==== 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 HYDROLASE/DNA 17-NOV-93 1BRN . COMPND 2 MOLECULE: DNA (5'-D(*CP*GP*AP*C)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.M.BUCKLE,A.R.FERSHT . 216 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 50.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 18.5 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 0.9 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 L V 0 0 139 0, 0.0 2,-0.5 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 135.0 25.2 12.5 -1.1 2 4 L I + 0 0 39 1,-0.1 19,-0.2 5,-0.0 0, 0.0 -0.979 360.0 136.8-130.9 114.8 21.5 13.3 -0.5 3 5 L N + 0 0 31 -2,-0.5 72,-3.3 71,-0.0 73,-0.3 0.142 33.5 109.6-146.8 23.5 20.7 15.6 2.3 4 6 L T S > S- 0 0 68 70,-0.2 4,-2.9 71,-0.1 5,-0.3 -0.666 76.0-110.3 -98.3 160.1 18.0 18.0 1.1 5 7 L F H > S+ 0 0 27 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.914 117.1 37.4 -54.2 -55.2 14.4 17.9 2.4 6 8 L D H > S+ 0 0 96 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.871 116.3 53.2 -65.2 -42.0 12.8 16.7 -0.8 7 9 L G H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.919 115.9 38.5 -59.1 -49.6 15.7 14.4 -1.7 8 10 L V H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.878 114.9 53.7 -71.8 -39.9 15.7 12.7 1.7 9 11 L A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.900 111.9 46.1 -60.0 -41.9 11.8 12.6 1.9 10 12 L D H X S+ 0 0 81 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.933 113.5 47.8 -66.5 -46.2 11.7 10.9 -1.6 11 13 L Y H X S+ 0 0 58 -4,-2.1 4,-3.2 1,-0.2 5,-0.4 0.926 112.6 49.6 -60.1 -46.7 14.4 8.4 -0.6 12 14 L L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.901 111.6 48.3 -60.2 -44.6 12.7 7.6 2.7 13 15 L Q H < S+ 0 0 66 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.902 118.4 40.8 -63.0 -42.4 9.3 7.1 0.9 14 16 L T H < S+ 0 0 95 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.939 132.1 18.9 -71.9 -50.7 10.9 4.8 -1.8 15 17 L Y H < S- 0 0 139 -4,-3.2 -3,-0.2 2,-0.3 -2,-0.2 0.534 88.1-131.4-105.5 -5.1 13.2 2.7 0.3 16 18 L H S < S+ 0 0 98 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.2 0.818 79.9 77.2 57.7 37.6 12.0 3.1 3.9 17 19 L K S S- 0 0 108 -6,-0.3 -2,-0.3 -5,-0.0 -1,-0.2 -0.942 88.6 -93.3-162.6 163.3 15.5 3.9 5.2 18 20 L L - 0 0 28 -2,-0.3 4,-0.1 1,-0.1 -10,-0.0 -0.577 51.0 -98.7 -83.0 151.7 17.9 6.8 5.2 19 21 L P > - 0 0 6 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.189 43.2 -93.2 -66.1 161.5 20.4 7.1 2.3 20 22 L D T 3 S+ 0 0 96 1,-0.3 -2,-0.1 27,-0.0 27,-0.0 0.609 114.8 73.6 -51.1 -22.1 24.0 5.8 2.9 21 23 L N T 3 S+ 0 0 15 -19,-0.2 27,-2.5 26,-0.1 2,-0.4 0.351 81.1 93.2 -81.1 9.4 25.4 9.2 3.9 22 24 L Y E < +a 48 0A 20 -3,-1.5 2,-0.3 25,-0.2 27,-0.2 -0.830 47.6 176.3-106.4 137.7 23.7 9.1 7.3 23 25 L I E -a 49 0A 21 