==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-AUG-98 1GWZ . COMPND 2 MOLECULE: SHP-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.YANG,X.LIANG,T.NIU,W.MENG,Z.ZHAO,G.W.ZHOU . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 10.0 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 . 2 0.7 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 0.4 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 . 30 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 20.7 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+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 1 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 1 250 A F 0 0 149 0, 0.0 2,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-168.2 -18.5 -17.6 1.5 2 251 A E - 0 0 125 2,-0.4 0, 0.0 1,-0.0 0, 0.0 -0.972 360.0 -54.8 172.4-163.5 -17.7 -20.4 -1.0 3 252 A S S S+ 0 0 88 -2,-0.3 2,-1.4 1,-0.1 -1,-0.0 0.576 106.1 110.1 -74.5 -8.5 -15.3 -21.4 -3.6 4 253 A L + 0 0 128 2,-0.1 -2,-0.4 1,-0.0 2,-0.3 -0.559 46.3 144.5 -68.1 94.2 -16.5 -18.0 -4.7 5 254 A Q - 0 0 135 -2,-1.4 2,-1.5 -4,-0.1 -1,-0.0 -0.834 53.3-133.5-148.1 106.7 -13.1 -16.3 -3.9 6 255 A K - 0 0 149 -2,-0.3 2,-1.2 1,-0.1 -2,-0.1 -0.351 24.8-141.5 -59.8 87.5 -11.5 -13.5 -5.8 7 256 A Q - 0 0 156 -2,-1.5 2,-1.4 1,-0.1 -1,-0.1 -0.321 20.7-166.8 -53.9 92.0 -8.0 -14.9 -6.2 8 257 A E > - 0 0 124 -2,-1.2 3,-0.5 3,-0.0 2,-0.3 -0.674 3.8-171.0 -91.2 87.0 -6.3 -11.5 -5.6 9 258 A V T 3 S- 0 0 78 -2,-1.4 -2,-0.0 1,-0.3 -3,-0.0 -0.636 77.9 -1.4 -76.3 133.0 -2.8 -12.3 -6.7 10 259 A K T 3 S- 0 0 141 -2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.954 80.8-167.4 44.3 76.0 -0.6 -9.3 -5.8 11 260 A N < + 0 0 92 -3,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.455 66.6 44.7 -75.1 1.8 -3.7 -7.5 -4.4 12 261 A L + 0 0 8 1,-0.1 -1,-0.2 232,-0.1 23,-0.1 -0.763 33.5 135.2-159.7 115.0 -1.6 -4.3 -4.4 13 262 A H + 0 0 130 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.267 58.5 133.6-120.6 -4.2 0.8 -2.5 -6.6 14 263 A Q + 0 0 66 -3,-0.1 22,-1.3 21,-0.1 23,-0.4 -0.059 25.5 160.2 -52.1 142.1 -1.2 0.6 -5.6 15 264 A R + 0 0 58 20,-0.3 -1,-0.1 21,-0.1 20,-0.1 -0.023 29.1 122.9-159.7 44.2 0.3 3.9 -4.4 16 265 A L >> + 0 0 107 1,-0.1 3,-1.8 2,-0.1 4,-0.8 0.762 63.4 72.7 -80.0 -30.8 -2.2 6.8 -4.8 17 266 A E G >4 S+ 0 0 32 1,-0.3 3,-1.4 2,-0.2 6,-0.2 0.932 99.2 43.3 -50.9 -57.9 -2.2 7.9 -1.1 18 267 A G G 34 S+ 0 0 7 16,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.154 106.9 64.9 -78.6 22.0 1.2 9.5 -1.2 19 268 A Q G <4 S+ 0 0 98 -3,-1.8 -1,-0.3 14,-0.0 -2,-0.2 0.504 70.1 116.9-113.7 -18.4 0.4 11.1 -4.5 20 269 A R S X< S- 0 