==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-SEP-94 1YPT . COMPND 2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE YERSINIA (CATALYTIC . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR J.A.STUCKEY,H.L.SCHUBERT,E.B.FAUMAN,Z.-Y.ZHANG,J.E.DIXON, . 558 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 13.8 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 45 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 2 0 0 0 0 2 3 2 0 1 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 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 . 4 0 2 0 0 2 1 1 0 0 0 2 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 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 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 1 191 A P > 0 0 121 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -57.5 -15.4 5.7 54.7 2 192 A E H > + 0 0 152 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.932 360.0 40.4 -58.5 -63.0 -18.0 3.1 53.5 3 193 A A H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.791 114.5 54.1 -61.0 -28.8 -17.9 3.6 49.7 4 194 A R H > S+ 0 0 101 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.984 108.6 48.6 -71.3 -49.6 -14.1 4.0 49.7 5 195 A A H X S+ 0 0 56 -4,-2.3 4,-1.6 1,-0.3 -2,-0.2 0.859 112.5 48.8 -56.6 -39.9 -13.7 0.6 51.6 6 196 A E H X S+ 0 0 86 -4,-2.1 4,-2.3 2,-0.2 -1,-0.3 0.912 108.1 53.7 -66.3 -44.9 -16.0 -1.1 49.1 7 197 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.936 109.1 50.4 -54.6 -47.4 -14.1 0.4 46.1 8 198 A S H X S+ 0 0 39 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.867 108.0 53.1 -60.6 -33.4 -11.0 -1.1 47.6 9 199 A S H X S+ 0 0 59 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.939 110.1 45.2 -71.5 -43.2 -12.6 -4.5 48.0 10 200 A R H X S+ 0 0 77 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.953 115.6 47.8 -64.2 -44.7 -13.7 -4.8 44.4 11 201 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.876 110.4 52.0 -66.3 -34.5 -10.3 -3.6 43.2 12 202 A T H X S+ 0 0 61 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.919 109.5 49.7 -65.3 -38.7 -8.4 -6.0 45.5 13 203 A T H X S+ 0 0 88 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.946 111.6 47.7 -64.2 -46.9 -10.5 -8.9 44.2 14 204 A L H X S+ 0 0 40 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.944 110.4 53.1 -58.9 -47.3 -9.7 -7.9 40.5 15 205 A R H X S+ 0 0 108 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.941 108.8 48.8 -53.1 -52.1 -6.1 -7.6 41.4 16 206 A N H < S+ 0 0 98 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.861 109.6 52.5 -57.3 -40.5 -6.0 -11.1 42.8 17 207 A T H < S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.894 111.4 47.9 -60.3 -41.2 -7.7 -12.5 39.7 18 208 A L H < S+ 0 0 10 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.614 80.0 131.7 -83.0 -9.7 -5.1 -10.8 37.6 19 209 A A < - 0 0 52 -4,-1.1 2,-0.5 -3,-0.5 -3,-0.1 -0.045 