==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 01-SEP-10 2XQC . COMPND 2 MOLECULE: TRANSPOSASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR A.B.HICKMAN,J.A.JAMES,O.BARABAS,C.PASTERNAK,B.TON-HOANG,M.CH . 261 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 23.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 20 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 0 0 0 0 0 0 1 0 1 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 . 2 0 2 0 2 0 2 2 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 0 2 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 9 A E 0 0 210 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.3 19.1 44.1 -15.6 2 10 A M - 0 0 45 9,-0.1 9,-0.2 1,-0.1 2,-0.2 -0.588 360.0-126.4 -81.5 140.9 16.2 46.2 -14.6 3 11 A K E -A 10 0A 69 7,-2.9 7,-2.2 -2,-0.3 2,-0.4 -0.514 25.7-139.5 -80.7 159.1 12.7 44.9 -15.1 4 12 A K E +A 9 0A 158 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.961 25.9 164.3-131.1 137.3 10.2 47.1 -17.1 5 13 A G E > -A 8 0A 31 3,-2.8 3,-0.9 -2,-0.4 0, 0.0 -0.849 55.4 -81.4-133.6 176.9 6.6 48.0 -16.7 6 14 A R T 3 S+ 0 0 220 -2,-0.3 3,-0.0 1,-0.2 -1,-0.0 0.866 123.8 15.4 -52.4 -47.0 4.4 50.7 -18.3 7 15 A G T 3 S+ 0 0 17 230,-0.1 231,-1.0 1,-0.1 2,-0.3 0.320 124.5 38.2-116.2 20.1 5.4 53.5 -15.8 8 16 A Y E < -Ab 5 238A 49 -3,-0.9 -3,-2.8 229,-0.3 2,-0.4 -0.996 53.7-141.2-165.7 161.8 8.4 52.2 -14.1 9 17 A V E +Ab 4 239A 42 229,-2.3 231,-2.2 -2,-0.3 2,-0.3 -0.962 43.7 161.5-127.0 135.2 11.7 50.3 -14.2 10 18 A Y E -Ab 3 240A 25 -7,-2.2 -7,-2.9 -2,-0.4 2,-0.2 -0.980 44.1-163.3-157.7 168.6 12.4 48.1 -11.1 11 19 A Q E + b 0 241A 38 229,-1.8 231,-2.0 -2,-0.3 2,-0.5 -0.765 31.0 172.0-155.2 96.5 14.2 45.4 -9.2 12 20 A L E +F 66 0B 0 54,-0.6 54,-2.4 -2,-0.2 2,-0.4 -0.949 4.9 169.7-122.5 115.4 12.2 44.5 -6.0 13 21 A E E -FG 65 113B 26 100,-0.6 100,-2.2 -2,-0.5 2,-0.4 -0.975 7.5-173.6-124.0 137.5 13.0 41.6 -3.8 14 22 A Y E -FG 64 112B 4 50,-2.2 50,-3.1 -2,-0.4 2,-0.6 -0.988 17.6-146.2-129.1 143.8 11.5 40.9 -0.4 15 23 A H E -FG 63 111B 14 96,-2.8 96,-2.2 -2,-0.4 2,-0.4 -0.940 24.0-169.6-109.9 114.9 12.3 38.3 2.2 16 24 A L E +FG 62 110B 0 46,-3.1 46,-2.5 -2,-0.6 2,-0.4 -0.939 7.9 177.6-108.0 136.5 9.1 37.2 4.0 17 25 A I E +FG 61 109B 34 92,-2.6 92,-2.9 -2,-0.4 2,-0.3 -0.997 3.9 166.8-139.0 137.7 9.0 35.0 7.1 18 26 A W E -F 60 0B 2 42,-1.4 42,-2.5 -2,-0.4 2,-0.3 -0.972 20.7-133.8-145.7 160.3 6.2 33.8 9.3 19 27 A C E -F 59 0B 20 88,-0.5 86,-3.3 -2,-0.3 40,-0.3 -0.757 25.0 -97.1-116.5 163.4 5.7 31.2 12.0 20 28 A V B > -K 104 0C 0 38,-2.4 3,-2.1 -2,-0.3 84,-0.3 -0.470 54.9 -93.5 -73.9 144.8 3.2 28.5 13.0 21 29 A K G > S+ 0 0 47 82,-2.4 3,-1.6 1,-0.3 -1,-0.1 -0.297 113.8 9.9 -59.2 138.3 0.7 29.5 15.6 22 30 A Y G 3 S- 0 0 144 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.510 120.2 -92.1 65.6 7.6 1.9 28.7 19.2 23 31 A R G < + 0 0 129 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.788 68.2 176.3 54.6 34.7 5.2 27.9 17.5 24 32 A H < - 0 0 53 -3,-1.6 2,-1.4 1,-0.1 3,-0.3 -0.429 36.3-128.3 -68.0 141.9 4.2 24.2 17.0 25 33 A Q + 0 0 104 1,-0.2 33,-0.2 -2,-0.1 -1,-0.1 -0.296 66.0 128.1 -87.0 56.7 6.8 22.2 15.1 26 34 A V + 0 0 20 -2,-1.4 2,-2.0 31,-0.2 -1,-0.2 0.588 34.7 94.0 -91.0 -13.0 4.2 20.8 12.6 27 35 A L + 0 0 3 30,-2.6 2,-0.3 -3,-0.3 -1,-0.1 -0.498 63.3 116.2 -82.2 73.3 5.6 21.6 9.2 28 36 A V >> - 0 0 78 -2,-2.0 3,-1.3 29,-0.1 4,-0.9 -0.928 65.6 -14.7-137.6 162.3 7.3 18.3 8.6 29 37 A G H 3> S+ 0 0 54 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 -0.139 128.6 0.6 50.8-130.2 7.1 15.3 6.3 30 38 A E H 3> S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.833 134.4 54.7 -58.3 -37.9 4.0 15.2 4.2 31 39 A V H <> S+ 0 0 13 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.927 109.4 47.7 -64.5 -43.3 2.6 18.4 5.7 32 40 A A H X S+ 0 0 9 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.936 113.2 47.3 -63.9 -45.7 5.8 20.3 4.8 33 41 A D H X S+ 0 0 102 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.898 111.5 51.4 -64.0 -38.0 5.8 19.0 1.2 34 42 A G H X S+ 0 0 7 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.884 107.6 53.0 -64.4 -39.1 2.1 19.8 0.8 35 43 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.895 104.6 55.5 -64.2 -40.6 2.7 23.3 2.0 36 44 A K H X S+ 0 0 72 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.944 111.0 44.3 -60.2 -44.4 5.4 23.8 -0.6 37 45 A D H X S+ 0 0 67 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.932 113.5 51.1 -65.2 -44.4 3.0 22.9 -3.4 38 46 A I H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.916 110.7 47.2 -59.5 -41.7 0.2 25.0 -1.9 39 47 A L H X S+ 0 0 3 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.908 111.7 51.3 -68.0 -38.1 2.4 28.2 -1.6 40 48 A R H X S+ 0 0 128 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.955 111.4 48.9 -63.1 -45.1 3.6 27.6 -5.2 41 49 A D H X S+ 0 0 58 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.926 112.9 46.0 -59.1 -49.1 -0.1 27.3 -6.3 42 50 A I H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.910 112.7 50.1 -61.8 -43.4 -1.1 30.5 -4.5 43 51 A A H <>S+ 0 0 2 -4,-2.8 5,-2.7 1,-0.2 4,-0.3 0.932 112.1 47.6 -63.2 -42.0 1.9 32.5 -5.8 44 52 A A H ><5S+ 0 0 80 -4,-2.7 3,-1.1 -5,-0.2 -1,-0.2 0.910 110.8 51.8 -65.9 -39.9 1.1 31.4 -9.4 45 53 A Q H 