==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 29-JUN-12 4FW1 . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS; . AUTHOR K.SHI,H.AIHARA . 426 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 29 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 2 0 0 0 2 0 0 0 1 2 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 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 PARALLEL BRIDGES PER LADDER . 0 0 2 2 3 3 2 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 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 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 52 A P 0 0 88 0, 0.0 2,-0.4 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0 -83.0 -0.4 8.4 6.6 2 53 A R - 0 0 85 95,-0.0 2,-0.1 29,-0.0 8,-0.1 -0.990 360.0-125.1-134.3 142.5 -2.0 6.5 3.7 3 54 A G - 0 0 2 6,-0.4 4,-0.1 -2,-0.4 28,-0.0 -0.474 7.7-142.9 -77.8 153.6 -5.4 6.8 2.0 4 55 A L S S+ 0 0 49 -2,-0.1 156,-0.1 1,-0.1 -1,-0.1 0.707 90.8 15.6 -82.8 -26.4 -7.7 3.8 1.7 5 56 A G S > S- 0 0 6 154,-0.1 3,-0.8 1,-0.1 4,-0.4 -0.910 101.8 -73.6-138.2 168.3 -8.8 5.1 -1.8 6 57 A P T 3 S+ 0 0 27 0, 0.0 -2,-0.1 0, 0.0 4,-0.1 -0.173 109.5 28.3 -63.5 158.5 -7.4 7.7 -4.2 7 58 A L T 3 S+ 0 0 40 2,-0.1 58,-1.3 55,-0.1 3,-0.1 0.676 95.6 97.0 63.6 24.4 -7.6 11.4 -3.7 8 59 A Q S < S+ 0 0 79 -3,-0.8 58,-1.0 1,-0.3 2,-0.4 0.849 91.0 8.2 -96.6 -58.6 -7.6 11.0 0.1 9 60 A I E -a 66 0A 32 -4,-0.4 23,-2.2 56,-0.2 -6,-0.4 -0.982 63.1-177.8-133.2 123.6 -4.0 11.6 1.1 10 61 A W E -aB 67 31A 0 56,-2.5 58,-2.9 -2,-0.4 2,-0.4 -0.788 13.8-148.7-109.2 159.5 -1.1 12.8 -1.0 11 62 A Q E -aB 68 30A 15 19,-2.2 19,-2.3 -2,-0.3 2,-0.4 -0.988 16.7-171.6-125.1 140.1 2.6 13.2 -0.1 12 63 A T E + B 0 29A 3 56,-2.2 58,-0.4 -2,-0.4 2,-0.3 -0.987 10.9 160.0-134.3 142.5 4.7 15.9 -1.7 13 64 A D E - B 0 28A 38 15,-2.2 15,-2.9 -2,-0.4 2,-0.4 -0.977 32.7-122.5-150.6 159.8 8.4 16.7 -1.5 14 65 A F E - B 0 27A 21 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.862 30.1-178.0 -99.3 146.1 11.1 18.6 -3.5 15 66 A T E - B 0 26A 18 11,-2.3 11,-3.1 -2,-0.4 2,-0.5 -0.976 25.2-120.5-142.7 151.6 14.2 16.8 -4.8 16 67 A L E - B 0 25A 61 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.827 22.3-175.0 -98.1 131.0 17.2 17.9 -6.6 17 68 A E > - 0 0 10 7,-3.2 3,-2.3 -2,-0.5 -2,-0.0 -0.881 8.2-167.7-126.6 97.3 18.0 16.3 -10.0 18 69 A P G > S+ 0 0 66 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.733 85.7 67.2 -60.5 -21.9 21.3 17.6 -11.4 19 70 A R G 3 S+ 0 0 52 1,-0.3 