==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 13-AUG-05 2AOQ . COMPND 2 MOLECULE: 5'-D(*GP*CP*AP*TP*GP*AP*TP*CP*AP*TP*GP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.Y.LEE,J.CHANG,N.JOSEPH,R.GHIRLANDO,D.N.RAO,W.YANG . 220 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 1 0 1 1 1 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 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 PARALLEL BRIDGES PER LADDER . 4 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 M 0 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.0 99.8 58.3 -0.2 2 10 A I - 0 0 90 1,-0.1 50,-0.2 2,-0.0 51,-0.1 -0.687 360.0-117.9 -81.5 122.3 97.2 58.1 -3.0 3 11 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.264 16.3-156.4 -60.1 146.9 96.0 54.5 -3.5 4 12 A Q S S+ 0 0 136 1,-0.1 2,-0.3 62,-0.0 3,-0.1 0.661 73.8 24.0 -96.9 -19.8 96.7 53.0 -6.9 5 13 A T S > S- 0 0 67 1,-0.1 4,-1.9 61,-0.0 3,-0.2 -0.915 80.5-108.8-140.8 165.6 93.9 50.4 -6.8 6 14 A L H > S+ 0 0 58 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.909 119.4 58.0 -61.2 -40.1 90.5 49.8 -5.1 7 15 A E H > S+ 0 0 157 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.873 106.2 47.9 -57.0 -40.0 92.2 47.1 -3.0 8 16 A Q H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 112.7 48.1 -70.0 -40.2 94.7 49.6 -1.7 9 17 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.913 112.6 47.5 -66.8 -44.3 92.0 52.1 -0.8 10 18 A L H X S+ 0 0 54 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.821 112.0 52.3 -66.6 -30.3 89.8 49.5 0.9 11 19 A S H X S+ 0 0 78 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.920 109.1 47.4 -71.5 -44.5 92.8 48.3 2.8 12 20 A Q H X S+ 0 0 88 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.842 112.8 50.5 -64.1 -35.2 93.8 51.8 4.0 13 21 A A H >X S+ 0 0 0 -4,-2.0 3,-1.0 2,-0.2 4,-0.7 0.941 108.6 50.0 -68.6 -47.4 90.2 52.4 5.1 14 22 A Q H >< S+ 0 0 111 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.825 106.1 60.8 -59.2 -29.4 90.0 49.1 7.0 15 23 A S H 3< S+ 0 0 72 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.812 107.7 40.7 -68.5 -31.3 93.2 50.3 8.6 16 24 A I H X< S+ 0 0 6 -3,-1.0 3,-1.5 -4,-0.9 2,-0.4 0.422 86.6 115.8 -97.1 -0.1 91.7 53.4 10.1 17 25 A A T << S+ 0 0 25 -4,-0.7 114,-0.2 -3,-0.5 115,-0.1 -0.586 80.7 22.5 -71.9 121.8 88.4 51.7 11.2 18 26 A G T 3 S+ 0 0 46 112,-2.5 -1,-0.2 1,-0.5 113,-0.1 0.193 94.1 119.9 106.4 -15.4 88.2 51.8 15.0 19 27 A L < - 0 0 43 -3,-1.5 111,-2.2 112,-0.1 -1,-0.5 -0.429 64.0-120.5 -77.4 159.0 90.5 54.7 15.4 20 28 A T B > -A 129 0A 25 109,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.662 22.6-113.6 -95.5 157.8 89.2 57.8 17.1 21 29 A F H > S+ 0 0 0 107,-2.0 4,-3.7 104,-0.4 5,-0.3 0.921 119.3 55.3 -55.2 -42.6 89.1 61.2 15.3 22 30 A G H > S+ 0 0 0 104,-1.8 4,-2.6 106,-0.2 5,-0.3 0.914 107.2 46.5 -57.0 -48.4 91.7 62.3 17.9 23 31 A E H > S+ 0 0 101 103,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.913 118.0 43.2 -61.0 -44.0 94.1 59.5 17.2 24 32 A L H X S+ 0 0 3 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.948 113.9 50.0 -68.9 -47.7 93.8 60.1 13.5 25 33 A A H >X>S+ 0 0 0 -4,-3.7 5,-2.7 -5,-0.2 3,-0.7 0.930 112.7 46.7 -56.0 -50.0 94.0 63.8 13.7 26 34 A D H ><5S+ 0 0 81 -4,-2.6 3,-1.3 -5,-0.3 -1,-0.2 0.921 109.2 55.0 -59.4 -44.0 97.1 63.8 15.9 27 35 A E H 3<5S+ 0 0 135 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 115.2 39.6 -60.7 -25.5 98.7 61.3 13.6 28 36 A L H <<5S- 0 0 39 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.364 112.5-117.8-105.3 1.8 98.2 63.6 10.7 29 37 A H T <<5 + 0 0 169 -3,-1.3 -3,-0.2 -4,-0.6 -4,-0.1 0.922 63.9 147.0 60.9 46.2 99.0 66.8 12.6 30 38 A I < - 0 0 22 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.2 -0.963 49.9-120.6-115.4 124.4 95.5 68.2 12.1 31 39 A P - 0 0 114 0, 0.0 -5,-0.0 0, 0.0 -9,-0.0 -0.417 22.1-138.6 -67.1 134.0 94.0 70.4 14.8 32 40 A V - 0 0 39 -2,-0.2 94,-0.1 -10,-0.1 -10,-0.0 -0.832 13.5-141.5 -96.9 123.1 90.8 69.0 16.4 33 41 A P - 0 0 30 0, 0.0 93,-0.1 0, 0.0 3,-0.1 -0.231 24.3-111.0 -74.1 170.1 88.0 71.6 17.1 34 42 A I S S- 0 0 150 1,-0.1 91,-0.6 91,-0.1 2,-0.3 0.852 91.1 -15.7 -72.7 -33.8 85.8 71.4 20.2 35 43 A D - 0 0 52 89,-0.1 3,-0.3 90,-0.1 -1,-0.1 -0.894 68.1-102.7-154.3-177.4 82.7 70.5 18.2 36 44 A L S > S+ 0 0 43 -2,-0.3 3,-1.6 1,-0.2 6,-0.1 0.447 84.8 104.4 -97.0 -0.0 81.3 70.6 14.7 37 45 A K T 3 S+ 0 0 169 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.819 101.4 18.6 -49.8 -37.4 79.1 73.7 15.0 38 46 A R T 3 S+ 0 0 230 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.025 127.7 52.0-125.4 27.6 81.6 75.8 13.0 39 47 A D X + 0 0 74 -3,-1.6 3,-2.2 -6,-0.0 4,-0.3 -0.262 63.2 157.7-153.1 48.2 83.6 73.0 11.3 40 48 A K T 3 S+ 0 0 180 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.772 74.4 43.1 -52.0 -34.1 80.8 71.0 9.8 41 49 A G T 3> S+ 0 0 48 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.286 83.0 106.8 -98.5 13.0 82.9 69.4 7.1 42 50 A W H <> S+ 0 0 24 -3,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.909 78.6 46.8 -57.4 -49.3 85.9 68.6 9.4 43 51 A V H > S+ 0 0 7 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.907 111.2 54.1 -63.3 -37.5 85.3 64.8 9.6 44 52 A G H > S+ 0 0 23 -4,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.954 111.8 43.4 -59.3 -47.6 84.9 64.7 5.9 45 53 A M H X S+ 0 0 100 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.859 107.6 60.3 -66.9 -34.8 88.2 66.4 5.3 46 54 A L H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.930 