==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 03-AUG-12 4GFG . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE SYK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.LUKACS,M.SLADE . 277 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 17.3 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 . 3 1.1 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 . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 30.7 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 2 0 0 1 1 0 0 0 1 0 1 0 0 1 1 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 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 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 85 0, 0.0 75,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -35.0 21.7 -1.0 11.3 2 364 A Y B -a 76 0A 156 73,-0.2 2,-0.2 75,-0.0 75,-0.2 -0.694 360.0-151.8 -86.3 139.4 21.4 -3.0 8.1 3 365 A L - 0 0 35 73,-2.2 2,-0.8 -2,-0.3 75,-0.3 -0.715 19.9-104.9-116.8 159.8 19.6 -6.3 8.4 4 366 A D > - 0 0 56 -2,-0.2 3,-2.4 1,-0.2 4,-0.5 -0.744 21.5-151.3 -88.7 109.0 19.7 -9.6 6.5 5 367 A R G > S+ 0 0 80 -2,-0.8 3,-1.1 1,-0.3 -1,-0.2 0.768 95.1 63.1 -49.3 -30.4 16.6 -10.0 4.4 6 368 A K G 3 S+ 0 0 169 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.128 98.3 55.0 -88.5 21.9 16.8 -13.7 4.8 7 369 A L G < S+ 0 0 58 -3,-2.4 22,-2.4 21,-0.0 2,-0.5 0.340 93.9 86.7-118.4 -3.9 16.2 -13.4 8.5 8 370 A L E < -B 28 0A 12 -3,-1.1 2,-0.6 -4,-0.5 20,-0.2 -0.841 55.4-169.6-103.8 127.9 13.0 -11.5 8.1 9 371 A T E -B 27 0A 87 18,-2.8 18,-2.0 -2,-0.5 2,-0.2 -0.936 9.1-162.4-118.0 111.4 9.6 -13.2 7.6 10 372 A L E -B 26 0A 35 -2,-0.6 2,-0.5 16,-0.2 16,-0.2 -0.541 13.9-131.2 -85.9 154.2 6.7 -10.9 6.6 11 373 A E E - 0 0 53 14,-2.0 14,-0.3 2,-0.3 -2,-0.0 -0.924 14.7-131.2-107.6 132.1 3.1 -11.8 6.9 12 374 A D E S+ 0 0 162 -2,-0.5 2,-0.3 12,-0.1 -1,-0.1 0.695 84.5 98.9 -49.9 -18.8 0.8 -11.3 4.0 13 375 A K E - 0 0 134 12,-0.1 12,-0.9 1,-0.0 2,-0.3 -0.538 68.7-141.6 -82.9 135.7 -1.5 -9.6 6.5 14 376 A E E -B 24 0A 104 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.727 17.8-178.9 -97.6 142.6 -1.5 -5.8 6.7 15 377 A L E - 0 0 84 8,-3.0 2,-0.2 -2,-0.3 9,-0.2 0.766 62.1 -13.3-107.0 -39.5 -1.8 -4.0 10.1 16 378 A G E -B 23 