103,-3.1 102,-0.2 101,-0.1 0.740 99.7 52.5 -68.4 -21.0 20.5 16.1 -14.8 20 71 A M G X S+ 0 0 0 -3,-2.3 3,-0.6 101,-0.2 -1,-0.3 0.127 96.8 175.4 -99.6 13.6 17.8 18.7 -15.1 21 72 A A T < + 0 0 24 -3,-1.5 101,-0.1 1,-0.3 22,-0.0 -0.309 52.1 31.0 -61.6 151.5 20.1 21.7 -14.3 22 73 A P T 3 S+ 0 0 94 0, 0.0 2,-1.5 0, 0.0 -1,-0.3 -0.980 134.8 35.5 -77.7 -19.0 19.9 24.6 -14.2 23 74 A R S < S+ 0 0 107 -3,-0.6 19,-0.2 1,-0.2 -2,-0.1 -0.500 78.6 151.5 -91.8 69.6 16.2 24.2 -13.1 24 75 A S + 0 0 17 -2,-1.5 -7,-3.2 19,-0.2 2,-0.6 0.268 28.6 107.8 -92.3 10.0 17.1 21.1 -11.2 25 76 A W E -BC 16 42A 87 17,-1.6 17,-2.7 -9,-0.2 2,-0.5 -0.795 48.6-168.7 -89.0 120.3 14.3 21.2 -8.5 26 77 A L E -BC 15 41A 0 -11,-3.1 -11,-2.3 -2,-0.6 2,-0.5 -0.943 11.3-152.0-108.5 127.6 11.6 18.6 -9.1 27 78 A A E -BC 14 40A 0 13,-2.7 13,-2.0 -2,-0.5 2,-0.4 -0.886 21.2-169.1 -93.8 127.2 8.4 18.9 -7.1 28 79 A V E -BC 13 39A 0 -15,-2.9 -15,-2.2 -2,-0.5 2,-0.4 -0.982 11.9-176.4-125.5 128.2 7.0 15.3 -6.7 29 80 A T E -BC 12 38A 0 9,-2.7 9,-2.2 -2,-0.4 2,-0.4 -0.960 3.7-169.2-120.3 139.4 3.6 14.3 -5.5 30 81 A V E -BC 11 37A 3 -19,-2.3 -19,-2.2 -2,-0.4 2,-0.7 -0.990 23.8-131.2-123.2 135.2 2.4 10.7 -5.0 31 82 A D E > -B 10 0A 0 5,-2.5 4,-2.6 -2,-0.4 -21,-0.2 -0.818 20.9-145.3 -79.3 119.6 -1.1 9.6 -4.3 32 83 A T T 4 S+ 0 0 0 -23,-2.2 -1,-0.1 -2,-0.7 -22,-0.1 0.634 92.6 43.8 -68.7 -13.6 -0.6 7.3 -1.3 33 84 A A T 4 S+ 0 0 26 -24,-0.3 -1,-0.2 -28,-0.1 -23,-0.1 0.859 125.8 25.6 -94.3 -45.1 -3.4 5.0 -2.4 34 85 A S T 4 S- 0 0 1 2,-0.1 119,-0.2 -29,-0.1 120,-0.2 0.684 91.5-134.0 -94.2 -17.7 -2.9 4.6 -6.1 35 86 A S < + 0 0 18 -4,-2.6 -3,-0.1 1,-0.3 116,-0.1 0.464 50.8 153.2 70.1 6.3 0.9 5.3 -6.2 36 87 A A - 0 0 0 114,-0.3 -5,-2.5 -5,-0.2 2,-0.3 -0.418 30.5-150.2 -65.2 144.0 0.3 7.6 -9.2 37 88 A I E -C 30 0A 2 -7,-0.2 2,-0.4 98,-0.2 -7,-0.2 -0.895 16.2-168.9-122.0 141.7 3.0 10.3 -9.4 38 89 A V E -C 29 0A 1 -9,-2.2 -9,-2.7 -2,-0.3 2,-0.4 -0.998 12.7-176.5-127.2 132.9 3.0 13.9 -10.7 39 90 A V E -C 28 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.989 6.1-177.6-131.1 139.9 6.3 15.8 -11.2 40 91 A T E -C 27 0A 16 -13,-2.0 -13,-2.7 -2,-0.4 2,-0.4 -0.954 22.9-125.1-132.4 157.8 7.0 19.4 -12.3 41 92 A Q E +C 26 0A 23 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.838 29.1 177.7-110.2 139.9 10.3 21.2 -12.8 42 93 A H E -C 25 0A 10 -17,-2.7 -17,-1.6 -2,-0.4 3,-0.1 -0.967 35.8-137.5-142.3 150.8 11.3 24.5 -11.1 43 94 A G S S+ 0 0 41 -2,-0.3 2,-0.3 1,-0.1 -19,-0.2 0.723 90.9 