==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 22-APR-04 1T2T . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.R.EDGELL,V.DERBYSHIRE,P.VAN ROEY,S.LABONNE,M.J.STANGER, . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 53.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 10.4 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 149 A K 0 0 116 0, 0.0 8,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 148.4 28.9 19.4 53.5 2 150 A F B -A 8 0A 132 6,-0.3 6,-0.3 9,-0.1 5,-0.1 -0.859 360.0-133.6-110.0 142.2 25.2 20.3 53.3 3 151 A C > - 0 0 10 4,-3.5 3,-1.8 -2,-0.4 12,-0.1 -0.431 32.5-104.4 -84.9 163.2 22.8 19.7 50.4 4 152 A K T 3 S+ 0 0 165 1,-0.3 -1,-0.1 -2,-0.1 11,-0.1 0.833 123.2 56.1 -57.7 -33.2 20.4 22.4 49.1 5 153 A C T 3 S- 0 0 69 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.630 123.6-106.4 -73.1 -14.8 17.5 20.6 50.9 6 154 A G S < S+ 0 0 44 -3,-1.8 -2,-0.1 1,-0.4 -1,-0.1 -0.069 80.7 118.4 116.4 -34.1 19.5 20.9 54.2 7 155 A V S S- 0 0 76 -5,-0.1 -4,-3.5 1,-0.1 2,-0.4 -0.334 70.3-102.5 -69.5 152.3 20.7 17.3 54.8 8 156 A R B +A 2 0A 191 -6,-0.3 -6,-0.3 -3,-0.1 2,-0.2 -0.584 43.6 177.6 -80.7 126.0 24.4 16.5 54.9 9 157 A I - 0 0 23 -8,-1.6 2,-0.1 -2,-0.4 7,-0.1 -0.738 40.4 -78.7-119.5 167.6 25.9 14.8 51.8 10 158 A Q > - 0 0 143 -2,-0.2 3,-2.0 1,-0.1 5,-0.1 -0.437 43.1-116.3 -67.4 140.4 29.4 13.8 50.9 11 159 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.1 -9,-0.1 0.809 118.7 51.1 -47.3 -33.6 31.6 16.7 49.8 12 160 A S T 3 S+ 0 0 100 -11,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.699 88.6 96.5 -78.8 -21.7 31.8 15.0 46.4 13 161 A A < - 0 0 16 -3,-2.0 -4,-0.1 1,-0.1 3,-0.1 -0.553 62.2-155.0 -73.3 128.0 28.0 14.5 46.1 14 162 A Y S S- 0 0 216 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.691 78.3 -11.1 -75.5 -18.8 26.3 17.3 44.0 15 163 A T S S- 0 0 33 -12,-0.1 -1,-0.2 -5,-0.1 -5,-0.1 -0.957 84.4 -84.4-170.1 160.6 23.0 16.7 45.8 16 164 A C >> - 0 0 14 -2,-0.3 4,-1.3 1,-0.1 3,-0.5 -0.275 46.8-108.6 -68.4 165.1 21.5 14.1 48.2 17 165 A S T 34 S+ 0 0 111 1,-0.2 -1,-0.1 2,-0.2 -8,-0.0 0.805 120.5 57.8 -64.2 -27.4 19.9 11.1 46.5 18 166 A K T 34 S+ 0 0 172 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.775 108.8 42.0 -74.7 -27.9 16.6 12.6 47.4 19 167 A C T <4 S+ 0 0 30 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.638 82.9 125.8 -93.5 -15.5 17.1 15.9 45.6 20 168 A R < - 0 0 108 -4,-1.3 2,-0.4 1,-0.1 -3,-0.0 -0.191 56.4-138.7 -48.8 120.2 18.7 14.4 42.5 21 169 A N + 0 0 93 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.707 31.0 166.4 -83.9 129.2 16.9 15.5 39.3 22 170 A R + 0 0 130 -2,-0.4 2,-0.3 5,-0.1 -1,-0.1 0.117 40.2 111.2-127.9 