==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 14-SEP-09 3JU0 . COMPND 2 MOLECULE: PHAGE INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PECTOBACTERIUM ATROSEPTICUM; . AUTHOR A.SZWAGIERCZAK,U.ANTONENKA,G.M.POPOWICZ,T.SITAR,T.A.HOLAK,A. . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 65.3 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 . 24 25.3 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 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 0 1 0 0 0 0 0 0 0 0 0 1 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 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S 0 0 123 0, 0.0 20,-0.2 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 135.8 -19.8 -8.8 12.6 2 3 A L - 0 0 12 17,-0.1 2,-0.3 19,-0.1 3,-0.0 -0.283 360.0-155.9 -77.4 162.6 -18.4 -11.1 9.9 3 4 A T > - 0 0 64 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.906 33.0-106.0-129.7 160.0 -14.9 -12.5 9.8 4 5 A D H > S+ 0 0 103 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.906 121.3 50.5 -53.2 -43.9 -12.8 -13.7 6.8 5 6 A S H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.909 108.0 50.1 -66.6 -40.5 -13.3 -17.3 8.0 6 7 A K H > S+ 0 0 78 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.925 113.9 48.0 -62.3 -40.2 -17.2 -17.1 8.4 7 8 A V H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.946 114.9 43.5 -63.2 -49.2 -17.3 -15.6 4.9 8 9 A K H < S+ 0 0 135 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.873 117.0 46.2 -62.3 -42.5 -15.1 -18.3 3.4 9 10 A N H < S+ 0 0 115 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.571 80.2 116.5 -86.6 -9.0 -16.7 -21.1 5.2 10 11 A A < - 0 0 11 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.0 -0.344 52.9-153.4 -58.2 130.8 -20.4 -20.2 4.5 11 12 A K - 0 0 116 18,-0.1 2,-0.1 -2,-0.0 18,-0.1 -0.829 17.3-105.0-109.6 149.7 -22.1 -22.9 2.4 12 13 A S - 0 0 59 -2,-0.3 2,-0.2 19,-0.1 18,-0.1 -0.455 33.8-167.6 -69.9 149.3 -25.0 -22.5 0.1 13 14 A L - 0 0 107 2,-0.5 20,-0.1 16,-0.3 4,-0.1 -0.381 43.7 -80.2-116.6-163.9 -28.4 -23.8 1.1 14 15 A E S S+ 0 0 172 -2,-0.2 2,-0.3 2,-0.1 -2,-0.0 0.822 114.6 30.3 -74.9 -30.7 -31.6 -24.3 -0.9 15 16 A K S S- 0 0 114 15,-0.1 -2,-0.5 1,-0.1 14,-0.0 -0.841 98.9 -89.6-124.3 157.7 -32.6 -20.7 -0.8 16 17 A E - 0 0 98 -2,-0.3 2,-0.3 -4,-0.1 14,-0.2 -0.334 44.8-171.6 -63.5 146.3 -30.5 -17.5 -0.7 17 18 A Y E -A 29 0A 43 12,-1.9 12,-3.1 -4,-0.1 2,-0.4 -0.986 16.2-129.8-139.4 158.5 -29.6 -16.2 2.8 18 19 A K E -A 28 0A 122 -2,-0.3 2,-0.6 10,-0.2 10,-0.2 -0.878 6.3-160.7-108.7 136.4 -27.9 -13.1 4.2 19 20 A L E -A 27 0A 52 8,-2.8 8,-2.8 -2,-0.4 2,-0.2 -0.954 26.2-138.4-108.6 113.1 -25.1 -12.9 6.6 20 21 A T E +A 26 0A 98 -2,-0.6 6,-0.3 6,-0.2 