0 105 -3,-1.4 3,-0.9 -4,-0.8 4,-0.3 -0.191 78.5-121.0 -45.1 144.9 -2.3 13.2 -3.0 21 270 A P G > S+ 0 0 101 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.827 108.4 62.3 -63.5 -30.9 -1.1 16.8 -3.5 22 271 A E G 3 S+ 0 0 93 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.679 97.0 58.5 -68.4 -21.8 -1.2 17.5 0.2 23 272 A N G X S+ 0 0 0 -3,-0.9 3,-0.8 -6,-0.2 -1,-0.2 0.537 72.0 103.4 -86.3 -9.3 1.4 14.9 1.0 24 273 A K G X S+ 0 0 175 -3,-1.1 3,-1.2 -4,-0.3 -1,-0.2 0.873 86.6 42.6 -40.0 -50.8 4.0 16.5 -1.3 25 274 A G G 3 S+ 0 0 48 -3,-0.4 -1,-0.3 1,-0.3 58,-0.2 0.835 105.3 65.6 -67.5 -32.1 5.8 17.9 1.7 26 275 A K G < S+ 0 0 38 -3,-0.8 30,-0.4 -4,-0.3 2,-0.3 0.210 96.0 67.0 -75.7 15.7 5.4 14.6 3.6 27 276 A N < - 0 0 20 -3,-1.2 3,-0.1 -4,-0.2 6,-0.1 -0.984 63.2-155.1-134.2 146.2 7.7 12.7 1.1 28 277 A R S S+ 0 0 51 -2,-0.3 2,-0.3 4,-0.3 -1,-0.1 0.635 81.8 25.3 -96.2 -14.4 11.4 13.1 0.5 29 278 A Y S S- 0 0 97 3,-0.3 -1,-0.2 1,-0.1 0, 0.0 -0.976 72.6-128.9-143.7 154.8 11.5 11.8 -3.1 30 279 A K S S+ 0 0 164 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.902 102.7 36.2 -73.8 -44.6 8.9 11.6 -5.8 31 280 A N S S+ 0 0 109 1,-0.2 2,-1.4 2,-0.0 -1,-0.2 0.698 99.4 83.4 -82.2 -23.2 9.0 8.0 -7.0 32 281 A I + 0 0 24 216,-0.0 -3,-0.3 2,-0.0 -4,-0.3 -0.588 60.7 134.2 -88.1 78.0 9.7 6.5 -3.6 33 282 A L - 0 0 5 -2,-1.4 2,-0.4 -6,-0.1 214,-0.2 -0.699 53.3 -94.4-117.8 172.9 6.2 6.2 -1.9 34 283 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 -17,-0.2 -0.747 36.4-108.2 -93.0 135.6 4.3 3.5 0.1 35 284 A F >> - 0 0 22 210,-0.5 3,-2.0 -2,-0.4 4,-1.9 -0.318 25.5-132.0 -59.0 125.7 1.8 0.9 -1.3 36 285 A D T 34 S+ 0 0 30 -22,-1.3 -1,-0.2 1,-0.3 -21,-0.1 0.745 105.9 56.3 -55.1 -20.3 -1.6 1.9 -0.1 37 286 A H T 34 S+ 0 0 66 -23,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.693 119.0 27.0 -87.4 -19.5 -2.1 -1.7 0.9 38 287 A S T <4 S+ 0 0 12 -3,-2.0 21,-2.6 207,-0.2 -2,-0.2 0.361 93.4 121.5-121.2 2.3 0.9 -1.9 3.2 39 288 A R B < -A 58 0A 20 -4,-1.9 2,-0.9 19,-0.2 19,-0.3 -0.377 67.3-120.8 -66.5 138.2 1.0 1.8 4.2 40 289 A V - 0 0 0 17,-2.1 2,-0.3 15,-0.2 15,-0.2 -0.769 28.0-144.6 -91.9 109.2 0.7 2.6 7.9 41 290 A I - 0 0 82 -2,-0.9 2,-0.3 13,-0.1 13,-0.2 -0.564 12.0-124.9 -73.6 124.4 -2.3 4.9 8.3 42 291 A L - 0 0 5 11,-3.1 2,-0.1 -2,-0.3 3,-0.1 -0.524 25.5-150.0 -73.0 127.5 -2.1 7.6 11.0 43 292 A Q S S+ 0 0 109 -2,-0.3 2,-1.0 47,-0.2 3,-0.1 -0.411 72.7 42.6 -90.2 173.6 -5.0 7.4 13.4 44 293 A G S S+ 0 0 81 1,-0.2 -1,-0.2 -2,-0.1 9,-0.1 -0.295 84.0 122.9 88.4 -50.5 -6.4 10.3 15.2 45 294 A R S S- 0 0 85 -2,-1.0 2,-0.6 7,-0.1 -1,-0.2 0.200 71.6 -87.9 -43.5 160.8 -6.4 12.6 12.1 