25,-2.5 27,-2.3 -2,-0.4 -2,-0.0 -0.976 30.0-113.5-133.6 148.4 25.2 7.8 10.5 24 26 L T > - 0 0 32 -2,-0.3 4,-2.8 25,-0.2 5,-0.2 -0.223 33.0-104.4 -73.2 169.7 23.6 7.7 14.0 25 27 L K H > S+ 0 0 76 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.910 123.4 52.0 -60.7 -43.6 25.0 9.8 16.9 26 28 L S H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 111.1 47.0 -59.5 -40.9 26.5 6.6 18.4 27 29 L E H > S+ 0 0 100 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.927 113.5 48.3 -67.3 -44.9 28.2 5.8 15.1 28 30 L A H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-0.4 0.910 111.3 50.4 -61.0 -44.3 29.4 9.4 14.8 29 31 L Q H ><5S+ 0 0 113 -4,-3.2 3,-1.1 1,-0.3 -1,-0.2 0.844 106.4 55.5 -61.6 -36.3 30.7 9.4 18.4 30 32 L A H 3<5S+ 0 0 85 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.796 104.8 54.5 -66.0 -30.4 32.5 6.1 17.6 31 33 L L T 3<5S- 0 0 96 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.515 130.7 -91.6 -82.1 -7.5 34.3 7.8 14.8 32 34 L G T < 5S+ 0 0 35 -3,-1.1 2,-0.2 -4,-0.4 -3,-0.2 0.504 70.0 156.6 109.1 9.9 35.6 10.6 17.0 33 35 L W < - 0 0 17 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.3 -0.511 19.0-172.1 -70.1 132.0 32.8 13.2 16.7 34 36 L V >>> - 0 0 70 -2,-0.2 3,-2.3 1,-0.2 5,-0.8 -0.976 16.8-149.1-129.1 109.6 32.6 15.6 19.6 35 37 L A G >45S+ 0 0 59 -2,-0.5 3,-1.8 1,-0.3 -1,-0.2 0.883 97.1 52.2 -42.2 -56.7 29.6 17.9 19.6 36 38 L S G 345S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.1 44,-0.1 0.611 110.2 51.9 -60.4 -11.4 31.4 20.8 21.3 37 39 L K G <45S- 0 0 71 -3,-2.3 -1,-0.3 42,-0.1 -2,-0.2 0.554 93.2-142.5-101.0 -11.0 34.1 20.6 18.7 38 40 L G T <<5 + 0 0 12 -3,-1.8 41,-0.4 -4,-0.7 3,-0.3 0.811 54.1 139.0 51.9 38.1 31.9 20.7 15.6 39 41 L N >>< + 0 0 35 -5,-0.8 4,-2.0 1,-0.2 3,-1.6 0.215 17.9 117.1 -97.1 14.5 34.3 18.2 14.0 40 42 L L H 3> S+ 0 0 0 39,-0.3 4,-2.9 1,-0.3 3,-0.3 0.890 76.0 51.2 -49.1 -51.9 31.8 15.9 12.2 41 43 L A H 34 S+ 0 0 29 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.677 111.9 49.3 -62.7 -16.1 33.0 16.7 8.7 42 44 L D H <4 S+ 0 0 86 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.826 117.7 36.5 -91.7 -34.1 36.6 16.0 9.8 43 45 L V H < S+ 0 0 40 -4,-2.0 -2,-0.2 -3,-0.3 -3,-0.2 0.727 134.5 24.3 -86.3 -25.9 35.9 12.6 11.5 44 46 L A S >< S- 0 0 5 -4,-2.9 3,-2.1 -5,-0.3 -1,-0.2 -0.593 82.2-152.5-141.0 75.1 33.2 11.5 8.9 45 47 L P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.234 79.9 3.5 -54.3 127.6 33.6 13.3 5.6 46 48 L G T 3 S+ 0 0 55 31,-0.3 2,-0.3 1,-0.3 -5,-0.1 0.522 104.0 123.3 73.2 11.4 30.4 13.6 3.6 47 49 L K < - 0 0 38 -3,-2.1 2,-0.3 -7,-0.2 -1,-0.3 -0.700 43.1-161.0-103.7 153.4 28.3 12.1 6.4 48 50 L S E -a 22 0A 2 -27,-2.5 -25,-2.5 -2,-0.3 2,-0.3 -0.942 27.7-108.0-130.1 151.3 25.4 13.6 8.3 49 51 L I E +a 23 0A 0 -2,-0.3 