3<5S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.860 114.8 42.6 -63.6 -35.7 -2.5 32.3 -8.9 46 54 A N T 3<5S- 0 0 70 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.274 112.4-115.2 -93.7 7.3 -1.6 35.8 -7.7 47 55 A G T < 5 + 0 0 55 -3,-1.1 2,-0.5 -4,-0.3 -3,-0.2 0.820 64.6 148.6 63.0 32.8 1.2 36.4 -10.2 48 56 A L < - 0 0 10 -5,-2.7 2,-0.6 -6,-0.2 -1,-0.2 -0.869 43.8-136.0-102.8 126.8 3.9 36.5 -7.5 49 57 A E E -H 65 0B 103 16,-1.1 16,-2.5 -2,-0.5 2,-0.7 -0.675 13.3-157.0 -84.9 120.3 7.4 35.3 -8.5 50 58 A V E -H 64 0B 49 -2,-0.6 14,-0.2 14,-0.2 3,-0.1 -0.872 12.1-178.3 -96.6 115.3 8.9 33.1 -5.8 51 59 A I E S- 0 0 71 12,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.950 71.7 -5.8 -77.0 -55.0 12.7 33.1 -6.1 52 60 A T E -H 63 0B 74 11,-1.3 11,-2.7 2,-0.0 2,-0.4 -0.982 61.3-165.3-137.6 158.1 13.3 30.7 -3.2 53 61 A M E -H 62 0B 50 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.998 5.3-178.4-144.3 131.6 11.2 28.9 -0.6 54 62 A E E -H 61 0B 73 7,-2.5 7,-2.9 -2,-0.4 2,-0.5 -0.994 8.9-161.7-133.3 130.3 12.2 27.1 2.6 55 63 A V E -H 60 0B 19 -2,-0.4 5,-0.2 5,-0.2 -23,-0.0 -0.956 11.9-179.7-114.7 118.3 9.9 25.4 5.0 56 64 A M E > -H 59 0B 43 3,-3.0 3,-0.5 -2,-0.5 -29,-0.1 -0.694 46.3 -92.8-105.3 168.2 11.2 24.6 8.5 57 65 A P T 3 S+ 0 0 45 0, 0.0 -30,-2.6 0, 0.0 -31,-0.2 0.792 120.5 16.3 -54.1 -34.8 9.2 22.9 11.2 58 66 A D T 3 S+ 0 0 18 -33,-0.2 -38,-2.4 -32,-0.2 2,-0.3 0.333 127.1 34.9-121.0 4.1 7.8 26.1 12.8 59 67 A H E < -FH 19 56B 29 -3,-0.5 -3,-3.0 -40,-0.3 2,-0.4 -0.995 59.8-138.8-157.2 159.9 8.4 28.8 10.2 60 68 A V E -FH 18 55B 0 -42,-2.5 -42,-1.4 -2,-0.3 2,-0.4 -0.958 8.8-158.5-123.8 138.1 8.5 29.5 6.4 61 69 A H E +FH 17 54B 11 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.4 -0.972 12.4 178.4-113.2 132.7 11.0 31.7 4.4 62 70 A L E -FH 16 53B 1 -46,-2.5 -46,-3.1 -2,-0.4 2,-0.6 -0.999 16.3-160.5-132.2 130.7 10.1 33.1 1.0 63 71 A L E -FH 15 52B 12 -11,-2.7 -12,-2.9 -2,-0.4 -11,-1.3 -0.976 25.8-170.7-106.8 118.9 12.3 35.3 -1.1 64 72 A L E -FH 14 50B 0 -50,-3.1 -50,-2.2 -2,-0.6 2,-0.5 -0.845 23.8-150.5-114.2 147.2 9.9 37.1 -3.6 65 73 A S E -FH 13 49B 6 -16,-2.5 -16,-1.1 -2,-0.3 -52,-0.2 -0.977 32.3-177.6-114.1 125.3 10.5 39.2 -6.7 66 74 A A E -F 12 0B 2 -54,-2.4 -54,-0.6 -2,-0.5 -18,-0.1 -0.683 28.1-122.6-124.0 166.5 7.6 41.7 -7.0 67 75 A T > - 0 0 40 -2,-0.2 3,-1.5 -56,-0.1 -56,-0.0 -0.608 42.5-103.1 -95.8 168.0 6.3 44.5 -9.3 68 76 A P T 3 S+ 0 0 3 0, 0.0 134,-0.3 0, 0.0 -1,-0.0 0.751 119.9 60.1 -64.5 -21.3 5.7 47.9 -7.8 69 77 A Q T 3 S+ 0 0 87 133,-0.1 2,-1.1 1,-0.1 132,-0.0 0.451 80.0 91.9 -85.8 -0.8 2.0 47.2 -7.8 70 78 A Q < - 0 0 39 -3,-1.5 2,-0.1 4,-0.0 -1,-0.1 -0.783 68.9-155.7 -98.9 95.5 2.2 44.2 -5.5 71 79 A A > - 0 0 20 -2,-1.1 4,-2.2 1,-0.1 5,-0.3 -0.406 17.4-122.6 -75.2 145.2 1.8 45.7 -2.0 72 80 A I H > S+ 0 0 6 126,-0.3 4,-2.8 1,-0.2 5,-0.3 0.927 106.9 48.2 -54.8 -54.6 3.1 43.8 1.0 73 81 A P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.875 112.5 53.3 -58.5 -34.5 -0.0 43.4 3.1 74 82 A D H > S+ 0 0 113 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.924 112.6 40.4 -65.2 -48.2 -1.9 42.1 0.0 75 83 A F H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.888 114.7 52.6 -73.7 -26.8 0.7 39.4 -0.9 76 84 A V H X>S+ 0 0 7 -4,-2.8 4,-2.8 -5,-0.3 5,-0.5 0.953 110.5 48.4 -71.6 -41.5 1.2 38.4 2.8 77 85 A K H X>S+ 0 0 165 -4,-2.5 4,-2.1 -5,-0.3 5,-0.8 0.954 112.8 48.4 -59.4 -47.4 -2.6 38.0 3.2 78 86 A A H X5S+ 0 0 19 -4,-2.3 4,-1.3 3,-0.2 5,-0.4 0.945 117.0 41.5 -59.7 -46.5 -2.8 35.9 -0.0 79 87 A L H X5S+ 0 0 0 -4,-2.5 4,-1.3 3,-0.2 -2,-0.2 0.945 125.3 31.8 -69.5 -49.0 0.1 33.6 1.0 80 88 A K H X5S+ 0 0 19 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.944 122.4 46.0 -75.8 -49.0 -0.7 33.1 4.7 81 89 A G H X< + 0 0 36 -4,-2.9 3,-2.4 -5,-0.2 -1,-0.3 -0.623 64.6 171.1-131.7 75.2 -4.3 17.8 6.1 92 100 A P G > S+ 0 0 62 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.709 70.1 77.8 -60.5 -17.0 -7.2 17.6 8.6 93 101 A Q G > S+ 0 0 78 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.713 77.0 75.9 -66.1 -18.6 -4.8 16.0 11.1 94 102 A L G X> S+ 0 0 10 -3,-2.4 4,-1.7 1,-0.3 3,-0.8 0.787 82.0 69.4 -62.9 -24.6 -3.5 19.6 11.7 95 103 A K G <4 S+ 0 0 116 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.717 81.7 73.0 -68.6 -16.2 -6.7 20.2 13.7 96 104 A E G <4 S+ 0 0 141 -3,-1.5 -1,-0.2 -4,-0.2 3,-0.2 0.863 115.4 19.4 -68.6 -33.4 -5.6 17.9 16.5 97 105 A K T <4 S+ 0 0 100 -3,-0.8 2,-0.4 -4,-0.4 -2,-0.2 0.625 132.3 45.8-108.4 -11.2 -3.0 20.4 17.8 98 106 A L < + 0 0 3 -4,-1.7 3,-0.3 1,-0.1 -1,-0.2 -0.790 61.4 143.4-132.4 82.2 -4.5 23.6 16.1 99 107 A W + 0 0 202 -2,-0.4 -1,-0.1 -3,-0.2 -4,-0.1 0.378 51.2 85.5-102.5 2.5 -8.2 23.5 16.7 100 108 A G S S- 0 0 48 2,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.317 108.5 -99.6 -91.4 11.0 -8.6 27.3 17.2 101 109 A G S S+ 0 0 63 -3,-0.3 2,-0.4 1,-0.2 -2,-0.1 0.534 90.7 105.5 85.9 8.9 -9.0 28.3 13.6 102 110 A N + 0 0 76 1,-0.1 -2,-0.3 -18,-0.0 -1,-0.2 -0.976 32.6 168.1-130.0 126.9 -5.4 29.4 13.1 103 111 A L S S+ 0 0 2 -2,-0.4 -82,-2.4 -23,-0.1 2,-0.3 0.747 72.5 56.5 -93.8 -32.8 -2.4 27.7 11.4 104 112 A W B S-K 20 0C 17 -84,-0.3 -84,-0.3 -24,-0.1 -1,-0.1 -0.731 84.3-112.6-111.9 149.9 -0.2 30.8 11.5 105 113 A N - 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