 S- 0 0 122 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.835 128.8 -46.3 33.7 47.4 59.5 7.8 110.8 20 138 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 21,-0.0 2,-0.2 0.107 112.5 123.3 94.7 -18.7 62.3 9.8 109.1 21 139 A Y B < +E 18 0B 23 -3,-2.9 -3,-2.3 1,-0.1 -1,-0.3 -0.542 18.7 154.0 -84.7 143.1 60.6 13.2 109.4 22 140 A L + 0 0 54 18,-2.1 -7,-1.9 -2,-0.2 2,-0.3 0.443 57.3 52.0-138.7 -18.6 62.4 16.1 111.1 23 141 A Y E - C 0 40A 43 17,-2.3 17,-2.4 -9,-0.2 2,-0.4 -0.848 55.6-150.5-129.6 159.2 60.9 19.3 109.6 24 142 A V E -BC 12 39A 0 -12,-2.2 -12,-2.4 -2,-0.3 2,-0.5 -0.980 14.5-144.9-129.5 121.1 57.5 20.9 108.8 25 143 A L E -BC 11 38A 0 13,-3.0 13,-1.9 -2,-0.4 2,-0.5 -0.743 18.8-154.9 -79.9 130.0 57.1 23.3 105.9 26 144 A V E -BC 10 37A 5 -16,-3.2 -16,-1.5 -2,-0.5 2,-0.5 -0.928 12.0-174.5-110.7 123.4 54.7 26.1 106.9 27 145 A V E -BC 9 36A 0 9,-2.3 9,-2.5 -2,-0.5 2,-0.5 -0.984 4.4-172.0-120.3 121.5 52.7 27.9 104.2 28 146 A V E -BC 8 35A 2 -20,-2.5 -20,-2.1 -2,-0.5 2,-0.4 -0.957 20.6-133.4-119.0 124.4 50.5 30.8 105.4 29 147 A D E > -B 7 0A 1 5,-2.6 4,-2.1 -2,-0.5 -22,-0.2 -0.631 15.5-140.4 -76.6 128.3 48.0 32.5 103.0 30 148 A G T 4 S+ 0 0 2 -24,-3.5 -1,-0.1 -2,-0.4 -23,-0.1 0.835 94.4 35.3 -60.6 -38.6 48.4 36.3 103.4 31 149 A M T 4 S+ 0 0 45 -25,-0.2 -1,-0.2 -29,-0.2 -24,-0.1 0.872 127.8 30.1 -89.6 -38.5 44.8 37.2 103.2 32 150 A T T 4 S- 0 0 0 2,-0.1 112,-0.2 -30,-0.1 -2,-0.2 0.793 89.6-132.2 -92.4 -29.2 43.0 34.4 105.0 33 151 A G < + 0 0 2 -4,-2.1 2,-0.1 1,-0.3 -3,-0.1 0.566 50.2 158.4 82.7 10.1 45.7 33.3 107.5 34 152 A F - 0 0 1 107,-0.2 -5,-2.6 -5,-0.1 2,-0.4 -0.473 27.6-151.2 -70.4 138.4 45.0 29.7 106.4 35 153 A T E -C 28 0A 0 -7,-0.2 2,-0.4 91,-0.2 -7,-0.2 -0.947 11.2-164.9-118.7 132.3 48.0 27.5 107.2 36 154 A W E -C 27 0A 20 -9,-2.5 -9,-2.3 -2,-0.4 2,-0.4 -0.959 9.9-158.9-112.6 137.0 49.1 24.3 105.4 37 155 A L E -C 26 0A 4 -2,-0.4 -11,-0.2 -11,-0.2 195,-0.1 -0.957 10.5-179.1-120.4 131.9 51.6 22.0 107.0 38 156 A Y E -C 25 0A 12 -13,-1.9 -13,-3.0 -2,-0.4 2,-0.2 -0.990 22.1-136.5-129.0 122.4 53.8 19.4 105.2 39 157 A P E +C 24 0A 34 0, 0.0 2,-0.3 0, 0.0 -15,-0.3 -0.544 30.4 179.0 -72.2 143.5 56.2 17.1 107.0 40 158 A T E -C 23 0A 7 -17,-2.4 -17,-2.3 -2,-0.2 -18,-2.1 -0.916 38.2-133.7-138.8 168.2 59.6 16.8 105.3 41 159 A K S S+ 0 0 111 -2,-0.3 -17,-0.1 1,-0.2 -1,-0.0 0.584 93.8 11.7 -95.7 -11.2 62.9 15.0 105.9 42 160 A A S S- 