==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 29-JUL-03 1Q3F . COMPND 2 MOLECULE: 5'-D(*TP*GP*TP*(NRI)P*AP*TP*CP*TP*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.A.BIANCHET,L.A.SEIPLE,Y.L.JIANG,Y.ICHIKAWA,L.M.AMZEL, . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.2 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 . 1 0.4 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 1 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 82 A M 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.0 30.2 48.7 40.9 2 83 A E + 0 0 137 1,-0.1 4,-0.1 2,-0.0 40,-0.0 0.804 360.0 134.8 51.8 38.5 29.8 45.0 40.1 3 84 A F + 0 0 78 2,-0.1 2,-0.4 41,-0.0 45,-0.3 0.790 64.6 63.2 -79.2 -30.1 27.2 44.4 42.8 4 85 A F S S- 0 0 24 43,-0.1 2,-0.2 44,-0.1 42,-0.1 -0.775 91.1-121.3 -96.4 136.8 25.2 42.4 40.2 5 86 A G >> - 0 0 15 -2,-0.4 4,-2.4 40,-0.3 3,-0.8 -0.549 33.8-112.4 -72.2 143.4 26.5 39.2 38.6 6 87 A E H 3> S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.838 112.8 45.2 -45.0 -52.6 26.7 39.7 34.8 7 88 A S H 3> S+ 0 0 10 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.791 114.6 50.5 -67.5 -27.6 24.0 37.2 33.8 8 89 A W H <> S+ 0 0 3 -3,-0.8 4,-1.1 40,-0.3 3,-0.2 0.915 110.3 47.4 -75.8 -44.4 21.6 38.5 36.5 9 90 A K H X S+ 0 0 75 -4,-2.4 4,-1.7 1,-0.2 3,-0.2 0.852 108.2 58.7 -63.6 -35.7 22.0 42.1 35.6 10 91 A K H < S+ 0 0 127 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.862 114.7 34.1 -62.7 -38.0 21.5 41.2 31.9 11 92 A H H < S+ 0 0 73 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.512 125.6 39.5 -98.1 -4.5 18.1 39.7 32.6 12 93 A L H >< S+ 0 0 4 -4,-1.1 3,-2.5 -3,-0.2 4,-0.5 0.473 83.2 98.6-118.4 -9.7 16.9 42.0 35.4 13 94 A S G >X + 0 0 56 -4,-1.7 3,-1.1 1,-0.3 4,-0.5 0.748 69.0 74.4 -51.0 -29.0 18.2 45.3 34.0 14 95 A G G 34 S+ 0 0 54 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.656 91.9 55.9 -61.3 -15.7 14.7 46.1 32.7 15 96 A E G X4 S+ 0 0 24 -3,-2.5 3,-1.6 1,-0.2 6,-0.4 0.754 88.1 78.6 -86.3 -26.9 13.6 46.8 36.2 16 97 A F T <4 S+ 0 0 65 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.804 95.4 44.0 -52.6 -38.6 16.3 49.5 36.8 17 98 A G T 3< S+ 0 0 63 -4,-0.5 -1,-0.3 -3,-0.1 -2,-0.1 0.482 88.9 110.4 -88.6 -2.9 14.6 52.2 34.9 18 99 A K S X> S- 0 0 84 -3,-1.6 4,-2.2 1,-0.1 3,-0.8 -0.480 74.8-124.1 -75.4 141.9 11.1 51.6 36.4 19 100 A P H 3> S+ 0 0 89 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.866 109.2 55.8 -50.5 -43.7 9.7 54.2 38.8 20 101 A Y H 3> S+ 0 0 36 1,-0.2 4,-1.5 2,-0.2 124,-0.1 0.851 110.6 45.0 -61.5 -35.3 9.1 51.6 41.6 21 102 A F H <> S+ 0 0 16 -3,-0.8 4,-2.9 -6,-0.4 5,-0.3 0.908 112.1 49.9 -74.8 -44.1 12.8 50.6 41.5 22 103 A I H X S+ 0 0 100 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.926 116.3 43.8 -59.1 -43.1 14.1 54.2 41.3 23 104 A K H X S+ 0 0 158 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.810 