108.8 44.1 -58.0 -45.8 89.9 64.3 8.0 47 55 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.863 107.6 58.4 -69.3 -36.3 89.0 61.2 6.0 48 56 A E H X>S+ 0 0 25 -4,-1.9 5,-2.7 1,-0.2 4,-0.8 0.953 110.9 42.9 -59.0 -45.4 90.1 62.7 2.7 49 57 A R H <5S+ 0 0 152 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.871 112.8 53.1 -67.6 -36.4 93.5 63.3 4.0 50 58 A A H <5S+ 0 0 13 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.785 117.2 36.6 -71.4 -26.1 93.7 59.9 5.7 51 59 A L H <5S- 0 0 2 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.421 111.5-111.5-108.1 3.8 92.8 58.1 2.5 52 60 A G T <5 + 0 0 17 -4,-0.8 -3,-0.2 -3,-0.4 2,-0.1 0.867 60.4 158.5 72.0 37.7 94.6 60.2 -0.0 53 61 A A < - 0 0 16 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.448 52.0 -82.3 -90.0 165.2 91.6 61.7 -1.7 54 62 A T - 0 0 56 8,-1.4 -1,-0.1 -2,-0.1 2,-0.1 -0.526 50.6-160.8 -68.9 124.8 91.3 64.9 -3.8 55 63 A A > + 0 0 60 -2,-0.3 3,-1.0 -7,-0.1 -1,-0.1 -0.114 48.6 36.5 -91.1-167.0 91.0 67.9 -1.4 56 64 A G T 3 S- 0 0 57 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 -0.034 115.2 -44.8 58.4-161.2 89.7 71.3 -2.2 57 65 A S T 3 S+ 0 0 128 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.091 77.7 155.2 -93.2 22.7 86.9 72.1 -4.6 58 66 A K < - 0 0 59 -3,-1.0 3,-0.3 1,-0.1 -4,-0.0 -0.336 57.1 -93.6 -53.4 122.3 88.2 69.7 -7.3 59 67 A A S S- 0 0 99 1,-0.2 2,-0.8 -2,-0.1 -1,-0.1 -0.145 72.6 -41.5 -54.0 124.0 85.1 68.8 -9.2 60 68 A E S S+ 0 0 29 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.181 107.8 79.9 44.7 -2.8 83.0 65.7 -8.4 61 69 A Q > - 0 0 30 -2,-0.8 3,-0.8 -3,-0.3 8,-0.1 -0.775 39.1-178.2-150.9 115.4 85.6 63.0 -7.7 62 70 A D T 3 S+ 0 0 15 -2,-0.3 -8,-1.4 1,-0.3 2,-0.2 0.835 98.7 23.1 -59.8 -41.7 87.8 62.0 -4.8 63 71 A F B >>> +B 68 0B 1 5,-1.9 4,-3.0 -10,-0.2 3,-1.9 -0.585 69.7 166.8-130.7 70.4 89.5 59.1 -6.7 64 72 A S T <45S+ 0 0 84 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.827 78.8 56.0 -53.3 -36.6 89.0 60.0 -10.4 65 73 A H T 345S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.682 119.5 32.8 -72.1 -16.3 91.6 57.3 -11.4 66 74 A L T <45S- 0 0 48 -3,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.599 104.0-127.6-108.8 -22.3 89.4 54.8 -9.5 67 75 A G T <5 + 0 0 23 -4,-3.0 2,-0.4 1,-0.3 -3,-0.2 0.847 61.2 140.9 75.5 33.3 86.1 56.3 -10.1 68 76 A V B < -B 63 0B 3 -5,-1.6 -5,-1.9 42,-0.0 2,-0.5 -0.924 41.4-154.5-115.6 139.0 85.3 56.3 -6.5 69 77 A E E -c 112 0C 16 42,-2.5 44,-3.0 -2,-0.4 2,-0.4 -0.929 14.7-144.2-108.3 129.0 83.4 58.9 -4.4 70 78 A L E +c 113 0C 13 -2,-0.5 2,-0.3 42,-0.2 44,-0.2 -0.780 22.7 172.7 -97.1 135.4 84.2 59.1 -0.7 71 79 A K E -c 114 0C 31 42,-2.2 44,-2.6 -2,-0.4 2,-0.2 -0.973 23.6-143.2-145.4 129.3 