0A 26 7,-1.9 7,-1.4 2,-0.0 2,-0.3 -0.803 54.7-142.1-150.6-171.3 -1.8 -0.3 9.2 17 379 A S E +B 22 0A 92 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.978 14.8 167.5-163.7 149.0 -1.2 2.4 6.5 18 380 A G E > -B 21 0A 20 3,-1.7 3,-3.8 -2,-0.3 2,-1.3 -0.944 54.5 -94.1-161.8 152.8 0.1 5.8 5.9 19 381 A N T 3 S+ 0 0 144 1,-0.3 3,-0.1 -2,-0.3 23,-0.0 0.260 121.4 65.5 -64.4 20.2 1.0 7.8 2.7 20 382 A F T 3 S- 0 0 58 -2,-1.3 23,-3.4 1,-0.2 -1,-0.3 0.654 123.9 -83.6 -96.6 -31.9 4.6 6.6 3.1 21 383 A G E < -BC 18 42A 7 -3,-3.8 -3,-1.7 21,-0.3 2,-0.3 -0.821 62.4 -53.3 164.7-126.8 3.6 3.0 2.6 22 384 A T E -BC 17 41A 35 19,-2.2 19,-2.5 -2,-0.2 2,-0.5 -0.933 30.9-124.6-144.6 167.8 2.1 0.4 4.9 23 385 A V E +BC 16 40A 34 -7,-1.4 -8,-3.0 -2,-0.3 -7,-1.9 -0.977 32.6 171.6-117.7 125.0 2.7 -1.4 8.3 24 386 A K E -BC 14 39A 39 15,-1.8 15,-2.3 -2,-0.5 2,-0.3 -0.851 29.3-116.0-125.8 163.4 2.9 -5.2 8.4 25 387 A K E + C 0 38A 40 -12,-0.9 -14,-2.0 -2,-0.3 2,-0.3 -0.758 44.2 142.7 -98.1 148.9 3.7 -7.8 11.0 26 388 A G E -BC 10 37A 0 11,-2.0 11,-2.7 -2,-0.3 2,-0.4 -0.933 38.9-105.6-164.3-172.8 6.7 -10.1 10.8 27 389 A Y E -BC 9 36A 70 -18,-2.0 -18,-2.8 -2,-0.3 2,-0.5 -0.984 12.9-155.6-132.9 140.4 9.5 -11.9 12.6 28 390 A Y E -BC 8 35A 22 7,-3.1 7,-2.3 -2,-0.4 2,-1.2 -0.969 25.0-127.2-117.1 120.8 13.3 -11.4 12.7 29 391 A Q E - C 0 34A 78 -22,-2.4 5,-0.2 -2,-0.5 -21,-0.0 -0.470 36.1-166.8 -65.1 94.2 15.5 -14.4 13.5 30 392 A M - 0 0 63 3,-1.3 -1,-0.0 -2,-1.2 -3,-0.0 0.180 43.4 -70.4 -68.2-164.1 17.5 -13.0 16.4 31 393 A K S S- 0 0 209 1,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.902 119.6 -17.2 -60.4 -45.0 20.6 -14.6 17.8 32 394 A K S S+ 0 0 192 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.600 131.0 51.6-130.8 -41.8 18.8 -17.5 19.4 33 395 A V S S- 0 0 97 -4,-0.0 -3,-1.3 -5,-0.0 2,-0.4 -0.514 80.4-114.5 -94.3 164.1 15.1 -16.6 19.6 34 396 A V E -C 29 0A 81 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.873 31.2-151.6 -93.4 136.0 12.7 -15.3 17.0 35 397 A K E -C 28 0A 75 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.2 -0.928 10.3-129.5-113.2 133.4 11.6 -11.7 17.6 36 398 A T E -C 27 0A 45 -2,-0.5 52,-0.9 -9,-0.2 2,-0.3 -0.539 35.8-179.6 -75.5 143.9 8.2 -10.3 16.5 37 