==== 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 29-APR-98 1BB8 . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR R.T.CLUBB,K.M.CONNOLLY,J.M.WOJCIAK . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 45.1 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 . 10 14.1 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 . 3 4.2 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 . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 0 0 1 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 1 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 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 0 225 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.7 -10.5 13.4 11.9 2 4 A K - 0 0 130 2,-0.0 2,-0.2 10,-0.0 10,-0.1 -0.668 360.0-175.8-152.7 90.1 -11.6 9.8 11.1 3 5 A R - 0 0 169 8,-0.3 8,-0.5 -2,-0.2 2,-0.3 -0.604 6.3-169.1 -88.8 151.3 -12.1 8.8 7.5 4 6 A R - 0 0 133 -2,-0.2 6,-0.2 6,-0.2 2,-0.1 -0.866 19.3-111.4-133.9 167.5 -13.5 5.4 6.5 5 7 A D - 0 0 17 4,-1.4 -1,-0.0 -2,-0.3 5,-0.0 -0.281 48.7 -83.6 -91.4-177.1 -13.8 3.4 3.2 6 8 A N S S+ 0 0 107 1,-0.1 -1,-0.1 2,-0.1 13,-0.0 0.655 130.2 41.7 -63.1 -9.5 -16.9 2.5 1.3 7 9 A R S S- 0 0 204 2,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.840 119.8 -90.6-101.3 -71.7 -17.2 -0.5 3.8 8 10 A G S S+ 0 0 47 1,-0.1 2,-0.4 0, 0.0 -2,-0.1 0.344 77.4 124.5 169.1 7.1 -16.3 0.7 7.3 9 11 A R - 0 0 72 1,-0.0 -4,-1.4 0, 0.0 2,-0.8 -0.695 60.5-124.9 -88.0 136.5 -12.5 0.2 7.9 10 12 A I - 0 0 69 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.2 -0.681 27.5-160.4 -82.6 111.7 -10.6 3.3 9.0 11 13 A L - 0 0 28 -2,-0.8 -8,-0.3 -8,-0.5 3,-0.1 -0.620 14.5-124.5 -89.4 149.9 -7.7 3.9 6.5 12 14 A K > - 0 0 131 -2,-0.2 3,-1.0 1,-0.2 -1,-0.1 -0.238 44.8 -60.9 -86.0-179.7 -4.8 6.1 7.5 13 15 A T T 3 S+ 0 0 131 1,-0.2 -1,-0.2 -2,-0.0 2,-0.2 -0.253 120.7 27.2 -58.6 145.6 -3.4 9.2 5.8 14 16 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 -0.121 94.6 106.3 94.0 -40.1 -2.1 8.6 2.2 15 17 A E < + 0 0 25 -3,-1.0 2,-0.3 -2,-0.2 -1,-0.3 -0.395 46.8 179.7 -72.1 152.2 -4.4 5.6 1.5 16 18 A S E -A 24 0A 65 8,-1.5 8,-1.1 -3,-0.1 2,-0.5 -0.987 20.6-143.7-154.7 142.4 -7.3 6.2 -0.9 17 19 A Q E -A 23 0A 42 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.905 17.1-146.1-110.3 132.4 -10.1 4.1 -2.4 18 20 A R > - 0 0 104 4,-2.0 3,-1.5 -2,-0.5 6,-0.0 -0.425 34.2-100.5 -89.5 169.9 -11.4 4.6 -5.9 19 21 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.677 124.2 61.1 -64.2 -12.6 -15.0 4.2 -7.1 20 22 A D T 3 S- 0 0 80 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.706 115.3-115.2 -87.7 -18.4 -13.8 0.8 -8.4 21 23 A G S < S+ 0 0 19 -3,-1.5 -2,-0.1 1,-0.4 2,-0.1 0.086 72.7 130.5 107.5 -23.8 -12.8 -0.4 -4.9 22 24 A R - 0 0 84 -5,-0.1 -4,-2.0 1,-0.1 -1,-0.4 -0.399 54.6-130.6 -64.9 137.9 -9.1 -0.8 -5.6 23 25 A Y E -AB 17 39A 13 16,-3.6 16,-1.3 -6,-0.2 2,-0.3 -0.297 18.4-157.4 -82.8 171.4 -7.0 1.0 -2.9 24 26 A L E +AB 16 38A 21 -8,-1.1 -8,-1.5 14,-0.2 2,-0.3 -0.928 13.4 172.0-154.6 127.2 -4.2 3.4 -3.5 25 27 A Y E - B 0 37A 43 12,-1.6 12,-2.6 -2,-0.3 2,-0.4 -0.890 17.9-143.2-132.8 163.2 -1.2 4.5 -1.4 26 28 A K E + B 0 36A 75 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.989 23.2 160.5-131.5 137.0 1.9 6.6 -2.0 27 29 A Y E - B 0 35A 22 8,-2.5 8,-1.9 -2,-0.4 2,-0.4 -0.935 34.3-115.4-145.2 168.5 5.5 6.2 -0.6 28 30 A I E - B 0 34A 89 -2,-0.3 2,-0.1 6,-0.2 -2,-0.0 -0.915 24.9-146.8-112.7 133.1 9.0 7.4 -1.5 29 31 A D > - 0 0 13 4,-1.1 3,-2.4 -2,-0.4 41,-0.1 -0.337 41.8 -86.5 -88.3 174.6 11.8 5.0 -2.6 30 32 A S T 3 S+ 0 0 85 39,-0.5 -1,-0.1 1,-0.3 40,-0.1 0.464 126.4 67.5 -62.1 6.3 15.5 5.3 -1.9 31 33 A F T 3 S- 0 0 159 2,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.641 105.4-125.9-100.7 -16.3 15.6 7.4 -5.1 32 34 A G < + 0 0 53 -3,-2.4 -2,-0.1 1,-0.3 -4,-0.0 0.405 68.3 128.4 88.6 -4.9 13.5 10.3 -3.6 33 35 A E - 0 0 84 1,-0.1 -4,-1.1 -4,-0.1 -1,-0.3 -0.576 67.9-106.4 -83.3 149.9 11.0 10.1 -6.4 34 36 A P E -B 28 0A 74 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.519 40.4-171.6 -74.0 137.4 7.3 9.9 -5.5 35 37 A Q E -B 27 0A 72 -8,-1.9 -8,-2.5 -2,-0.2 2,-0.4 -0.995 9.8-154.3-135.2 137.6 5.8 6.4 -6.2 36 38 A F E -B 26 0A 117 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.868 7.3-162.6-112.6 145.2 2.2 5.1 -6.0 37 39 A V E -B 25 0A 16 -12,-2.6 -12,-1.6 -2,-0.4 2,-0.3 -0.861 3.9-152.3-122.0 157.4 1.0 1.5 -5.4 38 40 A Y E +B 24 0A 93 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.910 17.7 165.4-127.5 155.7 -2.4 -0.1 -6.0 39 41 A S E -B 23 0A 3 -16,-1.3 -16,-3.6 -2,-0.3 18,-0.1 -0.868 38.0-147.7-170.8 136.5 -4.2 -3.0 -4.3 40 42 A W S S+ 0 0 57 -2,-0.3 2,-0.4 -18,-0.3 7,-0.2 0.384 91.6 65.6 -86.6 6.0 -7.6 -4.6 -4.1 41 43 A K - 0 0 29 15,-0.2 17,-1.4 1,-0.1 3,-0.1 -0.988 55.1-172.7-131.8 131.7 -6.8 -5.5 -0.4 42 44 A L S S+ 0 0 7 -2,-0.4 17,-1.3 15,-0.2 18,-0.2 0.885 83.5 18.2 -86.2 -42.8 -6.2 -3.1 2.5 43 45 A V S > S- 0 0 58 15,-0.1 3,-0.9 14,-0.1 15,-0.1 -0.679 88.3-104.7-118.8 174.7 -5.1 -5.9 4.9 44 46 A A T 3 S+ 0 0 47 1,-0.2 -1,-0.0 -2,-0.2 13,-0.0 0.705 117.8 59.7 -75.9 -16.7 -3.8 -9.4 4.3 45 47 A T T 3 S+ 0 0 124 2,-0.1 -1,-0.2 0, 0.0 -4,-0.0 0.550 85.1 100.3 -88.4 -4.9 -7.2 -10.9 5.4 46 48 A D < - 0 0 28 -3,-0.9 2,-0.4 1,-0.0 -5,-0.1 -0.124 66.1-135.9 -70.0 177.3 -9.2 -9.0 2.7 47 49 A R - 0 0 188 -7,-0.2 3,-0.1 7,-0.0 -2,-0.1 -0.999 9.6-124.8-139.6 138.1 -10.3 -10.8 -0.5 48 50 A V - 0 0 5 -2,-0.4 4,-0.2 4,-0.1 3,-0.2 -0.588 44.1 -86.4 -82.1 144.1 -10.2 -9.6 -4.1 49 51 A P > - 0 0 59 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 -0.023 62.0 -79.8 -44.0 143.9 -13.4 -9.6 -6.3 50 52 A A T 3 S+ 0 0 97 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.196 123.4 26.4 -48.8 130.6 -14.3 -12.9 -8.0 51 53 A G T 3 S+ 0 0 86 1,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.199 96.9 111.8 97.9 -16.8 -12.1 -13.2 -11.1 52 54 A K < - 0 0 104 -3,-2.7 -1,-0.3 -4,-0.2 -4,-0.1 -0.740 67.7-126.0 -92.2 135.2 -9.4 -10.9 -9.7 53 55 A R - 0 0 221 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 -0.330 40.2 -79.6 -75.2 161.3 -6.0 -12.6 -8.9 54 56 A D - 0 0 132 -6,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.111 50.9-168.1 -55.5 158.9 -4.4 -12.2 -5.4 55 57 A C - 0 0 32 -3,-0.1 2,-0.5 -16,-0.0 -16,-0.1 -0.976 28.7 -98.7-147.3 158.0 -2.6 -9.0 -4.6 56 58 A I - 0 0 77 -2,-0.3 -15,-0.2 -18,-0.2 5,-0.1 -0.686 43.3-120.1 -83.1 124.5 -0.3 -7.8 -1.9 57 59 A S > - 0 0 0 -2,-0.5 4,-3.4 1,-0.1 -15,-0.2 -0.204 20.6-117.6 -58.4 153.9 -2.2 -5.7 0.7 58 60 A L H > S+ 0 0 0 -17,-1.4 4,-4.0 2,-0.2 5,-0.5 0.977 115.3 53.3 -59.9 -53.4 -0.9 -2.2 1.2 59 61 A R H > S+ 0 0 110 -17,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.929 116.5 40.5 -48.9 -44.6 0.1 -2.7 4.8 60 62 A E H > S+ 0 0 84 -18,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 118.0 47.5 -72.3 -39.1 2.1 -5.7 3.6 61 63 A K H X S+ 0 0 35 -4,-3.4 4,-3.3 2,-0.2 5,-0.3 0.969 112.5 48.1 -67.3 -49.9 3.4 -3.9 0.5 62 64 A I H X>S+ 0 0 27 -4,-4.0 4,-2.8 1,-0.2 5,-0.6 0.956 112.8 49.4 -55.2 -50.3 4.4 -0.7 2.4 63 65 A A H X5S+ 0 0 40 -4,-1.9 4,-1.9 -5,-0.5 5,-0.2 0.947 116.1 41.7 -56.3 -49.3 6.2 -2.8 5.0 64 66 A E H X5S+ 0 0 105 -4,-2.2 4,-1.1 -5,-0.2 5,-0.4 0.902 118.6 44.9 -68.9 -39.7 8.1 -4.8 2.4 65 67 A L H X5S+ 0 0 39 -4,-3.3 4,-2.7 -5,-0.2 -2,-0.2 0.955 120.0 38.1 -71.3 -48.6 8.9 -1.8 0.1 66 68 A Q H <5S+ 0 0 79 -4,-2.8 4,-0.3 -5,-0.3 -3,-0.2 0.895 119.1 47.9 -71.4 -37.7 10.0 0.7 2.8 67 69 A K H << S+ 0 0 129 -4,-1.1 3,-0.9 -5,-0.2 -2,-0.2 0.865 123.4 40.8 -98.8 -51.4 13.6 -3.3 1.7 69 71 A I T 3< S+ 0 0 51 -4,-2.7 -39,-0.5 -5,-0.4 -3,-0.2 0.329 127.5 37.7 -81.4 13.0 14.1 -0.2 -0.5 70 72 A H T 3 0 0 122 -4,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.009 360.0 360.0-151.7 37.1 15.0 1.8 2.6 71 73 A D < 0 0 179 -3,-0.9 -1,-0.1 0, 0.0 -2,-0.1 -0.159 360.0 360.0 52.7 360.0 17.0 -0.5 4.8