==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 10-AUG-92 1DNK . COMPND 2 MOLECULE: DNA (5'-D(*GP*GP*TP*AP*TP*AP*C)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.A.WESTON,A.LAHM,D.SUCK . 250 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 21.2 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 . 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 . 1 0.4 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 . 23 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 2 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 3 2 0 2 0 3 1 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 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 1 A L 0 0 19 0, 0.0 249,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 119.1 -18.5 14.7 -15.4 2 2 A K E -A 249 0A 73 247,-0.2 31,-2.3 29,-0.1 32,-1.1 -0.894 360.0-173.9-103.2 128.4 -18.6 17.8 -13.1 3 3 A I E -Ab 248 34A 0 245,-1.9 245,-2.0 -2,-0.5 2,-0.3 -0.941 3.0-179.6-121.6 142.4 -18.9 21.2 -14.7 4 4 A A E -Ab 247 35A 0 30,-1.4 32,-2.8 -2,-0.4 2,-0.5 -0.969 20.7-153.6-140.6 149.0 -18.8 24.6 -12.9 5 5 A A E -Ab 246 36A 0 241,-2.2 241,-2.1 -2,-0.3 2,-0.4 -0.995 24.6-173.9-117.8 127.1 -19.1 28.2 -13.9 6 6 A F E - b 0 37A 0 30,-3.6 32,-2.4 -2,-0.5 2,-0.8 -0.973 21.3-157.9-131.7 120.4 -17.3 30.5 -11.4 7 7 A N E - b 0 38A 0 -2,-0.4 2,-0.7 30,-0.2 236,-0.4 -0.860 16.5-167.3 -91.4 113.5 -17.2 34.3 -11.3 8 8 A I E > - 0 0 0 30,-2.0 3,-1.5 -2,-0.8 233,-0.2 -0.921 32.0-113.1-103.2 108.2 -14.0 35.0 -9.3 9 9 A R E 3 S- 0 0 88 -2,-0.7 30,-0.1 1,-0.3 31,-0.0 -0.232 86.4 -25.1 -45.2 120.6 -14.1 38.7 -8.4 10 10 A T E 3 S- 0 0 56 1,-0.2 5,-0.3 30,-0.0 -1,-0.3 0.776 76.4-161.7 37.7 56.7 -11.3 40.3 -10.4 11 11 A F E < + b 0 40A 0 28,-1.7 30,-2.6 -3,-1.5 2,-0.3 -0.463 38.6 124.7 -61.3 131.1 -9.1 37.2 -10.8 12 12 A G S > S- 0 0 7 28,-0.2 4,-2.1 -2,-0.1 5,-0.2 -0.899 76.1 -61.2-168.4-170.2 -5.7 38.8 -11.7 13 13 A E H > S+ 0 0 91 28,-0.3 4,-1.0 -2,-0.3 29,-0.1 0.765 126.0 55.0 -60.9 -35.3 -2.0 38.9 -10.6 14 14 A T H > S+ 0 0 124 2,-0.2 4,-0.8 1,-0.2 3,-0.2 0.932 110.3 43.7 -66.5 -49.3 -2.8 40.3 -7.1 15 15 A K H >4 S+ 0 0 27 -5,-0.3 3,-0.8 1,-0.2 7,-0.4 0.909 115.3 47.9 -65.2 -44.5 -5.2 37.6 -6.2 16 16 A M H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.675 102.7 67.0 -70.4 -19.0 -3.0 34.8 -7.5 17 17 A S H 3< S+ 0 0 74 -4,-1.0 2,-0.8 -3,-0.2 -1,-0.2 0.753 81.6 81.1 -65.6 -39.0 -0.0 36.4 -5.6 18 18 A N S S+ 0 0 68 -2,-0.8 4,-1.0 1,-0.2 -1,-0.1 0.667 93.5 52.7 -53.0 -23.4 -0.6 32.0 -1.6 20 20 A T H > S+ 0 0 78 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.947 110.6 42.2 -78.0 -57.5 -3.6 31.6 0.6 21 21 A L H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.939 116.4 52.1 -56.2 -46.3 -6.2 32.9 -1.8 22 22 