3,-0.1 -0.471 26.5 179.4 -78.7 144.3 -25.2 -9.5 8.2 21 22 A D E - 0 0 9 4,-3.0 5,-0.2 1,-0.3 -1,-0.1 0.417 50.1-108.5-112.2 -8.6 -22.0 -7.5 8.8 22 23 A G E > S+A 25 0A 26 3,-0.9 3,-2.1 -21,-0.1 -1,-0.3 -0.223 92.4 68.0 98.2 163.2 -23.6 -4.3 10.3 23 24 A F T 3 S- 0 0 149 1,-0.3 3,-0.1 -2,-0.1 -1,-0.0 0.723 129.6 -58.5 55.6 26.9 -24.1 -0.9 9.0 24 25 A G T 3 S+ 0 0 32 1,-0.3 16,-2.9 15,-0.1 2,-0.3 0.387 108.1 122.5 92.3 -9.8 -26.5 -2.1 6.4 25 26 A M E < +AB 22 39A 0 -3,-2.1 -4,-3.0 14,-0.2 -3,-0.9 -0.726 30.7 163.5 -95.0 140.8 -24.0 -4.5 4.7 26 27 A H E -AB 20 38A 18 12,-2.6 12,-2.6 -2,-0.3 2,-0.5 -0.970 36.2-121.2-143.8 159.3 -24.5 -8.2 4.3 27 28 A L E -AB 19 37A 0 -8,-2.8 -8,-2.8 -2,-0.3 2,-0.6 -0.926 24.1-148.2 -96.4 128.1 -23.2 -11.1 2.3 28 29 A L E -AB 18 36A 20 8,-3.2 8,-2.7 -2,-0.5 2,-0.7 -0.879 7.4-159.5 -95.2 118.7 -25.8 -12.9 0.2 29 30 A V E -AB 17 35A 2 -12,-3.1 -12,-1.9 -2,-0.6 -16,-0.3 -0.905 16.9-156.9-103.9 110.2 -25.0 -16.6 -0.0 30 31 A H > - 0 0 52 4,-2.8 3,-2.0 -2,-0.7 -15,-0.1 -0.592 26.9-126.2 -97.1 149.8 -26.8 -17.8 -3.1 31 32 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.770 109.6 69.9 -65.7 -17.1 -27.9 -21.3 -3.9 32 33 A N T 3 S- 0 0 90 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.519 120.1-109.6 -71.3 -6.5 -26.0 -20.9 -7.2 33 34 A G S < S+ 0 0 50 -3,-2.0 -1,-0.1 1,-0.4 2,-0.1 0.134 79.3 124.7 96.9 -10.0 -22.8 -21.0 -5.1 34 35 A S - 0 0 48 -5,-0.1 -4,-2.8 20,-0.0 2,-0.4 -0.397 51.0-144.4 -86.0 156.2 -22.0 -17.3 -5.5 35 36 A K E -BC 29 55A 28 20,-0.6 20,-2.2 -6,-0.2 2,-0.4 -0.995 17.6-167.2-127.8 114.9 -21.4 -14.8 -2.6 36 37 A Y E -BC 28 54A 53 -8,-2.7 -8,-3.2 -2,-0.4 2,-0.4 -0.920 15.7-140.5-111.8 130.3 -22.6 -11.3 -3.1 37 38 A W E +BC 27 53A 0 16,-3.0 15,-2.8 -2,-0.4 16,-0.9 -0.765 30.8 178.1 -87.3 132.5 -21.8 -8.2 -1.1 38 39 A R E -BC 26 51A 47 -12,-2.6 -12,-2.6 -2,-0.4 2,-0.5 -0.986 21.4-154.2-136.3 146.7 -24.8 -5.9 -0.7 39 40 A L E -BC 25 50A 0 11,-2.5 11,-2.4 -2,-0.3 2,-0.5 -0.972 9.3-151.0-121.9 125.0 -25.6 -2.7 1.1 40 41 A S E + C 0 49A 43 -16,-2.9 2,-0.3 -2,-0.5 9,-0.2 -0.780 32.4 155.5 -88.3 133.9 -29.1 -1.7 2.2 41 42 A Y E - C 0 48A 13 7,-2.2 7,-3.6 -2,-0.5 2,-0.4 -0.969 38.5-121.8-151.8 164.3 -29.7 2.1 2.2 42 43 A R E + C 0 47A 139 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.933 35.8 155.5-114.0 139.1 -32.4 4.7 2.0 43 44 A F E > + C 0 46A 34 3,-2.2 3,-2.4 -2,-0.4 -2,-0.1 -0.952 65.3 10.9-158.8 134.0 -32.4 7.4 -0.7 44 45 A E T 3 S- 0 0 149 1,-0.4 3,-0.1 -2,-0.3 35,-0.0 0.782 130.4 -80.5 58.0 37.6 -35.3 9.5 -2.2 45 46 A K T 3 S+ 0 0 81 1,-0.2 -1,-0.4 3,-0.0 2,-0.3 -0.017 107.4 109.2-118.5 84.6 -36.4 8.0 0.2 46 47 A K E < S-C 43 0A 90 -3,-2.4 -3,-2.2 -5,-0.0 2,-0.4 -0.687 