399 A V E -CD 26 87A 0 -11,-2.7 -11,-2.0 50,-0.2 2,-0.5 -0.959 30.0-131.4-144.6 155.8 8.6 -6.9 14.7 38 400 A A E -CD 25 86A 11 48,-2.7 48,-3.1 -2,-0.3 2,-0.5 -0.954 28.4-157.5-109.0 135.2 6.6 -4.2 12.9 39 401 A V E -CD 24 85A 0 -15,-2.3 -15,-1.8 -2,-0.5 2,-0.6 -0.945 12.1-147.8-121.3 125.6 7.9 -3.2 9.5 40 402 A K E -CD 23 84A 12 44,-3.1 44,-2.2 -2,-0.5 2,-0.5 -0.814 20.8-166.0 -85.6 122.9 7.3 0.1 7.6 41 403 A I E -CD 22 83A 24 -19,-2.5 -19,-2.2 -2,-0.6 42,-0.2 -0.949 15.2-125.3-117.0 129.1 7.3 -0.7 3.9 42 404 A L E -C 21 0A 9 40,-1.9 2,-0.8 -2,-0.5 -21,-0.3 -0.410 19.3-109.5 -81.3 142.9 7.6 2.1 1.4 43 405 A K - 0 0 109 -23,-3.4 2,-0.6 -2,-0.1 -1,-0.1 -0.596 52.9-113.1 -54.7 107.7 5.4 3.2 -1.5 44 406 A N - 0 0 120 -2,-0.8 2,-0.5 1,-0.1 -1,-0.1 -0.356 46.9-125.7 -59.6 102.5 8.0 2.1 -4.1 45 407 A E - 0 0 32 -2,-0.6 3,-0.2 3,-0.1 -1,-0.1 -0.448 1.9-117.5 -88.7 114.1 8.8 5.5 -5.3 46 408 A A S S- 0 0 88 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 0.122 79.2 -71.9 54.2-119.1 8.8 7.0 -8.8 47 409 A N S S+ 0 0 154 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.439 102.5 135.0-122.5 95.1 12.0 7.6 -8.6 48 410 A D > - 0 0 93 -3,-0.2 2,-0.9 1,-0.0 3,-0.6 -0.949 42.4-158.8-118.5 103.2 11.2 10.4 -6.2 49 411 A P T 3> + 0 0 63 0, 0.0 4,-0.9 0, 0.0 5,-0.1 -0.001 64.9 103.2 -78.0 32.9 13.8 10.0 -3.4 50 412 A A H >> S+ 0 0 29 -2,-0.9 4,-1.1 2,-0.2 3,-0.6 0.976 85.8 35.4 -77.1 -60.8 11.6 12.0 -1.0 51 413 A L H <> S+ 0 0 39 -3,-0.6 4,-2.3 1,-0.2 3,-0.4 0.859 110.0 70.3 -56.3 -35.6 10.3 9.1 1.1 52 414 A K H 3> S+ 0 0 59 -4,-0.5 4,-0.9 1,-0.3 -1,-0.2 0.868 107.7 29.3 -59.0 -43.6 13.6 7.3 0.7 53 415 A D H < S+ 0 0 12 -4,-2.9 3,-1.5 1,-0.2 4,-0.4 0.971 110.5 48.5 -53.4 -53.7 17.1 9.5 14.7 62 424 A M H >< S+ 0 0 5 -4,-2.3 3,-1.0 1,-0.3 11,-0.3 0.760 101.1 61.2 -67.5 -28.6 15.8 6.3 16.3 63 425 A Q H 3< S+ 0 0 99 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.650 101.9 55.0 -73.9 -13.2 19.2 4.5 16.6 64 426 A Q T << S+ 0 0 100 -3,-1.5 2,-0.5 -4,-0.5 -1,-0.2 0.608 93.3 90.3 -88.1 -13.2 20.3 7.4 18.9 65 427 A L < + 0 0 14 -3,-1.0 2,-0.4 -4,-0.4 8,-0.2 -0.738 46.3 171.1 -96.8 124.2 17.3 6.9 21.2 66 428 A D + 0 0 114 -2,-0.5 5,-0.1 6,-0.1 6,-0.0 -0.918 28.5 115.7-134.1 106.0 