111.3 54.6 -73.0 -29.4 11.9 55.0 44.3 24 105 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.959 111.1 43.3 -66.7 -51.6 12.8 51.8 46.1 25 106 A M H X S+ 0 0 62 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.824 112.3 56.0 -63.0 -31.0 16.6 52.6 45.9 26 107 A G H X S+ 0 0 41 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.901 107.8 47.9 -67.2 -41.0 15.7 56.1 46.9 27 108 A F H X S+ 0 0 34 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.934 110.9 49.3 -64.8 -48.8 14.0 54.9 50.0 28 109 A V H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.882 111.2 51.5 -58.9 -39.1 16.8 52.5 51.0 29 110 A A H X S+ 0 0 48 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.910 109.5 48.4 -64.1 -44.2 19.3 55.4 50.6 30 111 A E H X S+ 0 0 100 -4,-2.0 4,-0.6 1,-0.2 3,-0.5 0.890 111.8 51.7 -63.3 -39.2 17.2 57.8 52.7 31 112 A E H >X S+ 0 0 14 -4,-2.3 4,-3.4 1,-0.2 3,-1.5 0.918 103.5 55.8 -63.8 -46.7 17.0 55.0 55.4 32 113 A R H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.714 103.2 58.5 -61.5 -18.7 20.8 54.4 55.4 33 114 A K H 3< S+ 0 0 151 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.708 120.4 24.0 -83.8 -19.3 21.2 58.1 56.2 34 115 A H H << S+ 0 0 119 -3,-1.5 2,-0.2 -4,-0.6 -2,-0.2 0.639 128.9 23.0-117.3 -23.9 19.1 57.9 59.4 35 116 A Y S < S- 0 0 106 -4,-3.4 2,-0.6 -5,-0.2 -1,-0.1 -0.789 83.4 -95.1-134.4 177.6 19.3 54.3 60.5 36 117 A T - 0 0 83 -2,-0.2 94,-3.4 94,-0.1 2,-0.4 -0.887 42.5-165.3 -98.4 120.9 21.6 51.3 60.1 37 118 A V E -A 129 0A 7 -2,-0.6 92,-0.2 92,-0.2 30,-0.0 -0.885 18.6-103.9-111.0 140.0 20.3 49.1 57.2 38 119 A Y E S+A 128 0A 32 90,-3.0 90,-1.6 -2,-0.4 35,-0.1 -0.907 86.7 25.4-118.6 144.4 21.4 45.5 56.5 39 120 A P S S- 0 0 1 0, 0.0 34,-0.1 0, 0.0 89,-0.1 0.656 94.2-104.4 -83.9-177.2 23.1 44.2 54.7 40 121 A P >> - 0 0 45 0, 0.0 3,-2.5 0, 0.0 4,-0.6 -0.353 38.9-102.8 -65.1 154.0 25.6 46.8 53.6 41 122 A P G >4 S+ 0 0 68 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.797 119.2 55.9 -44.7 -41.8 25.0 48.2 50.1 42 123 A H G 34 S+ 0 0 98 1,-0.2 31,-0.0 2,-0.1 3,-0.0 0.529 112.3 44.7 -74.4 -2.7 27.7 46.2 48.3 43 124 A Q G X4 S+ 0 0 29 -3,-2.5 3,-1.5 1,-0.1 4,-0.2 0.390 79.2 96.7-119.3 0.9 26.2 43.0 49.6 44 125 A V T << S+ 0 0 8 -3,-0.9 3,-0.2 -4,-0.6 -2,-0.1 0.824 97.2 36.2 -59.5 -29.7 22.4 43.5 49.0 45 126 A F T > S+ 0 0 15 -4,-0.3 3,-2.2 1,-0.2 -40,-0.3 0.009 73.2 122.9-114.5 26.2 22.8 41.5 45.7 46 127 A T G X + 0 0 10 -3,-1.5 3,-2.3 1,-0.3 4,-0.3 0.813 65.5 74.5 -55.5 -29.9 25.4 38.9 46.7 47 128 A W G 3 S+ 0 0 6 27,-0.8 -1,-0.3 1,-0.3 74,-0.2 0.536 92.8 52.7 -63.0 -6.9 22.8 36.3 45.6 48 129 A T G < S+ 0 0 2 -3,-2.2 -40,-0.3 -45,-0.3 -1,-0.3 0.424 99.2 66.3-104.9 -4.4 23.6 37.2 42.0 49 130 A Q S < S+ 0 0 85 -3,-2.3 -2,-0.2 -4,-0.3 -1,-0.1 0.365 85.1 68.6 -99.7 4.3 27.3 36.6 42.4 50 131 A M S S- 0 0 40 1,-0.3 2,-0.3 -4,-0.3 -1,-0.1 0.722 108.5 -9.1 -98.1 -25.5 27.4 32.8 43.1 51 132 A C S S- 0 0 28 -4,-0.1 -1,-0.3 -3,-0.1 2,-0.1 -0.968 82.7 -76.8-163.0 166.2 26.4 31.2 39.8 52 133 A D > - 0 0 54 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.457 41.9-122.5 -70.0 144.9 25.0 32.1 36.4 53 134 A I G > S+ 0 0 1 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.835 113.6 57.5 -58.4 -32.2 21.3 32.8 36.4 54 135 A K G 3 S+ 0 0 145 1,-0.2 -1,-0.3 102,-0.0 -2,-0.0 0.588 100.1 60.5 -75.9 -7.5 20.8 30.0 33.9 55 136 A D G < S+ 0 0 79 -3,-2.0 2,-0.3 101,-0.0 -1,-0.2 0.291 72.7 121.6-101.5 8.6 22.4 27.6 36.3 56 137 A V < + 0 0 5 -3,-1.2 63,-0.2 1,-0.2 3,-0.1 -0.556 24.4 162.2 -73.1 134.4 19.9 28.0 39.1 57 138 A K + 0 0 40 61,-3.2 103,-1.5 1,-0.4 2,-0.3 0.584 63.9 30.3-123.1 -28.9 18.3 24.7 40.0 58 139 A V E -cd 119 160B 0 60,-2.0 62,-2.7 101,-0.2 2,-0.5 -0.983 63.3-158.0-135.7 144.7 16.8 25.3 43.5 59 140 A V E -cd 120 161B 1 101,-2.6 103,-3.4 -2,-0.3 2,-0.6 -0.988 2.0-166.7-128.7 123.4 15.5 28.5 45.0 60 141 A I E -cd 121 162B 0 60,-2.9 62,-1.8 -2,-0.5 2,-0.6 -0.951 13.4-166.9-107.2 117.4 15.2 29.1 48.8 61 142 A L E +cd 122 163B 1 101,-2.7 103,-2.2 -2,-0.6 62,-0.3 -0.939 9.5 175.5-111.8 121.0 13.1 32.1 49.4 62 143 A G E -c 123 0B 0 60,-2.2 62,-2.0 -2,-0.6 63,-0.1 -0.377 36.8-106.4-106.2-170.4 13.0 33.6 52.9 63 144 A Q S S- 0 0 38 1,-0.3 62,-2.0 60,-0.2 61,-0.1 0.963 76.8 -36.7 -85.0 -66.8 11.3 36.8 54.3 64 145 A D S S- 0 0 18 60,-0.2 -1,-0.3 59,-0.1 62,-0.2 -0.973 73.8 -68.3-158.0 161.8 14.0 39.5 54.8 65 146 A P - 0 0 11 0, 0.0 69,-0.2 0, 0.0 2,-0.1 0.121 56.2 -85.4 -53.7 161.1 17.6 39.8 56.0 66 147 A Y - 0 0 28 12,-0.2 6,-0.3 1,-0.1 62,-0.1 -0.447 37.6-151.9 -63.1 141.8 19.1 39.2 59.4 67 148 A H + 0 0 70 -3,-0.1 64,-2.9 4,-0.1 -1,-0.1 0.158 60.1 97.1-108.7 18.7 18.7 42.5 61.3 68 149 A G S > S- 0 0 8 62,-0.2 3,-1.5 1,-0.1 4,-0.5 -0.668 87.5 -76.9-103.9 161.5 21.7 42.2 63.6 69 150 A P T 3 S- 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.321 110.6 -3.4 -60.4 129.1 25.2 43.7 63.3 70 151 A N T 3 S+ 0 0 115 2,-0.1 10,-0.2 -2,-0.1 13,-0.2 0.631 106.8 103.5 68.6 16.1 27.4 41.9 60.8 71 152 A Q < + 0 0 45 -3,-1.5 9,-0.5 8,-0.1 -4,-0.1 0.931 59.9 60.1 -92.1 -72.8 24.9 39.1 60.1 72 153 A A + 0 0 9 -4,-0.5 7,-0.1 -6,-0.3 -2,-0.1 -0.297 46.5 164.5 -60.9 137.5 23.2 39.5 56.7 73 154 A H - 0 0 2 2,-0.4 -1,-0.1 5,-0.4 -27,-0.1 0.149 67.6 -78.5-140.8 20.4 25.4 39.6 53.6 74 155 A G S S+ 0 0 13 1,-0.2 -27,-0.8 4,-0.2 2,-0.5 0.293 104.7 93.0 104.4 -14.0 23.1 39.0 50.6 75 156 A L S > S- 0 0 5 3,-0.2 3,-1.6 -29,-0.1 -2,-0.4 -0.974 85.7-105.7-113.3 126.4 22.4 35.3 50.7 76 157 A C T 3 S- 0 0 1 45,-1.8 3,-0.1 -2,-0.5 46,-0.1 -0.240 96.6 -1.6 -57.9 135.9 19.3 34.3 52.7 77 158 A F T 3 S+ 0 0 14 1,-0.2 -1,-0.2 33,-0.0 2,-0.2 0.315 105.6 122.4 68.0 -3.4 20.0 32.7 56.2 78 159 A S < - 0 0 0 -3,-1.6 -5,-0.4 43,-0.1 2,-0.3 -0.546 39.3-173.6 -92.4 