==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-JUL-12 4FZ7 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE SYK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,M.SLADE . 265 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 17.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 1 0 1 1 0 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 1 3 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 . 2 0 1 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 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 1 363 A V 0 0 75 0, 0.0 69,-2.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -26.7 21.8 -1.1 11.2 2 364 A Y B -a 70 0A 177 67,-0.2 69,-0.2 69,-0.0 2,-0.1 -0.751 360.0-156.1 -86.0 117.8 21.5 -3.0 7.8 3 365 A L - 0 0 34 67,-2.9 2,-0.6 -2,-0.6 69,-0.3 -0.457 18.0-109.3 -97.7 161.9 19.4 -6.2 8.2 4 366 A D > - 0 0 49 -2,-0.1 3,-2.2 1,-0.1 4,-0.3 -0.795 12.9-149.0 -96.6 117.7 19.3 -9.4 6.2 5 367 A R G > S+ 0 0 74 -2,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.840 97.9 65.2 -54.2 -32.4 16.2 -9.9 4.0 6 368 A K G 3 S+ 0 0 177 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.773 99.5 51.3 -56.0 -32.1 16.7 -13.7 4.6 7 369 A L G < S+ 0 0 66 -3,-2.2 21,-2.8 21,-0.1 2,-0.5 0.386 95.7 84.0 -97.1 6.0 16.1 -13.3 8.2 8 370 A L E < -B 27 0A 6 -3,-1.8 2,-0.5 -4,-0.3 19,-0.2 -0.922 53.1-172.7-113.4 124.4 12.8 -11.4 7.8 9 371 A T E -B 26 0A 91 17,-2.6 17,-1.9 -2,-0.5 2,-0.4 -0.976 12.2-163.2-115.5 117.6 9.5 -13.2 7.3 10 372 A L E -B 25 0A 39 -2,-0.5 15,-0.3 15,-0.2 2,-0.2 -0.804 15.1-126.5-100.9 140.3 6.6 -10.8 6.6 11 373 A E E - 0 0 65 13,-3.0 13,-0.1 -2,-0.4 -1,-0.0 -0.537 14.9-130.4 -76.7 148.6 2.9 -11.7 6.8 12 374 A D E S+ 0 0 147 -2,-0.2 -1,-0.1 11,-0.1 -2,-0.0 0.897 83.2 94.5 -63.5 -42.5 0.7 -11.1 3.8 13 375 A K E S- 0 0 139 1,-0.1 11,-0.7 2,-0.0 2,-0.3 -0.289 75.2-134.4 -50.8 125.1 -1.9 -9.2 6.0 14 376 A E E -B 23 0A 90 1,-0.1 9,-0.2 9,-0.1 3,-0.1 -0.674 7.1-156.6 -73.0 138.1 -1.4 -5.4 6.0 15 377 A L E - 0 0 78 7,-3.4 2,-0.3 1,-0.4 8,-0.2 0.817 63.9 -67.3 -82.2 -32.8 -1.6 -3.9 9.5 16 378 A G E B 22 0A 28 6,-1.4 6,-1.8 -3,-0.1 -1,-0.4 -0.943 360.0 360.0 172.4-151.4 -2.5 -0.6 8.0 17 379 A S 0 0 115 -2,-0.3 3,-0.6 4,-0.3 -1,-0.1 0.473 360.0 360.0-156.4 360.0 -1.2 2.2 5.9 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 382 A F 0 0 95 0, 0.0 2,-0.3 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 -37.7 4.8 6.3 2.8 20 383 A G - 0 0 23 -3,-0.6 2,-0.3 21,-0.3 21,-0.2 -0.914 360.0 -16.2 147.5-116.5 3.2 2.9 2.1 21 384 A T E - C 0 40A 28 19,-2.5 19,-3.1 -2,-0.3 2,-0.5 -0.889 35.8-139.0-132.8 154.5 2.2 0.1 4.4 22 385 A V E +BC 16 39A 