65.0-107.6 -43.7 133.5 -2.1 -12.0 39.5 20 210 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.575 30.6-156.0 -73.7 120.2 0.6 -13.5 37.2 21 211 A A > - 0 0 60 -2,-0.5 3,-1.1 1,-0.1 2,-0.1 -0.405 46.4 -68.4 -81.7 170.3 1.0 -17.3 37.4 22 212 A T T 3 S- 0 0 146 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.456 122.4 -6.1 -64.2 124.5 4.3 -18.9 36.4 23 213 A N T 3 S- 0 0 120 1,-0.2 -1,-0.3 -2,-0.1 6,-0.1 0.935 93.7-162.6 50.1 56.6 4.7 -18.4 32.7 24 214 A D X - 0 0 7 -3,-1.1 3,-2.1 1,-0.1 -1,-0.2 -0.617 20.2-141.8 -75.0 125.3 1.2 -16.9 32.5 25 215 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.457 100.1 60.1 -64.2 -6.1 -0.3 -16.8 29.0 26 216 A R T 3 S+ 0 0 73 20,-0.1 20,-2.6 2,-0.1 21,-0.5 0.658 100.4 64.6 -94.4 -18.1 -1.9 -13.4 29.8 27 217 A Y B < S-A 45 0A 4 -3,-2.1 18,-0.2 18,-0.2 2,-0.2 -0.854 89.5-108.2-116.7 143.2 1.5 -11.7 30.4 28 218 A L - 0 0 5 16,-2.7 16,-0.4 -2,-0.3 2,-0.3 -0.473 36.1-154.3 -67.0 131.1 4.4 -11.1 28.1 29 219 A Q - 0 0 65 -2,-0.2 2,-0.9 14,-0.1 -1,-0.0 -0.751 29.1 -92.9-109.5 153.5 7.4 -13.4 28.9 30 220 A A > - 0 0 52 -2,-0.3 2,-1.2 1,-0.1 3,-0.7 -0.473 37.7-157.1 -72.1 102.5 11.1 -12.6 28.2 31 221 A C T 3 S+ 0 0 121 -2,-0.9 -1,-0.1 21,-0.4 -3,-0.0 -0.655 75.2 17.1 -81.4 99.6 11.8 -14.1 24.8 32 222 A G T 3 S- 0 0 63 -2,-1.2 -1,-0.2 1,-0.1 3,-0.1 0.802 114.7 -78.9 115.0 32.8 15.5 -14.6 24.7 33 223 A G S < S+ 0 0 83 -3,-0.7 2,-0.3 1,-0.2 -2,-0.1 0.598 89.1 130.4 59.9 11.3 17.1 -14.5 28.1 34 224 A E - 0 0 127 1,-0.0 2,-0.4 41,-0.0 -1,-0.2 -0.734 67.4-108.2 -91.8 146.4 17.0 -10.7 28.3 35 225 A K + 0 0 117 -2,-0.3 38,-0.1 1,-0.2 3,-0.1 -0.647 41.8 171.8 -81.1 127.5 15.5 -9.2 31.4 36 226 A L + 0 0 11 -2,-0.4 2,-0.5 1,-0.2 19,-0.2 0.789 56.3 56.7-103.4 -46.6 12.2 -7.7 30.6 37 227 A N - 0 0 26 1,-0.1 -1,-0.2 17,-0.1 3,-0.1 -0.842 60.2-155.1-104.3 129.0 10.5 -6.7 33.9 38 228 A R S S+ 0 0 28 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.744 94.1 34.8 -64.7 -35.1 12.3 -4.3 36.2 39 229 A F S > S- 0 0 67 3,-0.4 3,-1.9 176,-0.1 -1,-0.2 -0.998 85.4-133.9-122.0 129.5 10.3 -5.8 39.0 40 230 A R T 3 S+ 0 0 210 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.800 103.7 43.4 -50.5 -34.9 9.5 -9.5 38.9 41 231 A D T 3 S+ 0 0 98 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.335 92.7 80.7 -98.4 0.7 5.9 -9.0 39.8 42 232 A I < + 0 0 5 -3,-1.9 -3,-0.4 210,-0.1 2,-0.2 -0.897 69.9 172.8-110.6 92.9 5.0 -5.9 37.7 43 233 A Q - 0 0 29 -2,-0.8 2,-0.5 -6,-0.1 -14,-0.1 -0.502 32.5-107.2-106.2 174.7 4.3 -7.6 34.4 44 234 A C - 0 0 0 -16,-0.4 -16,-2.7 -2,-0.2 2,-0.2 -0.887 26.2-121.8-112.8 115.3 3.0 -6.6 31.0 45 235 A R B > -A 27 0A 44 205,-1.5 3,-0.6 -2,-0.5 -18,-0.2 -0.434 25.7-148.3 -57.6 119.1 -0.5 -7.6 29.7 46 236 A R G > S+ 0 0 130 -20,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.894 88.8 58.9 -59.0 -47.8 0.5 -9.4 26.6 47 237 A Q G 3 S+ 0 0 163 -21,-0.5 -1,-0.2 1,-0.3 -20,-0.1 0.746 