==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 16-NOV-11 3UO7 . COMPND 2 MOLECULE: 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*AP*TP*GP*A . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.ZHANG,C.HE . 354 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 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 . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 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 2 0 2 0 1 0 1 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 5 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 . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1 123 A T 0 0 128 0, 0.0 72,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 -76.2 41.1 70.1 -1.9 2 124 A L - 0 0 5 70,-0.5 67,-0.1 67,-0.0 22,-0.1 -0.962 360.0-135.0-111.4 106.3 38.6 68.7 -4.3 3 125 A P - 0 0 73 0, 0.0 2,-0.1 0, 0.0 64,-0.0 -0.249 12.4-117.6 -65.4 147.4 37.6 71.7 -6.5 4 126 A D - 0 0 46 1,-0.1 64,-0.2 2,-0.1 68,-0.0 -0.343 9.3-145.4 -79.9 164.9 34.1 72.4 -7.4 5 127 A I B +A 67 0A 34 62,-2.6 62,-0.5 -2,-0.1 2,-0.4 -0.358 48.9 141.6-125.9 46.3 33.1 72.3 -11.0 6 128 A L + 0 0 20 60,-0.2 2,-0.2 7,-0.0 -2,-0.1 -0.826 16.0 155.9-102.0 135.2 30.5 75.2 -10.8 7 129 A T - 0 0 65 -2,-0.4 3,-0.3 93,-0.0 2,-0.1 -0.721 42.9 -78.6-140.3-179.3 29.7 78.0 -13.3 8 130 A F S S+ 0 0 116 -2,-0.2 93,-0.1 1,-0.2 3,-0.1 -0.493 99.8 29.8 -86.8 164.7 26.6 80.3 -14.0 9 131 A N S S+ 0 0 147 91,-0.8 2,-0.5 1,-0.2 -1,-0.2 0.899 80.1 161.6 61.7 37.1 23.4 79.5 -15.9 10 132 A L - 0 0 5 90,-0.4 93,-2.4 -3,-0.3 94,-0.2 -0.809 39.6-152.4 -94.0 133.2 23.5 75.9 -15.0 11 133 A D S S+ 0 0 19 -2,-0.5 93,-2.5 53,-0.3 2,-0.4 0.988 81.1 18.6 -57.1 -57.0 20.5 73.7 -15.2 12 134 A I E -bc 65 104A 1 52,-2.6 54,-2.1 91,-0.2 2,-0.4 -0.956 55.1-168.0-131.7 129.8 21.7 71.3 -12.5 13 135 A V E -bc 66 105A 2 91,-2.2 93,-3.1 -2,-0.4 2,-0.5 -0.949 18.5-147.5-112.0 133.8 24.2 71.3 -9.7 14 136 A I E -bc 67 106A 4 52,-2.4 54,-2.3 -2,-0.4 2,-0.6 -0.916 10.6-155.4-108.6 121.4 24.9 68.0 -8.0 15 137 A I E -bc 68 107A 0 91,-2.8 93,-3.1 -2,-0.5 2,-0.4 -0.900 8.2-164.2-107.0 115.3 25.7 68.1 -4.4 16 138 A G E -bc 69 108A 3 52,-1.9 54,-2.2 -2,-0.6 55,-0.7 -0.834 24.0-124.6 -98.8 136.8 27.8 65.4 -2.8 17 139 A I S S- 0 0 16 91,-0.8 54,-0.3 -2,-0.4 -1,-0.1 0.761 80.0 -36.8 -34.6 -64.9 28.2 64.6 0.8 18 140 A A S S- 0 0 18 52,-0.1 -1,-0.2 57,-0.1 54,-0.2 -0.849 74.0 -92.7-158.1 145.1 32.0 64.8 1.2 19 141 A P - 0 0 5 0, 0.0 56,-2.3 0, 0.0 58,-0.1 -0.431 42.4-132.3 -63.0 130.5 34.5 63.6 -1.4 20 142 A G > - 0 0 25 54,-0.2 4,-2.1 -2,-0.1 57,-0.2 -0.199 26.3 -99.5 -73.3 173.1 35.6 60.0 -0.9 21 143 A L H > S+ 0 0 22 55,-0.6 4,-2.6 2,-0.2 5,-0.1 0.845 122.6 50.2 -67.4 -34.5 39.2 58.9 -0.9 22 144 A M H > S+ 0 0 58 54,-0.2 4,-2.0 2,-0.2 5,-0.3 0.929 108.8 54.0 -64.6 -42.8 39.2 57.7 -4.5 23 145 A A H >>S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 5,-0.8 0.943 110.1 46.5 -58.4 -44.7 37.7 60.9 -5.5 24 146 A A H <5S+ 0 0 39 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.980 110.1 52.8 -62.0 -52.8 40.5 62.8 -3.8 25 147 A Y H <5S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.791 119.2 34.6 -50.2 -40.2 43.2 60.6 -5.3 26 148 A K H <5S- 0 0 89 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.671 96.2-139.0 -91.4 -17.6 42.0 61.0 -8.8 27 149 A G T <5 + 0 0 31 -4,-2.0 2,-0.3 -3,-0.4 -3,-0.2 0.855 66.6 108.2 61.9 34.7 40.8 64.6 -8.4 28 150 A H S -F 151 0B 41 116,-0.2 3,-0.7 -5,-0.2 4,-0.5 -0.970 58.0-156.1-115.5 109.1 29.5 55.0 -8.2 36 158 A H T 3> + 0 0 12 114,-0.6 4,-2.3 -2,-0.5 5,-0.2 0.523 69.9 93.9 -64.6 -7.9 26.2 54.8 -9.9 37 159 A F H 3> S+ 0 0 0 113,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.937 83.5 41.4 -54.0 -58.7 26.4 58.4 -11.0 38 160 A W H <> S+ 0 0 12 -3,-0.7 4,-1.7 -8,-0.3 13,-0.4 0.854 115.2 51.0 -67.2 -33.9 27.9 58.2 -14.4 39 161 A K H > S+ 0 0 81 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.908 111.9 47.8 -65.7 -44.1 25.8 55.3 -15.4 40 162 A C H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 6,-0.3 0.921 106.1 57.9 -64.1 -41.0 22.7 57.0 -14.3 41 163 A L H X>S+ 0 0 2 -4,-2.6 6,-2.1 -5,-0.2 5,-0.8 0.909 113.7 38.8 -54.5 -45.3 23.6 60.1 -16.1 42 164 A F H ><5S+ 0 0 84 -4,-1.7 3,-0.6 4,-0.2 -2,-0.2 0.952 115.7 51.0 -69.6 -50.0 23.8 58.2 -19.3 43 165 A M H 3<5S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.850 108.7 51.4 -59.3 -38.5 20.8 56.0 -18.7 44 166 A S H 3<5S- 0 0 3 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.769 113.3-119.4 -71.6 -24.1 18.5 58.9 -17.9 45 167 A G T <<5S+ 0 0 37 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.464 82.7 122.0 96.1 5.1 19.5 60.6 -21.0 46 168 A L S - 0 0 76 -2,-0.5 3,-1.6 1,-0.1 -22,-0.0 -0.196 46.9 -86.3 -67.0-177.7 33.6 58.3 -16.8 53 175 A H G > S+ 0 0 24 1,-0.3 3,-1.7 2,-0.2 -24,-0.5 0.624 119.3 72.5 -60.7 -30.8 34.8 60.8 -14.3 54 176 A M G 3 S+ 0 0 100 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.751 89.7 60.5 -67.9 -21.7 37.4 62.2 -16.4 55 177 A D G X S+ 0 0 49 -3,-1.6 3,-1.6 1,-0.2 -1,-0.3 0.247 75.6 108.3 -82.0 8.6 34.7 63.9 -18.5 56 178 A D G X + 0 0 3 -3,-1.7 3,-1.3 1,-0.3 -1,-0.2 0.860 69.5 53.7 -66.7 -37.1 33.6 65.8 -15.4 57 179 A H G 3 S+ 0 0 104 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.412 100.9 63.9 -78.7 11.3 34.8 69.2 -16.3 58 180 A T G < S+ 0 0 60 -3,-1.6 4,-0.4 1,-0.1 5,-0.3 0.326 82.0 82.7-112.0 10.4 33.0 69.1 -19.6 59 181 A L S X>>S+ 0 0 0 -3,-1.3 4,-2.5 3,-0.2 5,-1.3 0.949 78.0 60.9 -89.0 -57.3 29.6 68.9 -18.1 60 182 A P T 345S+ 0 0 20 0, 0.0 2,-0.2 0, 0.0 -50,-0.1 -0.549 113.4 28.4 -54.7 144.1 28.8 72.5 -17.3 61 183 A G T 345S+ 0 0 81 1,-0.2 -2,-0.1 -2,-0.1 -3,-0.1 -0.047 129.6 39.8 90.5 -36.1 28.9 74.1 -20.7 62 184 A K T <45S+ 