35 -6,-1.8 -7,-3.4 -2,-0.3 -6,-1.4 -0.983 31.0 179.3-109.3 119.3 2.8 -1.3 7.9 23 386 A K E -BC 14 38A 34 15,-2.3 15,-3.1 -2,-0.5 2,-0.3 -0.914 26.9-121.7-116.2 152.8 3.1 -5.1 7.9 24 387 A K E + C 0 37A 39 -11,-0.7 -13,-3.0 -2,-0.4 2,-0.3 -0.704 41.5 157.3 -84.1 145.3 3.8 -7.5 10.7 25 388 A G E -BC 10 36A 0 11,-2.4 11,-2.8 -2,-0.3 2,-0.4 -0.865 35.1-125.7-154.3 174.9 6.8 -9.7 10.5 26 389 A Y E -BC 9 35A 88 -17,-1.9 -17,-2.6 9,-0.3 2,-0.4 -0.984 19.6-154.5-131.6 144.3 9.3 -11.8 12.6 27 390 A Y E -BC 8 34A 21 7,-2.9 7,-2.5 -2,-0.4 2,-0.6 -0.983 17.6-126.7-123.0 128.8 13.0 -11.3 12.4 28 391 A Q E - C 0 33A 75 -21,-2.8 5,-0.2 -2,-0.4 2,-0.1 -0.576 32.1-173.6 -72.9 113.4 15.5 -14.0 13.3 29 392 A M - 0 0 22 3,-2.4 -1,-0.0 -2,-0.6 5,-0.0 -0.224 51.0 -73.4 -94.2-167.1 17.9 -12.6 16.0 30 393 A K S S- 0 0 188 1,-0.1 3,-0.1 -2,-0.1 -2,-0.1 0.853 121.2 -14.6 -63.9 -27.2 21.0 -14.5 17.3 31 394 A K S S+ 0 0 183 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.557 126.5 54.6-133.7 -64.4 18.7 -16.9 19.2 32 395 A V S S- 0 0 95 -4,-0.1 -3,-2.4 1,-0.0 2,-0.4 -0.279 74.5-122.8 -71.9 160.6 15.1 -15.7 19.6 33 396 A V E -C 28 0A 82 -5,-0.2 2,-0.5 -3,-0.1 -5,-0.2 -0.881 29.1-149.8 -92.1 139.0 12.8 -14.7 16.8 34 397 A K E -C 27 0A 57 -7,-2.5 -7,-2.9 -2,-0.4 2,-0.2 -0.972 10.8-128.3-114.6 129.4 11.5 -11.1 17.4 35 398 A T E -C 26 0A 45 -2,-0.5 47,-1.4 -9,-0.2 2,-0.3 -0.590 37.5-170.2 -71.6 139.3 8.1 -10.0 16.2 36 399 A V E -CD 25 81A 0 -11,-2.8 -11,-2.4 -2,-0.2 2,-0.5 -0.906 29.3-138.6-135.4 156.3 8.4 -6.7 14.2 37 400 A A E -CD 24 80A 12 43,-2.6 43,-2.8 -2,-0.3 2,-0.5 -0.962 28.8-159.3-111.8 129.8 6.4 -4.0 12.7 38 401 A V E -CD 23 79A 0 -15,-3.1 -15,-2.3 -2,-0.5 2,-0.6 -0.965 12.0-150.7-119.8 120.9 7.8 -3.1 9.3 39 402 A K E -CD 22 78A 11 39,-3.1 39,-2.5 -2,-0.5 2,-0.5 -0.841 20.7-166.6 -86.5 122.3 7.2 0.2 7.4 40 403 A I E CD 21 77A 19 -19,-3.1 -19,-2.5 -2,-0.6 37,-0.2 -0.963 360.0 360.0-120.6 122.1 7.4 -0.6 3.7 41 404 A L 0 0 53 35,-1.9 -21,-0.3 -2,-0.5 5,-0.0 -0.233 360.0 360.0 -65.7 360.0 7.7 2.2 1.2 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 411 A P > 0 0 135 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -70.6 13.3 10.0 -4.3 44 412 A A H > + 0 0 53 1,-0.2 4,-1.1 2,-0.2 5,-0.0 0.637 360.0 58.7 -71.2 -17.5 12.1 12.1 -1.4 45 413 A L H > S+ 0 0 77 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.827 105.0 48.0 -85.2 -33.1 10.3 9.2 0.2 46 414 A K H > S+ 0 0 84 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.950 112.3 48.7 -67.1 -52.0 13.5 7.0 0.5 47 415 A D H X S+ 0 0 101 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.836 111.4 51.7 -58.9 -35.5 15.5 9.8 2.0 48 