24,-2.8 -27,-0.2 2,-0.3 -0.638 58.2 135.5 -78.0 134.9 23.9 12.6 11.6 50 52 L G E +B 72 0B 2 -27,-2.3 22,-0.3 -2,-0.3 -32,-0.0 -0.959 28.7 60.0-174.7 156.2 20.5 10.8 11.3 51 53 L G E + 0 0 12 20,-1.8 21,-0.2 1,-0.3 2,-0.1 0.403 63.7 133.0 101.7 -1.7 18.4 7.9 12.4 52 54 L D E -B 71 0B 38 19,-0.8 19,-2.2 1,-0.1 -1,-0.3 -0.452 62.4 -90.6 -84.4 156.2 18.0 8.6 16.1 53 55 L I E -B 70 0B 83 17,-0.2 2,-0.5 -2,-0.1 17,-0.3 -0.349 28.1-155.6 -67.0 137.3 14.8 8.5 18.1 54 56 L F E -B 69 0B 22 15,-2.9 15,-0.6 1,-0.1 -1,-0.0 -0.985 4.9-157.4-110.5 116.1 12.7 11.6 18.5 55 57 L S - 0 0 77 -2,-0.5 -1,-0.1 13,-0.1 15,-0.0 0.633 15.0-145.0 -75.3 -13.8 10.6 11.2 21.6 56 58 L N > + 0 0 24 1,-0.1 3,-1.5 2,-0.1 5,-0.1 0.848 36.8 162.1 53.6 36.3 7.9 13.8 20.6 57 59 L R T 3 + 0 0 208 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.815 69.7 54.4 -57.1 -31.9 7.6 14.8 24.3 58 60 L E T 3 S- 0 0 110 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.621 104.9-131.1 -77.6 -15.9 5.8 18.1 23.3 59 61 L G < + 0 0 51 -3,-1.5 4,-0.1 1,-0.1 -2,-0.1 0.720 63.8 137.2 70.3 25.5 3.3 16.2 21.3 60 62 L K + 0 0 54 41,-0.1 44,-0.1 2,-0.1 -1,-0.1 0.735 59.8 60.7 -74.5 -23.9 3.7 18.4 18.3 61 63 L L S S- 0 0 5 -5,-0.1 2,-0.1 1,-0.1 8,-0.0 -0.775 106.1 -85.4-104.1 153.0 3.7 15.5 15.9 62 64 L P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.328 50.8-155.9 -55.1 126.1 0.8 13.0 15.5 63 65 L G + 0 0 61 -4,-0.1 2,-0.3 -2,-0.1 5,-0.1 -0.823 22.0 162.0-112.5 152.5 1.0 10.3 18.2 64 66 L K > - 0 0 55 -2,-0.3 3,-2.5 3,-0.2 0, 0.0 -0.921 49.4 -84.2-163.9 138.1 -0.3 6.8 18.3 65 67 L S T 3 S+ 0 0 133 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.201 115.1 12.9 -47.8 133.1 0.5 3.7 20.4 66 68 L G T 3 S+ 0 0 75 1,-0.3 2,-0.5 24,-0.0 -1,-0.3 0.422 92.5 129.5 77.6 2.6 3.5 1.9 18.9 67 69 L R < - 0 0 53 -3,-2.5 2,-0.4 23,-0.1 -1,-0.3 -0.819 41.4-161.3 -92.7 130.2 4.4 4.6 16.5 68 70 L T - 0 0 62 -2,-0.5 22,-1.9 -3,-0.1 2,-0.4 -0.884 2.3-151.8-111.2 140.4 8.1 5.5 16.7 69 71 L W E -BC 54 89B 8 -15,-0.6 -15,-2.9 -2,-0.4 2,-0.3 -0.935 12.1-176.2-115.0 141.9 9.6 8.8 15.4 70 72 L R E -BC 53 88B 97 18,-2.5 18,-2.4 -2,-0.4 2,-0.3 -0.887 8.6-152.6-130.8 158.3 13.1 9.3 14.2 71 73 L E E -BC 52 87B 13 -19,-2.2 -20,-1.8 -2,-0.3 -19,-0.8 -0.941 7.1-169.3-134.3 156.1 14.9 12.4 13.0 72 74 L A E -BC 50 86B 0 14,-2.0 14,-2.5 -2,-0.3 -22,-0.3 -0.995 29.0-104.0-145.6 143.5 17.8 13.2 10.6 73 75 L D E - C 0 85B 0 -24,-2.8 2,-0.3 -2,-0.3 12,-0.2 -0.335 33.7-163.2 -65.1 143.4 19.9 16.2 9.8 74 76 L I + 0 0 0 10,-1.9 10,-0.4 1,-0.1 -70,-0.2 -0.942 66.7 13.6-127.0 148.1 19.1 18.1 6.6 75 77 L N S S+ 0 0 75 -72,-3.3 2,-0.4 -2,-0.3 -71,-0.1 0.577 82.8 151.5 63.0 15.5 21.4 20.6 4.7 76 78 L Y + 0 0 8 -73,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.648 7.9 143.7 -81.3 130.7 24.5 19.6 