17.0 16.5 12.7 36.9 23 171 A S S > S- 0 0 86 3,-0.1 3,-2.2 4,-0.1 -2,-0.0 -0.722 81.5 -29.8 -98.5 146.5 14.0 14.3 34.6 24 172 A G G > S+ 0 0 51 -2,-0.3 3,-2.4 1,-0.3 6,-0.1 -0.240 136.4 5.1 52.1-133.3 14.5 15.5 31.0 25 173 A E G 3 S+ 0 0 154 1,-0.3 -1,-0.3 5,-0.1 5,-0.1 0.613 127.6 67.2 -55.2 -14.3 18.1 16.5 30.4 26 174 A N G < S+ 0 0 75 -3,-2.2 -1,-0.3 3,-0.1 -2,-0.2 0.580 74.5 104.5 -84.3 -13.7 18.9 15.4 33.9 27 175 A N S X S- 0 0 73 -3,-2.4 3,-1.9 1,-0.1 -5,-0.1 -0.489 75.7-130.9 -71.4 138.1 18.4 11.7 33.2 28 176 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.609 109.7 43.6 -64.4 -11.0 21.6 9.7 32.8 29 177 A F T > S+ 0 0 92 3,-0.1 3,-1.4 2,-0.0 -1,-0.3 0.132 83.6 137.4-119.6 17.6 20.2 8.2 29.6 30 178 A F T < S+ 0 0 92 -3,-1.9 3,-0.1 1,-0.2 -5,-0.1 -0.381 74.1 7.7 -65.9 141.5 18.8 11.4 28.2 31 179 A N T 3 S+ 0 0 139 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.530 99.4 127.6 64.4 7.4 19.5 12.0 24.5 32 180 A H < - 0 0 109 -3,-1.4 2,-0.3 0, 0.0 -1,-0.2 -0.454 49.9-141.1 -87.3 165.2 20.9 8.5 24.1 33 181 A K - 0 0 195 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.0 -0.941 15.2-121.3-125.1 148.4 19.6 6.0 21.4 34 182 A H - 0 0 88 -2,-0.3 2,-0.1 1,-0.1 0, 0.0 -0.666 27.1-119.8 -90.2 148.0 19.1 2.3 21.9 35 183 A S > - 0 0 57 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.337 25.1-109.2 -79.3 165.3 20.9 -0.2 19.7 36 184 A D H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.771 122.2 54.5 -64.3 -25.4 19.2 -2.7 17.4 37 185 A I H > S+ 0 0 115 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.985 108.6 43.9 -71.0 -59.7 20.4 -5.3 19.9 38 186 A T H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.901 114.5 52.3 -52.1 -43.7 18.8 -3.7 22.9 39 187 A K H X S+ 0 0 122 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.942 110.1 48.0 -57.7 -48.1 15.7 -3.1 20.9 40 188 A S H X S+ 0 0 65 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.890 110.7 52.0 -60.1 -41.3 15.6 -6.7 19.9 41 189 A K H X S+ 0 0 139 -4,-2.9 4,-1.6 2,-0.2 5,-0.2 0.986 111.2 44.8 -58.9 -60.3 16.1 -7.8 23.6 42 190 A I H X S+ 0 0 83 -4,-2.5 4,-1.2 1,-0.2 3,-0.4 0.914 110.9 57.5 -47.6 -49.5 13.3 -5.7 24.9 43 191 A S H >X S+ 0 0 59 -4,-2.7 4,-1.1 -5,-0.3 3,-1.0 0.922 105.5 48.5 -47.0 -56.0 11.1 -6.9 22.0 44 192 A E H 3< S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 110.7 49.6 -58.0 -35.5 11.6 -10.6 23.0 45 193 A K H 3< S+ 0 0 169 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.626 109.4 52.1 -82.6 -11.4 10.7 -10.1 26.6 46 194 A M H X< S+ 0 0 105 -4,-1.2 3,-1.6 -3,-1.0 -2,-0.2 0.630 84.4 106.8 -96.8 -15.3 7.6 -8.1 25.9 47 195 A K T 3< S+ 0 0 128 -4,-1.1 3,-0.1 1,-0.2 -3,-0.0 -0.399 81.2 23.2 -64.5 