==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INTEGRASE/DNA 21-JAN-99 1B69 . COMPND 2 MOLECULE: PROTEIN (INTEGRASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR R.T.CLUBB,J.M.WOJCIAK,K.M.CONNOLLY . 69 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 2.9 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 . 4 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 10.1 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+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 1 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 . 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A E 0 0 244 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.4 16.1 -11.8 10.2 2 4 A K - 0 0 148 10,-0.0 10,-0.1 11,-0.0 2,-0.0 -0.984 360.0-142.0-131.5 126.2 13.6 -9.2 11.4 3 5 A R - 0 0 207 -2,-0.4 8,-1.2 8,-0.2 2,-0.3 -0.323 19.4-148.4 -78.2 168.3 13.1 -5.8 9.8 4 6 A R - 0 0 148 6,-0.2 6,-0.2 1,-0.1 -1,-0.0 -0.820 13.9-105.4-131.5 173.5 12.4 -2.7 12.1 5 7 A D - 0 0 10 -2,-0.3 -1,-0.1 4,-0.2 12,-0.1 -0.026 56.6 -77.5 -84.0-164.4 10.4 0.5 11.8 6 8 A N S S+ 0 0 95 15,-0.2 -1,-0.1 2,-0.1 11,-0.0 0.530 126.1 46.0 -75.5 -1.0 12.0 4.0 11.3 7 9 A R S S- 0 0 201 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 0.529 115.1 -83.6-105.0-108.0 13.0 3.8 15.0 8 10 A G S S+ 0 0 42 2,-0.0 -2,-0.1 -4,-0.0 0, 0.0 0.189 86.4 108.8-153.8 15.1 14.5 0.7 16.6 9 11 A R S S- 0 0 77 1,-0.0 2,-0.4 0, 0.0 -4,-0.2 0.017 70.6-103.2 -82.3-164.0 11.5 -1.5 17.5 10 12 A I - 0 0 81 -6,-0.2 2,-0.3 0, 0.0 -6,-0.2 -0.960 24.1-155.2-130.8 119.3 10.6 -4.7 15.6 11 13 A L - 0 0 11 -8,-1.2 -8,-0.2 -2,-0.4 2,-0.2 -0.681 19.2-129.9 -89.8 143.4 7.8 -5.0 13.1 12 14 A K > - 0 0 129 -2,-0.3 3,-1.9 1,-0.2 -10,-0.0 -0.531 40.2 -76.9 -89.4 160.4 6.2 -8.5 12.6 13 15 A T T 3 S+ 0 0 141 1,-0.2 2,-0.7 -2,-0.2 -1,-0.2 0.008 120.7 35.5 -46.8 162.8 5.7 -10.0 9.1 14 16 A G T 3 S+ 0 0 32 1,-0.2 12,-1.5 -3,-0.1 -1,-0.2 0.015 106.0 89.4 79.0 -36.5 2.8 -8.6 7.1 15 17 A E E < +A 25 0A 29 -3,-1.9 2,-0.3 -2,-0.7 10,-0.2 -0.577 48.2 130.6 -92.3 158.2 3.6 -5.2 8.7 16 18 A S E -A 24 0A 37 8,-1.0 8,-2.4 -2,-0.2 2,-0.3 -0.934 47.2 -97.5-176.1-162.8 6.0 -2.6 7.2 17 19 A Q E -A 23 0A 58 6,-0.3 6,-0.2 -2,-0.3 5,-0.1 -1.000 23.2-143.7-143.3 141.1 6.3 1.1 6.3 18 20 A R - 0 0 112 4,-1.8 3,-0.5 -2,-0.3 6,-0.1 0.143 45.3 -81.3 -84.6-154.2 5.9 2.9 3.0 19 21 A K S S+ 0 0 169 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.703 124.1 64.3 -86.6 -20.7 7.9 6.0 1.7 20 22 A D S S- 0 0 70 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.438 