151.6 23.8 32.9 55.6 79 160 A V - 0 0 0 30,-2.5 30,-0.4 -2,-0.2 -7,-0.1 -0.987 24.6-122.3-143.3 132.6 26.4 34.7 57.8 80 161 A Q > - 0 0 72 -9,-0.5 3,-1.6 -2,-0.3 0, 0.0 -0.426 51.7 -56.7 -75.5 148.6 30.1 35.1 56.9 81 162 A R T 3 S+ 0 0 139 1,-0.3 -1,-0.1 -2,-0.1 27,-0.1 -0.304 119.3 24.6 -59.7 148.4 32.8 33.7 59.2 82 163 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.968 96.5 102.3 -90.6 8.6 33.5 34.3 62.1 83 164 A V S < S- 0 0 21 -3,-1.6 26,-0.5 -13,-0.2 -4,-0.1 -0.233 74.4-122.6 -52.2 125.2 29.8 35.3 62.7 84 165 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.443 36.5 -87.3 -73.4 146.6 28.0 32.4 64.5 85 166 A P - 0 0 20 0, 0.0 -7,-0.1 0, 0.0 25,-0.0 -0.278 48.6-127.5 -51.2 125.6 24.9 30.9 62.8 86 167 A P > - 0 0 7 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.190 34.1 -87.2 -70.1 172.0 21.8 33.0 64.0 87 168 A P H > S+ 0 0 79 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.878 127.3 53.2 -46.8 -47.8 18.8 31.3 65.5 88 169 A S H > S+ 0 0 14 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.899 111.1 45.5 -56.8 -44.4 17.1 30.7 62.0 89 170 A L H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.834 106.8 57.2 -70.9 -34.1 20.2 29.0 60.6 90 171 A E H X S+ 0 0 74 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.886 108.5 49.5 -63.1 -35.2 20.8 26.8 63.7 91 172 A N H X S+ 0 0 24 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.861 108.2 51.9 -69.8 -37.0 17.2 25.5 63.0 92 173 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.921 112.1 46.4 -64.5 -44.3 18.0 24.9 59.4 93 174 A Y H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.861 108.6 56.4 -64.8 -37.3 21.0 22.9 60.4 94 175 A K H X S+ 0 0 119 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.903 111.1 43.0 -61.7 -41.7 18.9 21.0 63.0 95 176 A E H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 3,-0.4 0.909 111.2 55.2 -69.6 -43.5 16.5 20.0 60.2 96 177 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 7,-0.3 0.847 103.7 55.9 -58.1 -36.3 19.3 19.1 57.8 97 178 A S H < S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.839 114.4 37.5 -67.2 -35.2 20.9 16.7 60.4 98 179 A T H < S+ 0 0 106 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.760 122.7 45.1 -86.3 -25.1 17.7 14.7 60.8 99 180 A D H < S+ 0 0 7 -4,-2.3 2,-0.6 1,-0.2 -2,-0.2 0.840 116.8 41.6 -85.4 -38.8 16.9 15.0 57.0 100 181 A I S >< S- 0 0 25 -4,-3.2 3,-1.1 -5,-0.2 -1,-0.2 -0.953 70.3-156.9-115.2 113.5 20.3 14.2 55.6 101 182 A E T 3 S+ 0 0 179 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.840 93.0 48.7 -59.2 -36.9 22.1 11.4 57.4 102 183 A D T 3 S+ 0 0 103 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.573 89.8 105.8 -80.8 -9.8 25.6 12.5 56.4 103 184 A F < + 0 0 5 -3,-1.1 2,-0.3 -7,-0.3 -3,-0.1 -0.560 41.2 169.1 -78.2 132.2 25.0 16.1 57.4 104 185 A V - 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