6.7 77 79 L T - 0 0 77 -2,-0.4 -31,-0.3 1,-0.4 2,-0.3 0.612 64.5 -14.4-126.7 -55.5 27.8 20.1 5.0 78 80 L S S S+ 0 0 85 2,-0.2 -1,-0.4 -33,-0.1 2,-0.1 -0.976 92.6 15.5-153.9 166.3 30.2 21.2 7.8 79 81 L G S S+ 0 0 31 -41,-0.4 -39,-0.3 -2,-0.3 -38,-0.2 -0.360 100.7 1.4 78.2-156.3 30.9 22.6 11.2 80 82 L F S S- 0 0 42 1,-0.1 -2,-0.2 -2,-0.1 -44,-0.1 -0.338 89.6 -93.2 -68.3 152.7 28.4 22.7 14.0 81 83 L R - 0 0 61 -46,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.305 39.0-137.1 -72.4 154.0 25.0 21.3 13.3 82 84 L N - 0 0 45 -8,-0.2 -1,-0.1 2,-0.2 17,-0.1 0.006 24.4-100.0 -94.8-161.0 22.1 23.4 12.1 83 85 L S S S+ 0 0 28 15,-0.2 17,-2.5 -10,-0.0 2,-0.5 0.361 82.5 107.6-103.4 1.1 18.4 23.7 12.8 84 86 L D + 0 0 30 -10,-0.4 -10,-1.9 15,-0.2 2,-0.3 -0.760 39.4 160.3 -90.2 122.0 17.1 21.6 9.9 85 87 L R E -CD 73 97B 6 12,-2.2 12,-1.2 -2,-0.5 2,-0.4 -0.992 31.7-143.5-143.9 147.8 15.7 18.1 10.5 86 88 L I E -CD 72 96B 0 -14,-2.5 -14,-2.0 -2,-0.3 2,-0.4 -0.886 20.4-154.8-107.0 139.6 13.4 15.7 8.7 87 89 L L E +CD 71 95B 0 8,-3.3 8,-2.8 -2,-0.4 2,-0.4 -0.969 14.7 178.8-117.6 134.9 11.1 13.7 11.0 88 90 L Y E -CD 70 94B 17 -18,-2.4 -18,-2.5 -2,-0.4 6,-0.2 -0.999 14.9-144.8-141.3 140.5 9.8 10.3 10.0 89 91 L S E > -C 69 0B 1 4,-2.1 3,-1.9 -2,-0.4 -20,-0.2 -0.544 32.4-107.9 -98.9 167.2 7.6 7.8 11.7 90 92 L S T 3 S+ 0 0 61 -22,-1.9 -21,-0.1 1,-0.3 -1,-0.1 0.747 124.5 51.1 -61.3 -24.2 7.7 4.0 11.6 91 93 L D T 3 S- 0 0 84 -23,-0.2 -1,-0.3 2,-0.1 -24,-0.0 0.067 124.2-106.4-103.2 23.3 4.5 4.2 9.5 92 94 L W < + 0 0 61 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.685 62.9 153.0 57.3 39.2 6.1 6.7 7.1 93 95 L L - 0 0 42 -31,-0.1 -4,-2.1 14,-0.0 2,-0.5 -0.688 31.7-152.9 -83.2 140.5 4.6 10.0 8.0 94 96 L I E +D 88 0B 0 14,-2.0 13,-2.7 -2,-0.3 14,-1.4 -0.979 19.2 171.0-129.5 126.1 7.2 12.7 7.0 95 97 L Y E -DE 87 106B 33 -8,-2.8 -8,-3.3 -2,-0.5 2,-0.3 -0.837 15.9-153.0-125.9 161.8 7.6 16.1 8.6 96 98 L K E -DE 86 105B 39 9,-2.8 9,-3.2 -2,-0.3 2,-0.3 -0.933 9.1-178.7-131.3 160.1 10.1 18.9 8.4 97 99 L T E -D 85 0B 3 -12,-1.2 -12,-2.2 -2,-0.3 3,-0.2 -0.985 10.8-170.4-159.2 139.0 11.0 21.7 11.0 98 100 L T S S+ 0 0 81 5,-0.3 -15,-0.2 -2,-0.3 -14,-0.2 0.274 81.6 64.9-121.9 7.1 13.7 24.4 10.3 99 101 L D S S- 0 0 30 4,-0.4 3,-0.4 -14,-0.1 -15,-0.2 -0.162 120.6 -89.5-129.9 39.0 13.7 25.7 13.9 100 102 L H S S- 0 0 98 -17,-2.5 -16,-0.1 1,-0.2 -2,-0.0 0.917 88.4 -45.1 53.2 55.0 15.0 22.7 15.8 101 103 L Y S S+ 0 0 31 -18,-0.3 -1,-0.2 2,-0.3 3,-0.1 0.666 109.1 113.1 68.0 22.4 11.7 20.9 16.5 102 104 L Q S S+ 0 0 93 -3,-0.4 2,-0.3 1,-0.3 -2,-0.1 0.886 87.1 11.0 -86.9 -40.6 9.8 24.0 17.6 103 105 L T S S- 0 0 67 2,-0.0 -4,-0.4 86,-0.0 -5,-0.3 -0.965 72.8-157.4-133.7 151.2 7.3 23.9 14.7 104 106 L F - 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