73.8 -97.9-104.6 160.5 -37.2 4.5 -0.6 47 48 A Q E -C 42 0A 107 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.766 50.4-179.4 -85.5 138.2 -35.2 1.6 0.7 48 49 A R E -C 41 0A 54 -7,-3.6 -7,-2.2 -2,-0.4 2,-0.4 -0.825 23.6-134.6-138.0 165.2 -32.7 0.3 -1.9 49 50 A L E -C 40 0A 110 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.993 16.2-159.6-129.6 132.4 -30.1 -2.3 -2.3 50 51 A L E -C 39 0A 10 -11,-2.4 -11,-2.5 -2,-0.4 2,-0.5 -0.963 15.5-133.4-114.0 128.2 -26.6 -1.7 -3.7 51 52 A A E +C 38 0A 49 -2,-0.4 -13,-0.2 -13,-0.2 34,-0.1 -0.670 22.6 178.7 -77.8 124.6 -24.3 -4.3 -5.1 52 53 A L E - 0 0 0 -15,-2.8 2,-0.3 -2,-0.5 -14,-0.2 0.496 51.6 -80.6-102.9 -8.2 -20.8 -3.9 -3.8 53 54 A G E -C 37 0A 16 -16,-0.9 -16,-3.0 2,-0.0 2,-0.4 -0.821 46.1 -68.7 134.6-177.3 -19.1 -6.8 -5.5 54 55 A V E > -C 36 0A 65 -2,-0.3 4,-2.1 -18,-0.2 3,-0.5 -0.963 51.4 -99.0-120.7 129.9 -18.5 -10.6 -5.5 55 56 A Y E 4 S+C 35 0A 44 -20,-2.2 -20,-0.6 -2,-0.4 4,-0.1 -0.664 103.1 21.9 -82.4 139.5 -16.5 -12.6 -3.0 56 57 A P T 4 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.970 122.2 57.7 -95.5 5.6 -13.6 -13.7 -3.3 57 58 A A T 4 S+ 0 0 72 -3,-0.5 2,-0.5 1,-0.2 -2,-0.2 0.898 119.4 37.8 -56.5 -38.0 -12.9 -10.9 -6.0 58 59 A V S < S- 0 0 6 -4,-2.1 -1,-0.2 32,-0.1 -6,-0.0 -0.962 89.1-149.9-117.1 118.4 -13.9 -8.5 -3.2 59 60 A S > - 0 0 30 -2,-0.5 4,-2.7 -4,-0.1 5,-0.2 -0.235 32.0 -99.9 -78.9 171.5 -12.8 -9.5 0.3 60 61 A L H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.939 126.8 48.7 -58.4 -44.2 -14.6 -8.6 3.5 61 62 A A H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 111.7 49.3 -60.0 -45.1 -12.1 -5.7 4.0 62 63 A D H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 109.7 51.9 -60.0 -41.2 -12.7 -4.6 0.5 63 64 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.917 108.0 50.9 -64.6 -42.0 -16.5 -4.7 1.0 64 65 A R H X S+ 0 0 70 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.881 109.9 51.8 -63.0 -37.3 -16.3 -2.6 4.2 65 66 A Q H X S+ 0 0 94 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.912 110.7 46.8 -65.2 -41.6 -14.2 -0.1 2.2 66 67 A R H X S+ 0 0 16 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.886 110.5 53.2 -68.9 -35.9 -16.8 0.0 -0.5 67 68 A R H X S+ 0 0 33 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.938 108.8 50.4 -58.3 -48.4 -19.6 0.4 2.1 68 69 A D H X S+ 0 0 63 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 109.7 49.8 -57.6 -48.0 -17.6 3.3 3.5 69 70 A E H X S+ 0 0 52 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.909 110.5 50.2 -60.0 -37.8 -17.4 4.9 0.1 70 71 A A H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.897 108.4 51.9 -67.1 -39.6 -21.1 4.5 -0.4 71 72 A K H X S+ 0 0 80 