111.7-116.4 -83.0 4.2 5.8 8.5 3.7 21 23 A G S S+ 0 0 23 -3,-0.5 -15,-0.2 1,-0.3 -1,-0.1 0.238 77.4 128.4 81.6 -19.1 7.1 6.9 7.0 22 24 A R - 0 0 68 1,-0.1 -4,-1.8 -5,-0.1 -1,-0.3 -0.334 67.9-103.1 -67.5 152.6 3.5 5.9 7.8 23 25 A Y E -AB 17 39A 16 16,-1.7 16,-1.1 -6,-0.2 2,-0.4 -0.438 34.8-165.1 -76.9 153.2 3.0 2.2 8.6 24 26 A L E -AB 16 38A 17 -8,-2.4 -8,-1.0 14,-0.2 2,-0.6 -0.979 7.6-168.7-141.7 125.4 1.5 -0.1 6.0 25 27 A Y E -AB 15 37A 43 12,-1.8 12,-0.6 -2,-0.4 2,-0.4 -0.913 8.0-170.6-119.0 106.5 0.1 -3.6 6.7 26 28 A K E + B 0 36A 100 -12,-1.5 2,-0.3 -2,-0.6 10,-0.2 -0.778 12.0 167.6 -95.3 137.6 -0.6 -5.7 3.6 27 29 A Y E - B 0 35A 43 8,-1.2 8,-0.6 -2,-0.4 2,-0.5 -0.947 36.5-122.1-153.8 129.6 -2.6 -9.0 4.0 28 30 A I E - B 0 34A 113 -2,-0.3 2,-0.0 6,-0.2 -2,-0.0 -0.563 33.3-147.7 -72.6 119.4 -4.2 -11.3 1.5 29 31 A D > - 0 0 28 4,-0.9 3,-1.5 -2,-0.5 4,-0.2 -0.270 35.4 -90.0 -81.1 173.1 -7.9 -11.6 2.4 30 32 A S T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.385 123.8 68.4 -66.6 11.7 -10.0 -14.8 1.9 31 33 A F T 3 S- 0 0 166 2,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.742 110.5-114.7-100.1 -29.9 -10.8 -13.3 -1.6 32 34 A G S < S+ 0 0 58 -3,-1.5 -2,-0.1 1,-0.2 -4,-0.1 0.716 81.1 108.9 101.0 27.5 -7.3 -13.6 -3.1 33 35 A E S S- 0 0 120 -4,-0.2 -4,-0.9 -6,-0.1 -1,-0.2 -0.947 73.1-113.5-137.6 115.8 -6.6 -9.8 -3.4 34 36 A P E -B 28 0A 63 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 0.021 30.3-144.5 -42.8 151.9 -4.1 -8.0 -1.2 35 37 A Q E -B 27 0A 86 -8,-0.6 -8,-1.2 2,-0.0 2,-0.5 -0.983 2.9-142.3-127.8 133.8 -5.6 -5.4 1.3 36 38 A F E -B 26 0A 102 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.811 16.0-178.6 -98.9 133.5 -4.0 -2.1 2.3 37 39 A V E -B 25 0A 18 -12,-0.6 -12,-1.8 -2,-0.5 2,-0.2 -0.981 11.7-164.4-128.8 118.2 -4.3 -0.7 5.9 38 40 A Y E +B 24 0A 86 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.675 20.0 141.7-103.5 160.3 -2.7 2.7 6.6 39 41 A S E -B 23 0A 5 -16,-1.1 -16,-1.7 -2,-0.2 18,-0.1 -0.968 39.9-143.0-179.0 169.7 -1.8 4.4 9.9 40 42 A W S S+ 0 0 61 16,-0.3 2,-0.5 -2,-0.3 7,-0.1 0.651 83.4 65.8-118.8 -34.9 0.9 6.5 11.6 41 43 A K - 0 0 44 15,-0.3 17,-1.9 1,-0.2 18,-0.4 -0.796 60.3-160.7 -94.2 126.8 0.9 5.2 15.2 42 44 A L S S+ 0 0 10 -2,-0.5 17,-1.0 15,-0.2 2,-0.3 0.895 85.3 14.3 -72.4 -34.7 2.2 1.6 15.6 43 45 A V S > S- 0 0 49 15,-0.1 2,-3.8 16,-0.1 3,-1.6 -0.953 95.4 -96.0-136.0 153.8 0.5 1.4 19.0 44 46 A A T 3 S+ 0 0 64 -2,-0.3 12,-0.0 1,-0.2 3,-0.0 -0.255 113.4 65.9 -69.4 65.7 -2.1 3.6 20.6 45 47 A T T 3 S+ 0 0 115 -2,-3.8 -1,-0.2 2,-0.1 -4,-0.0 0.376 79.7 80.7-151.8 -31.6 0.6 5.6 22.5 46 48 A D S < S- 0 0 58 -3,-1.6 2,-0.2 1,-0.1 -5,-0.1 0.171 71.8-126.5 -68.1-164.1 2.7 7.4 19.8 47 49 A R - 0 0 220 -7,-0.1 -1,-0.1 7,-0.0 -2,-0.1 -0.507 10.9-123.4-130.0-160.0 1.6 10.7 18.1 48 50 A V - 0 0 43 -2,-0.2 4,-0.2 4,-0.1 3,-0.1 -0.895 31.3 -99.8-157.1 124.0 1.0 12.0 14.6 49 51 A P > - 0 0 72 0, 0.0 3,-1.8 0, 0.0 -9,-0.0 -0.078 53.7 -96.2 -42.7 132.4 2.6 15.0 12.7 50 52 A A T 3 S+ 0 0 97 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.147 112.9 42.1 -50.6 146.9 0.1 17.9 12.7 51 53 A G T 3 S+ 0 0 81 1,-0.4 -1,-0.2 -3,-0.1 2,-0.2 0.162 91.7 109.7 97.6 -19.6 -1.9 18.1 9.5 52 54 A K S < S- 0 0 96 -3,-1.8 2,-0.5 -4,-0.2 -1,-0.4 -0.566 79.0-105.9 -87.5 153.6 -2.4 14.3 9.5 53 55 A R - 0 0 220 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.653 38.2-116.5 -81.0 126.3 -5.8 12.7 10.2 54 56 A D + 0 0 139 -2,-0.5 2,-0.3 -6,-0.1 -1,-0.1 -0.156 45.8 162.6 -56.3 155.7 -5.9 11.2 13.6 55 57 A A - 0 0 38 -16,-0.0 -14,-0.1 0, 0.0 -15,-0.1 -0.976 41.2 -91.8-168.5 159.2 -6.4 7.4 13.7 56 58 A I - 0 0 74 -2,-0.3 -15,-0.3 1,-0.1 -16,-0.3 -0.222 60.8 -82.0 -70.9 172.0 -6.1 4.4 16.0 57 59 A S >> - 0 0 1 1,-0.1 3,-3.2 -18,-0.1 4,-1.4 -0.527 37.6-115.5 -76.6 141.9 -2.8 2.5 16.0 58 60 A L H 3> S+ 0 0 3 -17,-1.9 4,-3.2 1,-0.3 5,-0.3 0.847 118.0 65.7 -45.2 -33.0 -2.5 -0.0 13.1 59 61 A R H 3> S+ 0 0 105 -17,-1.0 4,-1.5 -18,-0.4 -1,-0.3 0.848 99.6 50.4 -61.5 -29.6 -2.3 -2.6 15.9 60 62 A E H <> S+ 0 0 101 -3,-3.2 4,-1.0 2,-0.2 -1,-0.2 0.887 112.1 47.3 -76.2 -35.2 -5.9 -1.6 16.8 61 63 A K H >X S+ 0 0 63 -4,-1.4 4,-1.8 2,-0.2 3,-1.6 0.981 109.6 51.3 -68.6 -53.8 -7.0 -2.1 13.2 62 64 A I H 3X S+ 0 0 11 -4,-3.2 4,-2.2 1,-0.3 5,-0.3 0.918 104.1 60.5 -49.1 -42.8 -5.2 -5.5 12.8 63 65 A A H 3X S+ 0 0 32 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.3 0.869 103.8 50.4 -55.0 -34.2 -7.1 -6.5 15.9 64 66 A E H << S+ 0 0 93 -3,-1.6 4,-0.3 -4,-1.0 -1,-0.2 0.907 108.5 50.6 -72.6 -39.0 -10.3 -5.9 14.0 65 67 A L H < S+ 0 0 76 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.832 112.4 47.9 -68.1 -29.2 -9.2 -8.0 11.1 66 68 A Q H < S+ 0 0 149 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.885 118.4 40.2 -79.2 -37.9 -8.3 -10.8 13.4 67 69 A K S < S- 0 0 172 -4,-1.9 -3,-0.1 -5,-0.3 -2,-0.1 0.893 113.6 -94.7 -74.5 -94.6 -11.6 -10.7 15.3 68 70 A D 0 0 147 1,-0.4 -4,-0.1 -4,-0.3 -3,-0.0 0.351 360.0 360.0-157.2 -44.6 -14.5 -10.0 12.9 69 71 A I 0 0 169 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.561 360.0 360.0-151.0 360.0 -15.4 -6.3 12.6