133.4 6.2 -10.8 23.5 48 196 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.242 96.5 115.1 97.4 -14.6 3.3 -12.7 25.0 49 197 A K < - 0 0 127 -3,-1.6 -1,-0.3 1,-0.0 -3,-0.0 -0.323 56.9-136.9 -85.2 168.4 2.3 -10.1 27.6 50 198 A K - 0 0 104 -3,-0.1 4,-0.1 -2,-0.1 -3,-0.0 -0.989 22.9-118.1-126.5 134.8 -0.9 -8.1 27.7 51 199 A P > - 0 0 71 0, 0.0 3,-0.5 0, 0.0 0, 0.0 -0.222 23.1-116.9 -65.4 165.4 -1.0 -4.4 28.4 52 200 A S T 3 S+ 0 0 127 1,-0.2 2,-0.0 3,-0.0 -2,-0.0 0.617 105.4 73.4 -79.3 -12.5 -2.8 -3.2 31.5 53 201 A N T 3 + 0 0 125 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.123 66.9 124.1 -95.4 36.1 -5.3 -1.3 29.3 54 202 A I < - 0 0 73 -3,-0.5 2,-0.4 12,-0.1 12,-0.1 -0.386 50.6-140.5 -86.1 172.1 -7.3 -4.2 28.0 55 203 A K - 0 0 122 -2,-0.1 12,-0.2 10,-0.0 41,-0.1 -0.968 11.1-131.0-137.6 119.4 -11.1 -4.4 28.3 56 204 A K - 0 0 116 39,-0.4 39,-2.1 -2,-0.4 2,-0.3 -0.437 34.0-166.1 -65.3 143.6 -13.0 -7.6 29.1 57 205 A I E -BC 64 94B 0 7,-2.2 7,-2.5 37,-0.3 2,-0.5 -0.939 20.6-150.6-135.3 156.3 -15.8 -8.0 26.7 58 206 A S E -BC 63 93B 10 35,-2.3 35,-1.5 -2,-0.3 2,-1.3 -0.970 7.9-155.7-128.5 114.5 -19.0 -10.1 26.4 59 207 A C E > S-BC 62 92B 6 3,-3.6 3,-2.2 -2,-0.5 33,-0.2 -0.747 75.5 -55.9 -93.5 92.6 -20.2 -10.9 22.9 60 208 A D T 3 S- 0 0 109 31,-2.2 -1,-0.2 -2,-1.3 32,-0.1 0.820 125.9 -25.5 40.9 39.2 -23.9 -11.5 23.6 61 209 A G T 3 S+ 0 0 54 1,-0.2 2,-0.6 30,-0.2 -1,-0.3 -0.268 117.5 98.0 127.5 -51.6 -22.8 -14.1 26.1 62 210 A V E < -B 59 0B 80 -3,-2.2 -3,-3.6 -4,-0.1 2,-0.3 -0.649 61.8-154.8 -76.8 116.2 -19.4 -15.3 25.0 63 211 A I E -B 58 0B 110 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.2 -0.660 13.0-173.5 -98.5 149.6 -16.7 -13.4 27.0 64 212 A F E -B 57 0B 31 -7,-2.5 -7,-2.2 -2,-0.3 3,-0.1 -0.926 34.3-120.5-135.2 158.1 -13.1 -12.6 26.2 65 213 A D S S+ 0 0 98 -2,-0.3 2,-0.3 -9,-0.2 -1,-0.1 0.795 94.6 1.6 -67.0 -31.9 -10.2 -11.1 28.0 66 214 A C S >> S- 0 0 8 -12,-0.1 4,-1.9 -10,-0.1 3,-0.5 -0.962 74.7-104.4-151.5 166.1 -9.8 -8.3 25.5 67 215 A A H 3> S+ 0 0 19 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.864 117.9 61.6 -60.6 -35.6 -11.4 -6.9 22.3 68 216 A A H 3> S+ 0 0 28 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.850 104.1 47.2 -61.3 -35.9 -8.5 -8.3 20.3 69 217 A D H <> S+ 0 0 33 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.925 111.8 50.8 -71.3 -43.4 -9.4 -11.8 21.4 70 218 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.932 115.3 43.9 -56.1 -44.6 -13.0 -11.1 20.5 71 219 A A H X>S+ 0 0 2 -4,-3.0 5,-2.0 2,-0.2 4,-1.8 0.939 113.4 48.2 -67.8 -48.6 -11.8 -9.9 17.1 72 220 A R H <5S+ 0 0 149 -4,-3.2 -1,-0.2 3,-0.2 -2,-0.2 0.864 113.7 50.6 -61.3 -32.7 -9.4 -12.7 