114.2 35.6 -57.0 -35.2 -2.6 -8.6 24.6 48 238 A T G < S+ 0 0 24 -3,-0.6 10,-2.4 201,-0.1 -1,-0.3 0.226 86.8 136.3-105.7 12.4 -2.0 -4.8 24.9 49 239 A A B < -B 57 0B 18 -3,-1.6 8,-0.2 8,-0.2 3,-0.1 -0.265 45.2-154.7 -62.0 142.0 1.7 -5.0 24.7 50 240 A V S S+ 0 0 30 6,-1.5 2,-0.3 1,-0.4 -1,-0.1 0.893 77.7 6.0 -85.3 -44.4 3.3 -2.4 22.4 51 241 A R > - 0 0 58 5,-0.3 3,-1.4 3,-0.3 -1,-0.4 -0.986 68.0-124.1-137.9 150.9 6.5 -4.4 21.7 52 242 A A T 3 S+ 0 0 66 -2,-0.3 -21,-0.4 1,-0.3 -1,-0.1 0.678 111.8 45.1 -66.1 -23.0 7.7 -7.9 22.5 53 243 A D T 3 S+ 0 0 65 -23,-0.1 2,-0.3 23,-0.1 -1,-0.3 0.207 103.1 71.1-106.6 11.8 10.8 -6.6 24.2 54 244 A L S < S- 0 0 4 -3,-1.4 2,-1.0 2,-0.1 -3,-0.3 -0.941 73.6-132.2-123.5 152.2 9.4 -3.7 26.3 55 245 A N + 0 0 2 -2,-0.3 15,-1.9 -19,-0.2 2,-0.3 -0.886 68.1 118.5-101.7 92.7 7.2 -3.8 29.4 56 246 A A E - C 0 69B 0 -2,-1.0 -6,-1.5 13,-0.2 2,-0.4 -0.968 44.7-157.6-157.5 144.3 4.7 -1.2 28.1 57 247 A N E -BC 49 68B 0 11,-2.5 11,-1.9 -2,-0.3 2,-0.5 -0.949 21.6-125.5-136.6 147.3 1.0 -1.3 27.3 58 248 A Y E - C 0 67B 65 -10,-2.4 2,-0.4 -2,-0.4 9,-0.2 -0.824 37.5-169.4 -79.6 126.8 -1.5 0.6 25.1 59 249 A I E + C 0 66B 0 7,-2.3 7,-2.1 -2,-0.5 2,-0.4 -0.929 15.4 179.6-121.8 148.2 -4.2 1.7 27.5 60 250 A Q E - C 0 65B 64 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.941 1.4-179.4-143.7 119.0 -7.6 3.2 26.6 61 251 A V E > S- C 0 64B 1 3,-2.4 3,-2.3 -2,-0.4 2,-0.3 -0.976 71.1 -49.8-124.9 109.8 -10.0 4.2 29.4 62 252 A G T 3 S- 0 0 30 -2,-0.6 172,-0.1 1,-0.3 166,-0.0 -0.422 126.0 -17.3 63.1-116.2 -13.1 5.5 27.8 63 253 A N T 3 S+ 0 0 62 -2,-0.3 2,-0.6 168,-0.1 -1,-0.3 0.565 113.4 100.3 -96.4 -13.6 -11.8 8.1 25.3 64 254 A T E < -C 61 0B 15 -3,-2.3 -3,-2.4 167,-0.1 2,-0.5 -0.701 50.1-171.2 -88.5 119.2 -8.3 8.5 26.7 65 255 A R E +C 60 0B 75 -2,-0.6 -5,-0.2 -5,-0.2 2,-0.2 -0.954 19.3 146.5-107.7 123.7 -5.6 6.7 24.9 66 256 A T E -C 59 0B 0 -7,-2.1 -7,-2.3 -2,-0.5 2,-0.4 -0.771 43.6-124.3-141.1 177.8 -2.0 6.5 26.4 67 257 A I E -Cd 58 210B 0 142,-2.0 144,-2.4 -9,-0.2 2,-0.4 -0.987 25.5-165.9-124.0 125.3 1.0 4.1 26.6 68 258 A A E +Cd 57 211B 0 -11,-1.9 -11,-2.5 -2,-0.4 2,-0.3 -0.944 19.1 163.0-107.8 135.6 2.0 3.4 30.2 69 259 A C E -Cd 56 212B 2 142,-1.6 144,-0.5 -2,-0.4 -13,-0.2 -0.924 38.1-102.2-146.4 167.6 5.5 1.7 30.6 70 260 A Q - 0 0 6 -15,-1.9 145,-0.3 -2,-0.3 144,-0.1 -0.345 56.2 -83.9 -80.0 170.6 8.2 1.0 33.2 71 261 A Y - 0 0 0 143,-3.2 -1,-0.1 -2,-0.1 -33,-0.1 -0.670 62.9-107.4 -74.3 124.2 11.4 3.1 33.2 72 262 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.298 26.3-123.7 -62.1 138.5 13.4 1.2 30.4 73 263 A L > - 0 0 20 -37,-0.2 3,-2.2 35,-0.1 4,-0.5 -0.408 34.7-100.3 -67.7 157.8 16.3 -0.9 31.6 74 264 A Q G > S+ 0 0 135 1,-0.3 3,-1.3 33,-0.3 4,-0.3 0.888 124.8 54.9 -48.4 -42.0 19.7 0.0 30.0 75 265 A S G 3 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.607 103.7 55.6 -71.5 -11.1 19.3 -2.9 27.6 76 266 A Q