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.860 108.2 52.8 -65.4 -36.9 -21.9 6.1 3.0 72 73 A K H X S+ 0 0 124 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.921 109.6 48.1 -63.2 -44.0 -19.7 9.0 1.9 73 74 A L H ><>S+ 0 0 45 -4,-2.0 5,-2.8 1,-0.2 3,-0.8 0.952 110.6 51.1 -61.2 -47.6 -21.7 9.5 -1.3 74 75 A L H ><5S+ 0 0 40 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.890 107.7 53.4 -52.0 -47.5 -25.0 9.2 0.6 75 76 A A H 3<5S+ 0 0 92 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.773 107.0 51.4 -61.1 -26.5 -23.7 11.9 3.0 76 77 A A T <<5S- 0 0 72 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.368 123.2-106.4 -94.2 7.6 -22.9 14.2 0.0 77 78 A G T < 5S+ 0 0 54 -3,-1.4 2,-0.5 -4,-0.4 -3,-0.2 0.706 77.2 135.7 81.3 22.5 -26.4 13.7 -1.2 78 79 A I < - 0 0 79 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.900 61.4-119.5-109.7 127.9 -25.3 11.4 -4.1 79 80 A D > - 0 0 35 -2,-0.5 3,-2.0 1,-0.2 4,-0.2 -0.458 20.6-146.8 -62.8 117.7 -27.1 8.2 -5.0 80 81 A P G > S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.723 91.0 75.2 -68.5 -13.2 -24.4 5.6 -4.5 81 82 A S G 3 S+ 0 0 68 1,-0.2 4,-0.1 -11,-0.1 -2,-0.1 0.667 83.8 69.0 -67.9 -9.3 -25.9 3.4 -7.3 82 83 A A G < S+ 0 0 84 -3,-2.0 2,-0.3 2,-0.1 -1,-0.2 0.670 83.4 95.0 -84.2 -8.8 -24.4 6.0 -9.7 83 84 A K S < S- 0 0 85 -3,-1.4 2,-0.9 -4,-0.2 3,-0.1 -0.551 77.6-129.3 -87.0 137.7 -20.9 4.8 -8.8 84 85 A K > - 0 0 133 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 -0.755 22.2-156.7 -76.4 108.7 -18.9 2.2 -10.7 85 86 A Q G > S+ 0 0 28 -2,-0.9 3,-2.1 1,-0.3 -1,-0.2 0.824 85.2 67.4 -64.0 -33.2 -17.9 -0.0 -7.8 86 87 A A G 3 S+ 0 0 59 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.707 81.3 75.5 -58.9 -19.6 -14.9 -1.4 -9.6 87 88 A D G < S+ 0 0 107 -3,-1.8 2,-1.1 1,-0.1 -1,-0.3 0.711 77.2 86.0 -66.9 -16.4 -13.3 2.0 -9.5 88 89 A N S < S- 0 0 19 -3,-2.1 -1,-0.1 -4,-0.3 -22,-0.1 -0.737 86.4-139.3 -78.0 98.4 -12.7 1.1 -5.8 89 90 A K - 0 0 78 -2,-1.1 2,-0.1 1,-0.1 -2,-0.1 -0.343 15.0-126.4 -64.4 142.5 -9.5 -0.9 -6.2 90 91 A T > - 0 0 6 -4,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.376 22.6-106.2 -86.5 166.2 -9.3 -4.0 -4.1 91 92 A I H > S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.939 122.8 45.1 -58.9 -45.2 -6.5 -4.7 -1.7 92 93 A Q H 4 S+ 0 0 69 2,-0.2 -1,-0.2 1,-0.2 -34,-0.1 0.841 108.0 55.5 -61.5 -42.4 -5.1 -7.4 -4.1 93 94 A E H 4 S+ 0 0 120 1,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.885 102.6 59.7 -58.4 -37.0 -5.5 -5.2 -7.1 94 95 A K H < 0 0 96 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.915 360.0 360.0 -57.0 -48.9 -3.3 -2.8 -5.1 95 96 A R < 0 0 148 -4,-1.5 -1,-0.1 -5,-0.2 -5,-0.0 -0.433 360.0 360.0 -49.5 360.0 -0.7 -5.5 -5.0