16.5 73 221 A H H <5S+ 0 0 116 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.944 117.9 34.7 -69.5 -51.4 -12.1 -15.2 17.5 74 222 A F H <5S- 0 0 74 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.644 111.6-122.5 -76.7 -14.6 -14.9 -13.8 15.2 75 223 A K T <5 + 0 0 170 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.969 65.7 127.1 69.6 57.3 -12.2 -13.0 12.7 76 224 A I < - 0 0 40 -5,-2.0 -1,-0.2 -6,-0.1 2,-0.1 -0.864 65.7 -86.0-135.6 167.9 -12.9 -9.3 12.3 77 225 A S >> - 0 0 79 -2,-0.3 4,-1.0 1,-0.1 3,-0.9 -0.437 37.4-119.7 -73.2 151.4 -10.9 -6.1 12.6 78 226 A S H 3> S+ 0 0 71 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.788 113.9 60.7 -63.4 -25.2 -10.5 -4.6 16.0 79 227 A G H 3> S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.802 97.8 56.9 -72.6 -27.4 -12.3 -1.5 14.8 80 228 A L H <> S+ 0 0 55 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.793 100.6 58.1 -72.1 -28.6 -15.4 -3.5 14.0 81 229 A V H X S+ 0 0 0 -4,-1.0 4,-2.6 2,-0.2 5,-0.2 0.956 107.2 47.8 -63.5 -46.8 -15.5 -4.7 17.6 82 230 A T H X S+ 0 0 68 -4,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.926 109.8 54.0 -57.3 -46.0 -15.7 -1.0 18.6 83 231 A Y H X S+ 0 0 148 -4,-2.0 4,-1.5 1,-0.2 3,-0.5 0.924 111.9 42.4 -53.6 -52.4 -18.4 -0.5 16.1 84 232 A R H < S+ 0 0 39 -4,-2.5 8,-0.4 2,-0.2 6,-0.4 0.907 106.8 59.3 -65.1 -44.4 -20.6 -3.3 17.4 85 233 A V H < S+ 0 0 34 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.762 116.0 38.2 -58.1 -22.6 -20.1 -2.5 21.1 86 234 A K H < S+ 0 0 165 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.679 97.4 97.8-100.4 -22.5 -21.6 0.9 20.2 87 235 A S >< - 0 0 25 -4,-1.5 3,-0.9 -5,-0.2 5,-0.3 -0.412 67.0-145.1 -68.8 141.4 -24.2 -0.4 17.7 88 236 A D T 3 S+ 0 0 150 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.434 97.0 71.6 -82.8 -1.8 -27.7 -0.8 19.1 89 237 A K T 3 S+ 0 0 175 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.546 95.2 58.3 -88.6 -10.7 -27.9 -3.8 16.7 90 238 A W S < S- 0 0 99 -3,-0.9 2,-0.8 -6,-0.4 -31,-0.0 -0.907 71.9-138.0-122.7 151.5 -25.6 -5.9 18.8 91 239 A N + 0 0 87 -2,-0.3 -31,-2.2 2,-0.0 2,-0.5 -0.462 59.5 134.4 -99.7 58.5 -25.6 -7.1 22.4 92 240 A W E +C 59 0B 14 -2,-0.8 2,-0.3 -8,-0.4 -33,-0.2 -0.945 23.1 157.2-115.4 123.2 -21.9 -6.4 22.9 93 241 A F E -C 58 0B 95 -35,-1.5 -35,-2.3 -2,-0.5 2,-0.5 -0.947 41.9-107.2-141.6 158.7 -20.5 -4.6 25.9 94 242 A Y E -C 57 0B 70 -2,-0.3 -37,-0.3 -37,-0.2 2,-0.2 -0.749 38.4-124.6 -88.8 130.6 -17.4 -4.2 27.9 95 243 A I 0 0 54 -39,-2.1 -39,-0.4 -2,-0.5 -1,-0.0 -0.523 360.0 360.0 -76.9 137.2 -17.3 -6.0 31.3 96 244 A N 0 0 206 -2,-0.2 -1,-0.2 -41,-0.1 -39,-0.1 0.125 360.0 360.0 -25.4 360.0 -16.7 -4.0 34.4