0 0 36 2,-0.1 2,-1.4 -19,-0.1 -1,-0.2 -0.969 76.6-112.0-158.8 152.9 65.0 18.1 105.2 43 161 A P S S+ 0 0 50 0, 0.0 28,-0.4 0, 0.0 2,-0.2 -0.432 70.9 150.6 -86.6 60.4 64.4 21.8 104.8 44 162 A S > - 0 0 44 -2,-1.4 4,-1.9 1,-0.1 5,-0.1 -0.485 64.6-122.5 -96.2 157.6 65.3 21.3 101.1 45 163 A T H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.884 115.0 57.5 -55.2 -40.8 64.4 23.0 97.8 46 164 A S H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 107.5 42.8 -61.0 -50.3 63.2 19.6 96.7 47 165 A A H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 114.3 53.1 -63.8 -39.5 60.7 19.0 99.6 48 166 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.903 109.8 47.0 -62.4 -45.3 59.5 22.6 99.2 49 167 A V H X S+ 0 0 22 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.879 111.1 51.9 -64.7 -41.9 58.9 22.1 95.5 50 168 A K H X S+ 0 0 68 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.927 114.8 42.3 -59.7 -45.4 57.0 18.8 96.0 51 169 A S H X S+ 0 0 14 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.900 114.9 49.4 -68.7 -43.5 54.8 20.4 98.7 52 170 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.819 104.5 58.7 -70.5 -26.7 54.2 23.6 96.7 53 171 A N H < S+ 0 0 13 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.886 107.1 49.0 -64.8 -39.6 53.3 21.6 93.5 54 172 A V H >< S+ 0 0 30 -4,-1.2 3,-1.0 2,-0.2 4,-0.3 0.963 115.1 43.1 -61.6 -52.6 50.5 20.0 95.5 55 173 A L H >X S+ 0 0 4 -4,-2.0 3,-1.9 1,-0.2 4,-0.8 0.890 110.8 54.2 -63.5 -43.3 49.2 23.3 96.8 56 174 A T T 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.514 88.8 77.5 -74.9 -3.3 49.5 25.1 93.5 57 175 A S T <4 S+ 0 0 4 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.682 98.1 48.2 -67.7 -19.3 47.4 22.4 91.9 58 176 A I T <4 S- 0 0 19 -3,-1.9 2,-0.3 1,-0.4 -2,-0.2 0.867 136.1 -30.3 -83.5 -48.0 44.6 24.4 93.6 59 177 A A < - 0 0 0 -4,-0.8 -1,-0.4 266,-0.0 274,-0.1 -0.918 62.0-109.8-169.7 150.7 45.6 27.9 92.4 60 178 A I - 0 0 4 272,-0.4 267,-0.3 -2,-0.3 2,-0.1 -0.799 34.7-134.4 -93.9 119.2 48.9 29.6 91.4 61 179 A P - 0 0 0 0, 0.0 -56,-0.2 0, 0.0 3,-0.1 -0.388 1.2-142.3 -73.5 148.1 49.9 32.3 94.0 62 180 A R S S+ 0 0 53 -58,-0.9 25,-2.7 -57,-0.3 2,-0.4 0.909 84.4 23.6 -73.2 -39.9 51.1 35.7 92.7 63 181 A V E -ad 6 87A 30 -58,-2.3 -56,-2.6 -59,-0.3 2,-0.5 -0.983 58.3-163.4-133.6 132.4 53.8 36.1 95.4 64 182 A I E -ad 7 88A 1 23,-2.3 25,-2.4 -2,-0.4 2,-0.5 -0.978 16.2-161.8-113.3 