416 A E H X S+ 0 0 103 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.908 109.4 48.2 -67.8 -46.5 12.7 10.5 4.5 49 417 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.934 114.3 47.1 -55.4 -48.6 12.6 6.8 5.5 50 418 A L H X S+ 0 0 49 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.885 110.8 51.3 -64.1 -42.1 16.4 6.9 5.9 51 419 A A H X S+ 0 0 57 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.906 110.7 50.4 -59.4 -43.3 16.3 10.2 7.9 52 420 A E H X S+ 0 0 13 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.906 110.2 48.3 -59.0 -44.5 13.6 8.6 10.2 53 421 A A H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.917 108.0 56.5 -65.3 -37.8 15.8 5.6 10.7 54 422 A N H X S+ 0 0 88 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.864 109.3 45.4 -60.9 -41.3 18.7 7.9 11.5 55 423 A V H >< S+ 0 0 10 -4,-2.0 3,-1.4 2,-0.2 4,-0.4 0.955 112.9 49.6 -62.1 -51.5 16.7 9.6 14.3 56 424 A M H >< S+ 0 0 6 -4,-2.5 3,-1.4 1,-0.3 11,-0.3 0.843 102.3 62.4 -64.2 -31.8 15.5 6.3 15.8 57 425 A Q H 3< S+ 0 0 117 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.832 102.5 52.0 -56.1 -35.6 19.0 4.9 15.8 58 426 A Q T << S+ 0 0 104 -3,-1.4 2,-0.4 -4,-0.7 -1,-0.3 0.545 96.5 83.6 -80.3 -10.2 20.0 7.7 18.2 59 427 A L < + 0 0 17 -3,-1.4 2,-0.3 -4,-0.4 8,-0.2 -0.771 42.4 170.5-106.9 142.6 17.2 7.0 20.8 60 428 A D + 0 0 142 -2,-0.4 5,-0.1 6,-0.1 6,-0.0 -0.820 27.2 126.5-151.4 96.0 17.1 4.5 23.6 61 429 A N > - 0 0 32 3,-0.4 3,-1.9 -2,-0.3 52,-0.1 -0.977 62.3-121.8-154.4 142.1 14.3 4.8 26.1 62 430 A P T 3 S+ 0 0 68 0, 0.0 4,-0.1 0, 0.0 51,-0.1 0.678 113.2 51.7 -60.9 -16.8 11.6 2.4 27.4 63 431 A Y T 3 S+ 0 0 52 78,-0.1 79,-3.0 49,-0.1 2,-0.4 0.141 97.8 76.0-106.2 17.0 8.9 4.8 26.1 64 432 A I B < S-f 142 0B 6 -3,-1.9 -3,-0.4 77,-0.3 79,-0.2 -0.996 89.8-106.9-130.3 129.1 10.2 5.2 22.6 65 433 A V - 0 0 5 77,-3.0 2,-0.4 -2,-0.4 -6,-0.1 -0.331 36.1-132.2 -56.6 131.3 9.8 2.5 19.9 66 434 A R - 0 0 121 -4,-0.1 15,-2.3 -6,-0.0 2,-0.5 -0.697 10.3-137.9 -86.1 132.4 13.1 0.8 19.2 67 435 A M E - E 0 80A 19 -2,-0.4 13,-0.3 -11,-0.3 3,-0.1 -0.800 10.1-165.9 -83.7 132.3 14.3 0.4 15.6 68 436 A I E - 0 0 22 11,-1.9 2,-0.3 -2,-0.5 12,-0.2 0.906 57.1 -87.5 -79.3 -42.6 15.9 -3.0 14.8 69 437 A G E - E 0 79A 0 10,-1.7 10,-2.8 -67,-0.0 -1,-0.3 -0.987 40.8 -74.2 161.6-162.8 17.3 -1.7 11.5 70 438 A I E -aE 2 78A 8 -69,-2.8 -67,-2.9 -2,-0.3 2,-0.4 -0.868 29.3-164.5-127.5 153.7 16.6 -1.1 7.8 71 439 A C E - E 0 77A 6 6,-2.1 6,-2.6 -2,-0.3 2,-0.7 -0.989 11.8-151.6-141.3 133.7 16.5 -3.4 4.8 72 440 A E E + E 0 76A 139 -2,-0.4 4,-0.2 -69,-0.3 -67,-0.1 -0.893 52.2 113.0-102.2 104.7 16.7 -2.7 1.1 73 441 A A S S- 0 0 