12.2 -77.6 -21.7 14.2 26.9 -10.8 44 95 A R S S- 0 0 183 -19,-0.1 2,-0.9 -21,-0.1 -1,-0.1 -0.977 78.5-106.2-151.7 156.4 13.8 27.5 -7.1 45 96 A V + 0 0 61 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.802 63.3 143.4 -89.2 103.9 12.0 26.0 -4.1 46 97 A T > - 0 0 31 -2,-0.9 4,-2.1 1,-0.1 5,-0.2 -0.930 65.3-110.1-138.1 164.9 9.3 28.5 -3.4 47 98 A S H > S+ 0 0 20 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.906 120.2 52.8 -58.4 -44.4 5.7 28.8 -2.2 48 99 A V H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 107.3 52.8 -59.2 -38.2 4.7 29.9 -5.8 49 100 A A H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.927 108.6 48.1 -65.2 -45.3 6.5 26.8 -7.2 50 101 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.878 109.7 53.6 -68.7 -30.8 4.6 24.4 -4.9 51 102 A Q H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.930 110.3 46.1 -66.3 -45.3 1.3 26.0 -5.8 52 103 A H H X S+ 0 0 53 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 112.9 52.3 -58.0 -46.6 1.9 25.6 -9.5 53 104 A H H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.943 110.8 44.9 -55.3 -53.4 3.0 22.0 -8.8 54 105 A W H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.881 110.9 54.0 -64.2 -35.2 -0.2 21.1 -6.9 55 106 A A H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.905 110.6 47.7 -65.4 -38.6 -2.4 22.8 -9.4 56 107 A T H X S+ 0 0 33 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.937 111.7 49.4 -62.9 -47.9 -0.8 20.7 -12.1 57 108 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.4 0.890 110.4 51.1 -59.6 -42.0 -1.2 17.5 -10.0 58 109 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.886 106.9 53.7 -62.9 -40.5 -4.9 18.3 -9.4 59 110 A A H < S+ 0 0 9 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.872 118.2 36.9 -60.7 -37.1 -5.4 18.8 -13.2 60 111 A V H < S+ 0 0 17 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.943 134.1 18.9 -79.0 -49.0 -4.0 15.4 -13.8 61 112 A L H < S- 0 0 0 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.643 104.2-110.1-103.2 -19.6 -5.3 13.4 -10.8 62 113 A G < - 0 0 2 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.1 -0.438 53.2 -47.5 102.1 174.8 -8.2 15.3 -9.4 63 114 A R - 0 0 87 -2,-0.2 2,-0.2 -4,-0.1 -8,-0.0 -0.693 53.9-144.2 -91.4 127.5 -8.4 17.1 -6.0 64 115 A P - 0 0 0 0, 0.0 -56,-0.2 0, 0.0 3,-0.1 -0.499 12.9-135.2 -85.0 159.4 -7.1 15.4 -2.9 65 116 A K S S+ 0 0 125 -58,-1.3 25,-2.5 1,-0.2 2,-0.3 0.775 86.1 5.5 -78.8 -28.6 -8.7 15.7 0.6 66 117 A A E -ad 9 90A 23 -58,-1.0 -56,-2.5 23,-0.2 2,-0.4 -0.998 57.7-154.6-158.7 152.3 -5.2 16.2 2.2 67 118 A I E -ad 10 91A 2 23,-2.4 25,-1.8 -2,-0.3 2,-0.4 -0.997 9.8-153.6-133.2 132.7 -1.5 16.5 1.6 68 119 A K E +ad 11 92A 42 -58,-2.9 -56,-2.2 -2,-0.4 2,-0.2 -0.894 25.5 154.7-107.3 136.4 1.4 15.6 3.8 69 120 A T E - d 0 93A 7 23,-2.3 25,-0.8 -2,-0.4 -56,-0.1 -0.808 41.5 -91.9-139.1 179.8 4.8 17.4 3.5 70 121 A D - 0 0 73 -58,-0.4 -1,-0.1 23,-0.3 5,-0.1 -0.225 51.8 -88.0 -83.6-169.5 7.8 18.2 5.7 71 122 A N S S+ 0 0 122 22,-0.1 5,-0.1 -2,-0.1 22,-0.1 0.336 75.6 139.1 -81.9 -0.4 8.3 21.4 7.7 72 123 A G >> - 0 0 30 1,-0.1 3,-1.4 3,-0.1 4,-1.3 -0.095 62.8-118.7 -55.3 149.2 9.9 23.4 4.8 73 124 A D H 3> S+ 0 0 120 1,-0.3 4,-1.4 2,-0.2 7,-0.2 0.775 109.6 63.9 -60.9 -32.4 8.9 27.0 4.3 74 125 A A H 34 S+ 0 0 9 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.818 111.6 38.9 -60.9 -28.8 7.5 26.5 0.8 75 126 A F H <4 S+ 0 0 6 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.749 122.9 37.8 -91.3 -27.7 4.9 24.2 2.4 76 127 A T H < S+ 0 0 31 -4,-1.3 -2,-0.2 -5,-0.1 -3,-0.2 0.337 83.7 120.0-113.6 5.2 4.1 26.1 5.6 77 128 A S S X S- 0 0 17 -4,-1.4 4,-2.6 -5,-0.2 5,-0.2 -0.185 76.6-109.1 -63.3 163.3 4.2 29.8 4.5 78 129 A K H > S+ 0 0 155 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.903 119.7 54.7 -58.4 -42.8 1.2 32.1 4.9 79 130 A S H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 112.3 40.8 -57.4 -50.5 0.9 32.1 1.1 80 131 A T H > S+ 0 0 0 -7,-0.2 4,-2.9 2,-0.2 5,-0.3 0.885 112.5 54.8 -70.2 -37.2 0.7 28.3 0.8 81 132 A R H X S+ 0 0 135 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.920 111.3 44.9 -61.8 -42.4 -1.5 27.9 3.9 82 133 A E H X S+ 0 0 100 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.863 111.8 54.0 -68.5 -35.0 -4.0 30.3 2.3 83 134 A W H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.959 110.7 44.4 -63.1 -50.7 -3.7 28.6 -1.0 84 135 A L H X>S+ 0 0 4 -4,-2.9 5,-2.5 1,-0.2 4,-0.7 0.899 112.9 52.8 -59.8 -39.8 -4.5 25.2 0.5 85 136 A A H ><5S+ 0 0 75 -4,-2.1 3,-0.7 -5,-0.3 -1,-0.2 0.902 106.6 52.6 -63.9 -39.2 -7.3 26.7 2.5 86 137 A R H 3<5S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 112.3 45.0 -62.5 -39.6 -8.8 28.2 -0.6 87 138 A W H 3<5S- 0 0 43 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.506 112.4-120.4 -84.0 -6.0 -8.8 24.8 -2.3 88 139 A G T <<5 + 0 0 52 -3,-0.7 2,-0.5 -4,-0.7 -3,-0.2 0.843 62.3 146.8 70.3 35.1 -10.2 23.1 0.8 89 140 A I < - 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