81.4 60.0 1.8 72 80 A T E -c 115 0C 38 -2,-0.3 -28,-0.1 42,-0.2 42,-0.0 -0.556 16.2-160.9 -82.9 155.9 81.3 60.0 5.6 73 81 A L E -c 116 0C 1 42,-1.8 44,-2.1 -2,-0.2 2,-0.2 -0.860 10.3-141.1-143.4 103.4 78.0 58.9 7.2 74 82 A P E -c 117 0C 26 0, 0.0 8,-2.5 0, 0.0 9,-0.6 -0.446 26.3-179.8 -69.3 132.3 77.2 59.9 10.8 75 83 A I E -cD 118 81C 33 42,-2.5 44,-2.5 6,-0.3 45,-0.6 -0.927 20.1-131.8-130.6 155.3 75.4 57.1 12.8 76 84 A N > - 0 0 43 4,-2.4 3,-1.7 -2,-0.3 6,-0.0 -0.224 48.0 -78.2 -91.7-171.7 74.1 56.7 16.3 77 85 A A T 3 S+ 0 0 94 1,-0.3 -1,-0.0 2,-0.1 41,-0.0 0.748 129.5 54.5 -60.5 -29.7 74.7 53.8 18.8 78 86 A E T 3 S- 0 0 156 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.392 121.4-105.3 -86.8 3.5 72.1 51.6 17.0 79 87 A G S < S+ 0 0 31 -3,-1.7 -2,-0.1 1,-0.3 135,-0.1 0.699 75.8 137.7 81.7 20.7 73.8 52.1 13.7 80 88 A Y - 0 0 88 1,-0.1 -4,-2.4 134,-0.0 -1,-0.3 -0.767 60.9 -97.8-102.3 145.4 71.2 54.4 12.3 81 89 A P B -D 75 0C 2 0, 0.0 -6,-0.3 0, 0.0 126,-0.1 -0.371 24.5-165.3 -63.3 131.1 72.0 57.6 10.2 82 90 A L S S+ 0 0 51 -8,-2.5 2,-0.3 -2,-0.1 -7,-0.2 0.532 72.9 24.1 -89.8 -11.1 72.0 60.9 12.2 83 91 A E S S- 0 0 92 -9,-0.6 2,-0.1 124,-0.1 -1,-0.1 -0.963 81.3-104.2-149.1 164.2 71.9 63.1 9.1 84 92 A T - 0 0 33 -2,-0.3 2,-0.5 -3,-0.0 122,-0.2 -0.317 42.1-112.2 -80.1 171.6 70.9 63.1 5.5 85 93 A T E -G 205 0D 10 120,-1.7 120,-2.4 -2,-0.1 2,-0.2 -0.938 18.3-136.8-117.7 121.5 73.6 62.9 2.8 86 94 A F E +G 204 0D 53 -2,-0.5 118,-0.2 118,-0.2 3,-0.1 -0.500 25.5 172.4 -71.6 137.1 74.4 65.8 0.5 87 95 A V E - 0 0 1 116,-3.1 2,-0.3 1,-0.3 -1,-0.2 0.781 52.8 -42.1-110.4 -61.2 74.9 64.7 -3.1 88 96 A S E -G 203 0D 6 115,-0.7 115,-2.7 20,-0.0 -1,-0.3 -0.965 58.9 -83.7-171.2 153.8 75.3 67.8 -5.3 89 97 A L E -G 202 0D 102 -2,-0.3 113,-0.3 113,-0.3 15,-0.1 -0.268 45.6-121.5 -60.7 148.7 73.9 71.2 -6.1 90 98 A A - 0 0 12 111,-3.3 2,-1.0 15,-0.0 111,-0.4 -0.800 16.0-127.8 -96.7 133.7 70.9 71.4 -8.3 91 99 A P - 0 0 60 0, 0.0 4,-0.2 0, 0.0 97,-0.1 -0.701 23.7-175.1 -81.7 104.3 71.1 73.4 -11.6 92 100 A L + 0 0 6 -2,-1.0 2,-0.3 95,-0.3 68,-0.1 0.416 67.4 43.0 -81.2 3.0 68.1 75.7 -11.4 93 101 A V S S+ 0 0 49 95,-0.1 65,-0.1 1,-0.1 96,-0.1 -0.996 114.3 11.6-148.6 147.1 68.7 77.0 -14.9 94 102 A Q S S+ 0 0 85 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 0.721 70.4 142.7 59.6 22.5 69.7 75.6 -18.3 95 103 A N > + 0 0 15 -4,-0.2 3,-1.4 2,-0.1 2,-0.2 0.647 32.5 123.4 -65.8 -11.6 69.0 72.1 -16.9 96 104 A S T 3 + 0 0 90 1,-0.2 -3,-0.0 62,-0.0 0, 0.0 -0.320 65.1 31.0 -55.1 115.4 67.7 71.6 -20.4 97 105 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -2,-0.2 2,-0.2 -0.132 83.5 110.5 132.1 -42.5 69.6 68.6 -21.9 98 106 A V < - 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