G <> S+ 0 0 10 -3,-2.2 4,-2.7 1,-0.1 -1,-0.3 0.495 75.4 101.7 -99.6 -1.5 15.9 -1.7 26.4 77 267 A L H <> S+ 0 0 4 -3,-1.3 4,-3.0 -4,-0.5 5,-0.3 0.871 79.1 49.4 -57.0 -43.2 16.9 1.8 25.3 78 268 A E H > S+ 0 0 56 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.923 115.5 43.6 -65.2 -41.3 17.1 1.2 21.6 79 269 A S H > S+ 0 0 19 -4,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.893 112.4 55.1 -67.7 -36.5 13.6 -0.5 21.5 80 270 A H H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.965 109.4 44.9 -62.3 -52.1 12.3 2.3 23.8 81 271 A F H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.779 111.3 55.2 -64.1 -25.3 13.4 5.1 21.4 82 272 A R H X S+ 0 0 52 -4,-1.6 4,-2.8 -5,-0.3 5,-0.3 0.903 107.7 49.1 -70.4 -40.7 12.0 3.0 18.5 83 273 A M H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.932 111.8 48.1 -60.2 -45.4 8.6 2.9 20.3 84 274 A L H <>S+ 0 0 0 -4,-2.2 5,-2.0 -5,-0.2 4,-0.4 0.937 115.3 46.2 -64.2 -39.5 8.8 6.7 20.9 85 275 A A H ><5S+ 0 0 18 -4,-2.0 3,-1.6 2,-0.2 -2,-0.2 0.965 114.2 43.8 -68.0 -50.7 9.7 7.2 17.2 86 276 A E H 3<5S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.876 111.4 54.9 -65.9 -34.6 7.1 5.0 15.6 87 277 A N T 3<5S- 0 0 8 -4,-2.0 120,-3.1 -5,-0.3 121,-0.3 0.639 103.3-134.8 -71.9 -11.4 4.4 6.2 17.9 88 278 A R T < 5 - 0 0 49 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.941 31.6-137.4 55.9 46.9 5.2 9.9 16.7 89 279 A T < - 0 0 0 -5,-2.0 -1,-0.2 -6,-0.2 3,-0.1 -0.095 25.9-167.0 -51.9 112.8 5.1 10.7 20.4 90 280 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 99,-0.2 0.786 75.9 -3.8 -70.7 -28.4 3.2 13.9 21.1 91 281 A V - 0 0 0 117,-0.3 119,-2.2 65,-0.1 2,-0.5 -0.922 57.2-154.6-163.0 135.7 4.5 14.1 24.8 92 282 A L E -ef 158 210B 0 65,-2.3 67,-2.9 -2,-0.3 2,-0.6 -0.984 14.1-159.4-113.5 121.1 6.5 11.9 27.0 93 283 A A E -ef 159 211B 0 117,-2.6 119,-2.3 -2,-0.5 2,-0.6 -0.892 4.6-168.4-100.1 115.9 5.8 12.4 30.7 94 284 A V E +ef 160 212B 0 65,-2.6 67,-2.3 -2,-0.6 119,-0.2 -0.923 7.6 179.3-106.5 119.3 8.6 11.1 33.0 95 285 A L + 0 0 1 117,-2.8 2,-0.4 -2,-0.6 118,-0.2 0.257 48.7 101.8-104.1 10.8 7.4 11.0 36.6 96 286 A A S S- 0 0 0 116,-0.4 65,-0.1 117,-0.3 68,-0.1 -0.812 73.6-121.9 -91.3 140.5 10.5 9.7 38.3 97 287 A S >> - 0 0 0 -2,-0.4 4,-2.3 67,-0.2 3,-0.6 -0.284 17.4-109.9 -81.5 167.9 12.6 12.4 40.0 98 288 A S H 3> S+ 0 0 32 64,-2.2 4,-2.6 1,-0.2 5,-0.2 0.890 119.4 56.8 -61.0 -31.3 16.2 13.5 39.3 99 289 A S H 3> S+ 0 0 72 63,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.834 108.4 46.8 -68.8 -32.3 17.1 12.0 42.8 100 290 A E H X4 S+ 0 0 15 -3,-0.6 3,-0.7 2,-0.2 6,-0.3 0.924 113.2 48.6 -75.5 -39.6 15.7 8.7 41.8 101 291 A I H 3< S+ 0 0 13 -4,-2.3 7,-0.4 1,-0.2 -2,-0.2 0.894 110.2 51.4 -66.3 -38.6 17.5 8.8 38.4 102 292 A A H 3< S+ 0 0 78 -4,-2.6 2,-1.1 -5,-0.2 -1,-0.2 0.673 86.2 91.9 -78.2 -12.1 20.8 9.7 40.0 103 293 A N X< - 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