46 295 A D > - 0 0 87 1,-0.1 3,-2.7 -3,-0.1 6,-0.3 -0.670 19.2-146.1 -85.2 117.3 -9.5 14.4 10.7 47 296 A S T 3 S+ 0 0 108 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.653 101.7 56.3 -50.9 -15.4 -11.5 12.4 8.1 48 297 A N T 3 S+ 0 0 126 1,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.117 85.5 84.8-110.7 21.5 -12.1 15.8 6.6 49 298 A I S X S- 0 0 96 -3,-2.7 3,-2.2 1,-0.2 4,-0.3 -0.981 85.7-113.9-125.2 119.2 -8.5 17.1 6.0 50 299 A P T 3 S- 0 0 77 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.606 97.5 -0.1 -8.8 -92.0 -6.9 15.9 2.7 51 300 A G T > S+ 0 0 1 1,-0.2 3,-2.1 -3,-0.1 -4,-0.1 -0.072 86.7 139.0-108.0 36.0 -4.0 13.6 3.4 52 301 A S T < + 0 0 15 -3,-2.2 -1,-0.2 -6,-0.3 -7,-0.1 0.818 68.0 50.8 -46.0 -45.9 -4.4 13.8 7.2 53 302 A D T 3 S+ 0 0 35 -4,-0.3 -11,-3.1 -3,-0.3 2,-0.3 0.265 90.3 127.4 -83.0 16.4 -3.8 10.1 7.9 54 303 A Y < + 0 0 0 -3,-2.1 2,-0.3 -13,-0.2 -13,-0.1 -0.616 20.7 147.9 -97.5 143.3 -0.5 9.9 5.8 55 304 A I - 0 0 14 -2,-0.3 2,-1.6 -15,-0.2 -15,-0.2 -0.966 47.2-121.1-154.7 137.8 3.0 8.8 6.4 56 305 A N S S+ 0 0 2 -30,-0.4 22,-1.5 -2,-0.3 2,-0.3 -0.647 76.6 105.3 -86.1 81.2 5.5 7.3 4.0 57 306 A A E - B 0 77A 0 -2,-1.6 -17,-2.1 20,-0.2 2,-0.3 -0.967 48.7-159.6-156.1 152.9 6.0 4.0 6.0 58 307 A N E -AB 39 76A 0 18,-2.3 18,-3.0 -2,-0.3 -19,-0.2 -0.984 20.1-115.7-140.7 152.4 4.9 0.4 5.5 59 308 A Y E - B 0 75A 75 -21,-2.6 2,-0.3 -2,-0.3 16,-0.2 -0.358 35.6-166.3 -77.5 164.9 4.4 -2.7 7.6 60 309 A I E + B 0 74A 0 14,-1.4 14,-1.2 -2,-0.1 2,-0.3 -0.993 19.7 149.3-157.9 146.6 6.5 -5.8 6.8 61 310 A K - 0 0 57 -2,-0.3 12,-0.1 1,-0.3 3,-0.1 -0.940 57.7 -89.9-169.9 153.7 6.8 -9.6 7.5 62 311 A N S S- 0 0 51 10,-0.4 2,-0.3 -2,-0.3 -1,-0.3 0.875 104.0 -29.9 -34.4 -83.1 8.1 -12.7 5.7 63 312 A Q S S- 0 0 130 2,-0.3 -1,-0.2 -3,-0.1 8,-0.1 -0.935 74.9 -89.4-135.8 163.1 4.7 -13.3 4.2 64 313 A L S S+ 0 0 120 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.664 106.1 24.5 -42.6 -20.7 1.2 -12.5 5.3 65 314 A L S S+ 0 0 82 -4,-0.1 -2,-0.3 5,-0.0 5,-0.0 -0.905 78.1 58.7-146.2 170.6 1.0 -15.9 7.1 66 315 A G + 0 0 56 -2,-0.3 5,-0.1 2,-0.1 -2,-0.0 -0.892 55.6 47.3 129.6-155.2 2.8 -18.8 8.8 67 316 A P S > S- 0 0 79 0, 0.0 4,-1.0 0, 0.0 -1,-0.0 0.399 92.1 -7.2 -32.9 157.2 5.2 -19.9 11.7 68 317 A D T 4 S- 0 0 100 2,-0.1 3,-0.2 3,-0.1 -2,-0.1 0.002 118.0 -33.3 45.4-151.7 5.3 -19.1 15.4 69 318 A E T 4 S- 0 0 144 1,-0.2 2,-1.2 0, 0.0 3,-0.1 -0.072 118.3 -42.3 -73.2-165.0 3.0 -16.4 16.5 70 319 A N T 4 S- 0 0 132 1,-0.1 -1,-0.2 -9,-0.0 3,-0.2 -0.509 89.7-109.7 -63.6 101.7 2.6 -14.0 13.7 71 320 A A < - 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