0 0 129 -3,-0.9 -1,-0.2 -4,-0.4 -3,-0.2 0.757 133.8 14.5-101.0 -43.7 27.9 71.1 -22.6 63 185 A Y T <5S- 0 0 30 -4,-2.5 -4,-0.1 -5,-0.3 3,-0.1 0.547 93.7-119.3-111.1 -13.4 25.3 69.5 -20.4 64 186 A G S - 0 0 63 -2,-0.5 4,-1.9 1,-0.1 5,-0.1 -0.162 15.7-123.5 -59.1 155.4 31.0 65.9 12.6 83 205 A S H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.910 118.9 51.5 -65.1 -39.3 27.5 67.2 13.0 84 206 A K H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.873 103.2 60.4 -57.5 -41.6 29.1 70.5 13.3 85 207 A E H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.940 105.2 47.1 -55.3 -50.4 31.0 69.8 10.1 86 208 A F H X S+ 0 0 26 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.938 113.9 43.7 -57.4 -53.0 27.9 69.4 8.2 87 209 A R H X S+ 0 0 113 -4,-1.9 4,-1.2 1,-0.3 3,-0.3 0.906 110.4 56.4 -72.4 -30.5 26.1 72.5 9.3 88 210 A E H X S+ 0 0 114 -4,-2.7 4,-0.8 -5,-0.2 3,-0.4 0.925 109.7 47.1 -55.0 -44.4 29.2 74.5 9.0 89 211 A G H X S+ 0 0 7 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.700 99.3 68.3 -73.1 -17.2 29.3 73.4 5.4 90 212 A G H X S+ 0 0 2 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.898 95.6 57.6 -66.2 -34.8 25.7 74.2 4.8 91 213 A R H X S+ 0 0 153 -4,-1.2 4,-1.4 -3,-0.4 -1,-0.2 0.908 108.8 40.9 -58.5 -52.7 26.6 77.7 5.2 92 214 A I H X S+ 0 0 37 -4,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.845 109.4 60.7 -76.0 -28.3 29.1 77.9 2.4 93 215 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 -23,-0.2 -1,-0.2 0.931 103.2 50.9 -56.7 -48.9 27.1 75.7 0.1 94 216 A V H X S+ 0 0 16 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.917 104.9 56.8 -56.4 -44.6 24.3 78.2 0.2 95 217 A Q H X S+ 0 0 84 -4,-1.4 4,-2.0 1,-0.3 -1,-0.2 0.879 108.7 46.0 -59.6 -40.3 26.6 81.0 -0.7 96 218 A K H X S+ 0 0 28 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.919 111.6 53.1 -65.2 -44.5 27.7 79.3 -3.8 97 219 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.912 112.1 43.0 -57.5 -44.9 24.2 78.5 -4.7 98 220 A Q H < S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.831 115.3 51.2 -77.8 -25.6 23.0 82.0 -4.4 99 221 A K H < S+ 0 0 124 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.839 121.6 30.5 -69.6 -37.0 26.1 83.2 -6.2 100 222 A Y H < S- 0 0 47 -4,-2.4 -91,-0.8 -5,-0.1 -90,-0.4 0.718 85.4-157.0-104.8 -21.2 25.7 80.8 -9.1 101 223 A Q < - 0 0 91 -4,-2.6 -92,-0.2 -5,-0.3 -3,-0.1 0.863 15.0-176.2 49.1 55.7 21.9 80.4 -9.3 102 224 A P - 0 0 2 0, 0.0 -91,-0.2 0, 0.0 -90,-0.1 -0.379 34.4-115.9 -73.3 157.1 21.5 77.0 -11.1 103 225 A R S S+ 0 0 67 -93,-2.4 40,-2.2 1,-0.2 2,-0.4 0.954 95.1 18.0 -57.1 -53.7 18.0 76.0 -11.8 104 226 A I E -cd 12 143A 0 -93,-2.5 -91,-2.2 38,-0.3 2,-0.6 -0.982 63.7-152.9-128.7 133.2 17.9 73.0 -9.7 105 227 A A E -cd 13 144A 0 38,-3.2 40,-2.1 -2,-0.4 2,-0.5 -0.907 18.7-159.1-105.2 114.5 20.2 72.0 -6.8 106 228 A V E -cd 14 145A 0 -93,-3.1 -91,-2.8 -2,-0.6 2,-0.6 -0.809 4.7-148.5-102.1 126.7 20.3 68.2 -6.5 107 229 A F E -cd 15 146A 0 38,-2.8 40,-2.0 -2,-0.5 2,-1.0 -0.832 6.4-148.2 -97.3 124.7 21.3 66.7 -3.3 108 230 A N E S+cd 16 147A 3 -93,-3.1 -91,-0.8 -2,-0.6 41,-0.2 -0.716 71.5 18.4 -90.9 102.5 23.1 63.5 -3.6 109 231 A G S > S- 0 0 0 38,-2.3 4,-0.6 -2,-1.0 38,-0.2 -0.122 76.6-114.9 106.1 143.2 22.2 61.6 -0.6 110 232 A K H > S+ 0 0 82 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.752 102.2 68.2 -80.8 -31.1 19.6 61.9 1.8 111 233 A C H > S+ 0 0 54 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.842 95.1 56.0 -64.7 -33.8 21.6 62.8 4.8 112 234 A I H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 105.1 48.8 -70.3 -38.0 22.7 66.1 3.6 113 235 A Y H X S+ 0 0 3 -4,-0.6 4,-2.6 -3,-0.2 5,-0.2 0.787 103.3 63.1 -73.3 -25.7 19.2 67.6 2.9 114 236 A E H X S+ 0 0 51 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.975 109.7 38.7 -60.7 -46.0 18.0 66.6 6.2 115 237 A I H X S+ 0 0 48 -4,-1.3 4,-2.9 1,-0.2 5,-0.3 0.906 112.4 57.1 -69.9 -42.8 20.6 68.8 7.8 116 238 A F H X>S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-1.2 0.919 105.6 50.5 -54.7 -44.0 20.1 71.5 5.2 117 239 A S H X>S+ 0 0 1 -4,-2.6 6,-2.0 3,-0.2 5,-1.6 0.983 114.8 45.8 -61.8 -47.8 16.4 71.8 6.0 118 240 A K H X5S+ 0 0 113 -4,-1.9 4,-1.7 4,-0.3 -2,-0.2 0.971 124.1 30.8 -46.8 -77.3 17.3 72.0 9.7 119 241 A E H <5S+ 0 0 105 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.927 131.0 30.0 -63.2 -55.0 20.1 74.5 9.3 120 242 A V H <5S+ 0 0 41 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.948 136.3 21.4 -66.1 -55.2 19.0 76.6 6.3 121 243 A F H < - 0 0 0 5,-2.7 3,-1.6 -2,-0.1 5,-0.2 -0.558 63.4 -89.8 -65.3 127.2 17.0 78.1 -2.0 138 260 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.078 105.0 0.2 -53.0 138.1 16.9 81.4 -0.1 139 261 A D T 3 S+ 0 0 147 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.745 121.7 80.4 55.0 31.0 17.1 84.5 -2.2 140 262 A T S < S- 0 0 7 -3,-1.6 -1,-0.2 2,-0.1 -42,-0.1 -0.906 80.9-124.1-144.1 176.6 17.2 82.5 -5.4 141 263 A E + 0 0 134 -2,-0.3 2,-0.2 -39,-0.1 -2,-0.0 0.224 67.2 129.8-106.2 13.8 14.9 80.6 -7.7 142 264 A T - 0 0 0 -5,-0.2 -5,-2.7 -4,-0.1 2,-0.4 -0.470 49.4-144.1 -67.3 126.8 16.9 77.4 -7.4 143 265 A L E -dE 104 136A 29 -40,-2.2 -38,-3.2 -2,-0.2 2,-0.4 -0.808 8.1-133.1 -93.4 140.3 14.8 74.4 -6.5 144 266 A C E +d 105 0A 0 -9,-0.7 -11,-2.2 -11,-0.5 2,-0.3 -0.759 24.4 179.3 -92.8 136.0 16.1 71.6 -4.2 145 267 A Y E -dE 106 132A 9 -40,-2.1 -38,-2.8 -2,-0.4 2,-0.4 -0.977 15.9-141.2-135.9 142.1 15.7 68.0 -5.2 146 268 A V E +dE 107 131A 0 -15,-1.4 -15,-2.0 -2,-0.3 -38,-0.2 -0.884 18.9 176.6-114.6 139.8 16.8 64.9 -3.2 147 269 A M E -d 108 0A 0 -40,-2.0 -38,-2.3 -2,-0.4 3,-0.1 -0.976 38.1 -97.6-129.2 157.6 18.3 61.7 -4.5 148 270 A P - 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