122.9 55.8 33.7 97.6 65 183 A H E +ad 8 89A 14 -58,-3.4 -56,-2.5 -2,-0.5 2,-0.3 -0.900 22.4 146.3-109.7 127.0 57.5 35.4 100.6 66 184 A S E - d 0 90A 3 23,-1.8 25,-2.3 -2,-0.5 -56,-0.1 -0.826 40.8-107.5-144.7 175.3 60.3 33.7 102.5 67 185 A D - 0 0 62 -58,-0.4 -1,-0.1 -2,-0.3 25,-0.0 0.024 54.6 -78.9 -89.6-158.7 63.5 34.4 104.4 68 186 A Q S S+ 0 0 115 22,-0.1 5,-0.2 4,-0.1 22,-0.0 0.278 74.7 145.9 -93.3 8.9 67.0 33.6 103.3 69 187 A G >> - 0 0 25 1,-0.1 4,-1.6 3,-0.1 3,-1.1 -0.053 62.8-112.0 -46.0 149.1 66.9 29.9 104.1 70 188 A A H 3> S+ 0 0 85 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.854 115.2 59.2 -52.8 -41.0 68.9 27.6 101.8 71 189 A A H 34 S+ 0 0 4 -28,-0.4 -1,-0.3 1,-0.2 6,-0.2 0.841 113.0 37.2 -55.3 -37.1 65.6 26.0 100.4 72 190 A F H <4 S+ 0 0 4 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.667 111.7 53.3 -98.1 -22.9 64.3 29.4 99.2 73 191 A T H < S+ 0 0 69 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 0.421 84.2 114.0 -94.4 0.2 67.5 31.2 97.8 74 192 A S S X S- 0 0 29 -4,-0.7 4,-1.4 -5,-0.2 5,-0.1 -0.232 72.9-126.4 -70.9 160.4 68.5 28.3 95.5 75 193 A S H > S+ 0 0 82 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.834 110.3 60.1 -76.5 -33.5 68.6 28.6 91.7 76 194 A T H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 107.7 45.2 -55.2 -44.3 66.4 25.4 91.5 77 195 A F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.828 111.5 53.0 -72.1 -34.1 63.7 27.2 93.5 78 196 A A H X S+ 0 0 47 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.913 111.4 46.2 -61.0 -47.8 64.1 30.3 91.3 79 197 A E H X S+ 0 0 123 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.892 112.6 50.3 -61.8 -44.6 63.7 28.2 88.2 80 198 A W H X S+ 0 0 31 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.935 114.3 44.5 -60.4 -48.7 60.6 26.5 89.7 81 199 A A H >X>S+ 0 0 1 -4,-2.4 5,-2.3 2,-0.2 4,-1.4 0.908 112.0 50.3 -63.6 -46.3 59.0 29.8 90.6 82 200 A K H 3<5S+ 0 0 173 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.917 109.7 52.1 -62.2 -42.6 59.8 31.6 87.3 83 201 A E H 3<5S+ 0 0 94 -4,-2.2 253,-0.3 1,-0.2 -1,-0.2 0.730 111.7 46.2 -59.5 -28.9 58.3 28.7 85.3 84 202 A R H <<5S- 0 0 8 -4,-1.0 -1,-0.2 -3,-0.6 251,-0.2 0.636 116.0-114.3 -91.6 -18.0 55.0 28.8 87.4 85 203 A G T <5 + 0 0 36 -4,-1.4 2,-0.4 -3,-0.4 -3,-0.2 0.638 67.0 143.5 94.3 20.5 54.8 32.5 87.1 86 204 A I < - 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