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 -7,-0.4 -1,-0.2 0.847 104.5 56.3 -57.0 -38.0 -4.4 30.9 -4.5 23 23 A S H X S+ 0 0 63 -4,-1.0 4,-1.2 -5,-0.3 -1,-0.2 0.883 111.5 42.9 -59.3 -45.4 -4.6 27.8 -2.4 24 24 A Y H X S+ 0 0 55 -4,-1.8 4,-2.6 -3,-0.4 3,-0.4 0.948 111.5 51.5 -67.0 -55.4 -8.3 28.1 -2.2 25 25 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.3 3,-0.3 0.927 112.4 49.2 -46.8 -51.1 -9.0 29.0 -5.8 26 26 A V H X S+ 0 0 18 -4,-2.5 4,-1.5 1,-0.3 -1,-0.3 0.819 109.4 51.4 -57.1 -40.9 -6.9 25.9 -6.8 27 27 A R H < S+ 0 0 137 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.854 110.1 49.3 -66.9 -39.9 -8.8 23.7 -4.5 28 28 A I H >< S+ 0 0 0 -4,-2.6 3,-1.6 -3,-0.3 4,-0.4 0.945 109.5 50.4 -66.1 -50.0 -12.1 24.8 -5.9 29 29 A V H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.815 101.1 64.4 -57.0 -36.2 -11.1 24.3 -9.6 30 30 A R T 3< S+ 0 0 107 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.536 86.4 70.5 -68.9 -9.8 -9.8 20.8 -8.8 31 31 A R T < S+ 0 0 98 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.2 0.788 97.7 73.9 -75.3 -27.2 -13.4 19.7 -7.9 32 32 A Y < - 0 0 0 -3,-1.6 3,-0.2 -4,-0.4 -29,-0.2 -0.558 58.5-161.1-105.9 158.0 -14.1 20.0 -11.6 33 33 A D S S+ 0 0 24 -31,-2.3 52,-2.3 1,-0.4 2,-0.3 0.673 97.7 13.7 -93.6 -31.3 -13.6 18.4 -15.0 34 34 A I E S+bC 3 84A 0 -32,-1.1 -30,-1.4 50,-0.2 -1,-0.4 -0.918 74.2 179.8-144.5 130.2 -14.5 21.6 -16.9 35 35 A V E -bC 4 83A 0 48,-2.1 48,-2.6 -2,-0.3 2,-0.5 -0.992 18.9-149.5-138.9 131.5 -14.7 25.0 -15.2 36 36 A L E -bC 5 82A 0 -32,-2.8 -30,-3.6 -2,-0.4 2,-0.5 -0.890 16.1-163.3 -93.5 124.8 -15.5 28.3 -16.7 37 37 A I E -bC 6 81A 0 44,-3.5 44,-2.5 -2,-0.5 2,-0.3 -0.950 9.3-169.4-108.8 134.2 -13.8 31.2 -14.8 38 38 A Q E +bC 7 80A 0 -32,-2.4 -30,-2.0 -2,-0.5 -27,-0.3 -0.793 58.2 44.8-120.3 160.9 -15.1 34.7 -15.4 39 39 A E E + 0 0 23 40,-0.5 -28,-1.7 -2,-0.3 2,-0.9 0.908 64.9 166.2 71.5 44.0 -13.8 38.1 -14.5 40 40 A V E -bC 11 79A 1 39,-1.1 39,-1.7 -3,-0.2 2,-0.8 -0.877 13.5-178.5 -90.1 100.8 -10.3 37.4 -15.6 41 41 A R + 0 0 117 -30,-2.6 -28,-0.3 -2,-0.9 2,-0.3 -0.825 34.2 130.6-107.6 78.7 -8.6 40.8 -15.7 42 42 A D > - 0 0 5 -2,-0.8 3,-1.3 -30,-0.1 -30,-0.1 -0.822 32.0-179.0-136.2 84.9 -5.2 39.5 -16.9 43 43 A S T 3 S+ 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 35,-0.0 0.910 89.3 32.6 -48.7 -51.0 -3.9 41.4 -20.0 44 44 A H T 3 S- 0 0 142 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.054 105.3-116.1 -96.9 16.9 -0.8 39.2 -20.1 45 45 A L S <> S+ 0 0 54 -3,-1.3 4,-1.6 1,-0.1 5,-0.1 0.753 74.2 134.5 49.5 24.0 -2.1 35.8 -18.9 46 46 A V H > S+ 0 0 67 2,-0.2 4,-1.9 3,-0.2 -1,-0.1 0.940 73.7 39.1 -69.6 -44.1 0.3 36.3 -16.0 47 47 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.901 114.3 53.9 -69.7 -43.3 -2.3 35.2 -13.4 48 48 A V H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.857 108.5 51.8 -57.9 -38.9 -3.7 32.4 -15.6 49 49 A G H X S+ 0 0 27 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.937 106.4 52.2 -64.8 -49.1 -0.1 31.1 -15.9 50 50 A K H X S+ 0 0 84 -4,-1.9 4,-1.9 1,-0.2 3,-0.4 0.978 110.6 49.6 -50.5 -51.7 0.2 31.1 -12.1 51 51 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 3,-0.2 0.898 110.9 47.7 -51.9 -51.9 -3.0 29.1 -11.9 52 52 A L H X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.792 105.7 59.1 -63.9 -29.8 -1.9 26.5 -14.5 53 53 A D H < S+ 0 0 123 -4,-2.6 -1,-0.2 -3,-0.4 -2,-0.2 0.925 111.7 41.6 -65.1 -41.6 1.5 26.2 -12.8 54 54 A Y H >< S+ 0 0 67 -4,-1.9 3,-1.3 -3,-0.2 4,-0.3 0.889 114.3 49.3 -67.3 -49.3 -0.3 25.1 -9.6 55 55 A L H 3< S+ 0 0 6 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.833 119.6 39.3 -58.8 -37.4 -2.8 22.9 -11.3 56 56 A N T 3< S+ 0 0 30 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.002 78.5 108.9-105.3 25.7 -0.1 21.1 -13.3 57 57 A Q S < S+ 0 0 145 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.877 89.6 38.8 -71.3 -30.9 2.6 20.9 -10.6 58 58 A D S S+ 0 0 160 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.622 138.1 0.1 -88.5 -18.3 2.1 17.1 -10.4 59 59 A D > - 0 0 76 -4,-0.1 3,-0.9 4,-0.0 -1,-0.3 -0.799 61.3-134.9-170.3 135.3 1.5 16.6 -14.1 60 60 A P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.380 103.9 51.4 -76.2 -3.5 1.5 19.0 -17.1 61 61 A N T 3 S+ 0 0 89 1,-0.1 26,-0.2 3,-0.0 3,-0.2 -0.156 72.6 100.0-127.2 38.3 -1.6 17.4 -18.5 62 62 A T S < S+ 0 0 22 -3,-0.9 2,-0.4 1,-0.3 25,-0.3 0.864 98.8 16.6 -82.3 -41.6 -4.0 17.5 -15.5 63 63 A Y + 0 0 1 -4,-0.3 -1,-0.3 22,-0.2 22,-0.2 -0.984 59.8 179.4-139.7 133.9 -5.5 20.6 -17.1 64 64 A H E -D 84 0A 72 20,-2.6 20,-2.6 -2,-0.4 2,-0.3 -0.648 21.1-156.1-113.4 168.5 -5.5 22.4 -20.5 65 65 A Y E -D 83 0A 91 18,-0.2 2,-0.4 -2,-0.2 18,-0.2 -0.952 20.4-152.5-145.5 166.7 -7.4 25.7 -21.1 66 66 A V E -D 82 0A 33 16,-2.3 16,-3.5 -2,-0.3 2,-0.3 -0.958 23.3-176.6-134.3 134.5 -9.0 27.9 -23.7 67 67 A V E -D 81 0A 36 -2,-0.4 14,-0.2 14,-0.2 2,-0.2 -0.919 15.3-139.7-135.3 149.5 -9.1 31.6 -23.0 68 68 A S - 0 0 15 12,-1.7 3,-0.1 -2,-0.3 37,-0.0 -0.566 33.9 -88.1-102.4 169.4 -10.8 34.3 -25.0 69 69 A E - 0 0 127 -2,-0.2 11,-0.3 1,-0.1 2,-0.2 -0.300 61.1 -76.1 -70.3 169.9 -9.3 37.7 -25.7 70 70 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 9,-0.3 -0.540 56.6-153.3 -66.2 126.2 -10.1 40.5 -23.2 71 71 A L B +F 78 0B 12 7,-3.7 7,-2.0 -2,-0.2 2,-0.2 -0.916 36.2 111.1-110.2 137.6 -13.7 41.5 -24.0 72 72 A G - 0 0 20 -2,-0.4 30,-0.1 5,-0.2 5,-0.1 -0.777 60.6-122.2 165.8 151.5 -15.1 45.0 -23.4 73 73 A R S S+ 0 0 147 -2,-0.2 -1,-0.1 3,-0.0 2,-0.1 0.843 95.1 5.2 -78.7 -36.1 -16.4 48.1 -25.1 74 74 A N S S- 0 0 135 2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.107 117.2 -43.4-122.2-142.9 -13.9 50.6 -23.4 75 75 A S S S+ 0 0 121 -2,-0.1 2,-0.2 2,-0.0 0, 0.0 0.828 109.0 87.9 -62.2 -37.4 -10.9 50.3 -21.1 76 76 A Y + 0 0 86 -6,-0.0 -2,-0.4 -35,-0.0 2,-0.3 -0.493 61.2 175.7 -67.1 128.9 -12.6 47.7 -18.8 77 77 A K - 0 0 76 -2,-0.2 2,-0.3 -5,-0.1 -5,-0.2 -1.000 16.4-176.9-142.1 144.3 -11.9 44.2 -20.1 78 78 A E B -F 71 0B 2 -7,-2.0 -7,-3.7 -2,-0.3 2,-0.3 -0.957 13.1-145.9-138.7 150.2 -12.5 40.6 -19.0 79 79 A R E -C 40 0A 15 -39,-1.7 -39,-1.1 -2,-0.3 -40,-0.5 -0.765 14.2-130.0-111.9 158.5 -11.7 37.2 -20.4 80 80 A Y E -C 38 0A 2 -11,-0.3 -12,-1.7 -2,-0.3 2,-0.5 -0.959 26.6-163.3-111.2 123.3 -13.6 33.9 -20.4 81 81 A L E -CD 37 67A 0 -44,-2.5 -44,-3.5 -2,-0.5 2,-0.6 -0.974 8.6-166.2-116.9 120.3 -11.3 31.1 -19.2 82 82 A F E -CD 36 66A 1 -16,-3.5 -16,-2.3 -2,-0.5 2,-0.3 -0.932 7.0-171.7-104.5 112.3 -12.2 27.4 -19.8 83 83 A L E +CD 35 65A 0 -48,-2.6 -48,-2.1 -2,-0.6 2,-0.3 -0.838 14.9 175.1-100.1 141.6 -10.0 25.0 -17.7 84 84 A F E -CD 34 64A 13 -20,-2.6 -20,-2.6 -2,-0.3 -50,-0.2 -0.995 40.6-116.3-156.0 150.8 -10.5 21.3 -18.5 85 85 A R >> - 0 0 37 -52,-2.3 3,-3.4 -2,-0.3 4,-1.3 -0.770 26.8-156.4 -85.9 96.1 -9.2 17.8 -17.7 86 86 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -23,-0.1 0.650 89.7 62.7 -49.4 -24.8 -7.8 16.8 -21.1 87 87 A N T 34 S+ 0 0 104 -25,-0.3 3,-0.1 -26,-0.2 -24,-0.1 0.514 109.9 37.0 -82.9 -8.9 -8.2 13.2 -20.0 88 88 A K T <4 S+ 0 0 82 -3,-3.4 24,-0.5 1,-0.3 25,-0.5 0.482 127.7 6.9-110.0 -17.7 -12.0 13.5 -19.7 89 89 A V E < -G 111 0C 5 -4,-1.3 2,-0.3 22,-0.2 -1,-0.3 -0.988 55.6-152.7-159.9 161.0 -12.7 15.8 -22.6 90 90 A S E -G 110 0C 55 20,-1.2 20,-2.3 -2,-0.3 2,-0.2 -0.975 27.3-112.0-142.3 149.6 -11.3 17.6 -25.7 91 91 A V E -G 109 0C 46 -2,-0.3 18,-0.2 18,-0.2 3,-0.1 -0.481 25.1-178.8 -77.5 145.4 -12.2 20.9 -27.6 92 92 A L E S- 0 0 70 16,-2.3 2,-0.2 1,-0.6 17,-0.2 0.558 70.2 -24.2-118.8 -18.1 -13.5 20.2 -31.1 93 93 A D E -G 108 0C 72 15,-0.9 15,-2.8 2,-0.0 -1,-0.6 -0.847 57.1-161.0 175.6 162.6 -13.9 23.9 -31.9 94 94 A T E +G 107 0C 61 -2,-0.2 2,-0.3 13,-0.2 13,-0.2 -0.928 10.7 174.6-152.0 159.5 -14.3 27.3 -30.3 95 95 A Y E -G 106 0C 36 11,-1.7 11,-3.0 -2,-0.3 2,-0.6 -0.914 33.4-119.0-169.2 155.8 -15.6 30.7 -31.5 96 96 A Q E G 105 0C 70 -2,-0.3 9,-0.3 9,-0.2 7,-0.1 -0.918 360.0 360.0 -96.5 115.3 -16.4 34.2 -30.1 97 97 A Y 0 0 89 7,-3.9 44,-0.0 -2,-0.6 6,-0.0 -0.401 360.0 360.0 -54.5 360.0 -20.1 34.8 -30.9 98 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 99 108 A S 0 0 106 0, 0.0 2,-0.4 0, 0.0 38,-0.2 0.000 360.0 360.0 360.0 -26.1 -25.8 43.4 -28.1 100 109 A F - 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