39 2,-2.5 3,-0.1 -2,-0.7 -1,-0.0 -0.030 85.8 -7.6-136.5-117.9 14.8 -5.4 -0.7 74 442 A E S S- 0 0 143 1,-0.1 2,-0.2 -2,-0.1 -2,-0.1 0.944 142.5 -17.2 -52.5 -46.9 11.5 -5.4 -2.7 75 443 A S S S- 0 0 40 -4,-0.1 -2,-2.5 0, 0.0 2,-0.3 -0.795 97.2 -70.6-134.0-177.0 11.3 -1.7 -1.3 76 444 A W E - E 0 72A 29 -2,-0.2 -35,-1.9 -4,-0.2 2,-0.4 -0.625 55.4-162.8 -74.1 138.8 13.1 0.1 1.5 77 445 A M E -DE 40 71A 2 -6,-2.6 -6,-2.1 -2,-0.3 2,-0.6 -0.974 19.0-153.4-132.6 139.3 11.9 -1.2 4.9 78 446 A L E -DE 39 70A 0 -39,-2.5 -39,-3.1 -2,-0.4 2,-0.5 -0.970 19.4-157.2-113.8 113.7 12.1 0.2 8.4 79 447 A V E +DE 38 69A 1 -10,-2.8 -11,-1.9 -2,-0.6 -10,-1.7 -0.847 19.1 168.3-101.2 123.3 12.0 -2.7 10.9 80 448 A M E -DE 37 67A 15 -43,-2.8 -43,-2.6 -2,-0.5 -13,-0.2 -0.888 44.7 -85.3-129.3 160.2 10.9 -1.8 14.4 81 449 A E E -D 36 0A 27 -15,-2.3 2,-0.5 -2,-0.3 -45,-0.2 -0.379 55.9-109.8 -60.2 146.5 9.8 -3.8 17.5 82 450 A M - 0 0 23 -47,-1.4 2,-0.9 -46,-0.1 -47,-0.1 -0.729 19.7-157.2 -86.9 127.7 6.2 -4.6 17.2 83 451 A A > - 0 0 8 -2,-0.5 3,-1.7 1,-0.1 51,-0.3 -0.878 20.1-158.7 -97.9 95.6 3.8 -2.7 19.6 84 452 A E T 3 S+ 0 0 99 -2,-0.9 51,-0.2 51,-0.3 -1,-0.1 0.740 79.2 53.1 -52.7 -36.4 1.0 -5.4 19.3 85 453 A L T 3 S- 0 0 64 49,-2.0 -1,-0.3 1,-0.2 50,-0.2 0.560 98.9-146.4 -85.1 -6.5 -2.1 -3.4 20.4 86 454 A G E < +G 134 0B 14 -3,-1.7 48,-2.4 48,-0.7 -1,-0.2 -0.135 44.8 1.1 79.2-170.3 -1.5 -0.7 17.9 87 455 A P E > -G 133 0B 26 0, 0.0 4,-2.2 0, 0.0 46,-0.3 -0.172 61.3-129.1 -59.1 141.7 -2.1 3.1 18.0 88 456 A L H > S+ 0 0 2 44,-3.0 4,-2.7 41,-0.9 5,-0.3 0.840 103.4 56.2 -61.2 -42.0 -3.7 4.6 21.1 89 457 A N H > S+ 0 0 26 40,-0.9 4,-1.9 43,-0.2 -1,-0.2 0.958 111.4 42.9 -62.3 -47.2 -6.5 6.5 19.4 90 458 A K H > S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 113.3 55.0 -61.5 -38.9 -7.8 3.4 17.7 91 459 A Y H X S+ 0 0 37 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.921 110.4 42.9 -60.7 -46.6 -7.4 1.4 20.9 92 460 A L H < S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.6 55.2 -71.5 -30.3 -9.4 3.8 23.0 93 461 A Q H < S+ 0 0 73 -4,-1.9 3,-0.3 -5,-0.3 -1,-0.2 0.864 115.5 39.9 -63.6 -37.8 -12.1 4.1 20.3 94 462 A Q H < S+ 0 0 148 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.531 121.1 43.1 -89.0 -8.9 -12.4 0.3 20.4 95 463 A N >< + 0 0 42 -4,-0.9 3,-1.6 -5,-0.1 -1,-0.2 -0.579 59.4 164.8-140.9 72.4 -12.2 -0.0 24.2 96 464 A R T 3 + 0 0 147 -3,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.518 68.5 72.9 -74.2 -5.5 -14.3 2.7 25.8 97 465 A H T 3 + 0 0 124 2,-0.1 -1,-0.3 0, 0.0 -5,-0.1 0.521 63.5 124.3 -82.3 -8.8 -14.2 0.9 29.2 98 466 A V < - 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