17.5 4.5 24.1 67 429 A N > - 0 0 22 -2,-0.4 3,-1.5 3,-0.3 52,-0.1 -0.944 64.7-120.0-171.2 141.9 14.5 4.6 26.5 68 430 A P T 3 S+ 0 0 58 0, 0.0 4,-0.1 0, 0.0 51,-0.1 0.674 111.7 49.9 -69.4 -14.4 11.8 2.2 27.7 69 431 A Y T 3 S+ 0 0 49 78,-0.1 79,-2.9 2,-0.1 2,-0.4 0.208 96.2 81.2-110.1 15.3 9.0 4.5 26.5 70 432 A I B < S-f 148 0B 2 -3,-1.5 -3,-0.3 77,-0.3 79,-0.2 -0.975 89.0-111.7-112.5 133.2 10.3 5.0 23.0 71 433 A V - 0 0 7 77,-3.1 2,-0.4 -2,-0.4 -6,-0.1 -0.375 36.6-125.8 -58.6 139.4 9.8 2.4 20.3 72 434 A R - 0 0 87 -4,-0.1 15,-2.5 -6,-0.0 2,-0.4 -0.768 9.4-136.3 -93.8 132.2 13.0 0.7 19.4 73 435 A M E - E 0 86A 31 -2,-0.4 13,-0.3 -11,-0.3 3,-0.1 -0.719 12.5-169.9 -79.3 130.5 14.4 0.4 15.9 74 436 A I E - 0 0 39 11,-3.0 2,-0.3 -2,-0.4 12,-0.2 0.872 55.6 -85.8 -83.2 -44.7 15.7 -3.0 15.0 75 437 A G E - E 0 85A 0 10,-1.9 10,-2.9 -72,-0.0 -1,-0.3 -0.972 39.5 -79.0 164.8-173.7 17.2 -1.8 11.7 76 438 A I E -aE 2 84A 8 -75,-3.4 -73,-2.2 -2,-0.3 2,-0.3 -0.784 29.5-167.2-115.3 162.8 16.7 -1.2 8.1 77 439 A C E - E 0 83A 5 6,-1.7 6,-2.0 -2,-0.3 2,-0.6 -0.959 11.0-148.6-151.8 126.9 16.6 -3.5 5.1 78 440 A E E + E 0 82A 124 -2,-0.3 4,-0.2 -75,-0.3 2,-0.2 -0.879 45.5 115.6-102.3 120.2 16.6 -2.8 1.3 79 441 A A S S- 0 0 34 2,-2.0 -2,-0.0 -2,-0.6 3,-0.0 -0.419 84.6 -14.2-143.8-137.7 14.8 -5.2 -0.9 80 442 A E S S- 0 0 126 -2,-0.2 2,-0.2 1,-0.0 -2,-0.0 0.915 140.1 -9.5 -37.4 -52.8 11.8 -5.0 -3.2 81 443 A S S S- 0 0 18 -4,-0.1 -2,-2.0 -37,-0.1 2,-0.3 -0.806 96.5 -73.3-134.2 179.9 11.3 -1.7 -1.3 82 444 A W E - E 0 78A 24 -2,-0.2 -40,-1.9 -4,-0.2 2,-0.4 -0.615 47.2-164.6 -79.3 136.3 12.8 0.1 1.7 83 445 A M E -DE 41 77A 1 -6,-2.0 -6,-1.7 -2,-0.3 2,-0.6 -0.979 16.1-159.6-128.8 126.6 11.8 -1.3 5.1 84 446 A L E -DE 40 76A 0 -44,-2.2 -44,-3.1 -2,-0.4 2,-0.5 -0.923 20.1-156.2-101.2 120.6 12.1 0.1 8.6 85 447 A V E +DE 39 75A 0 -10,-2.9 -11,-3.0 -2,-0.6 -10,-1.9 -0.872 17.7 172.5-107.9 122.3 12.0 -2.7 11.1 86 448 A M E -DE 38 73A 15 -48,-3.1 -48,-2.7 -2,-0.5 -13,-0.2 -0.854 41.3 -90.6-125.2 156.1 10.9 -2.0 14.7 87 449 A E E -D 37 0A 34 -15,-2.5 2,-0.4 -2,-0.3 -50,-0.2 -0.391 57.4-108.5 -58.2 146.2 10.1 -3.9 17.9 88 450 A M - 0 0 31 -52,-0.9 2,-0.7 -62,-0.1 -1,-0.1 -0.683 22.2-161.9 -91.0 130.5 6.3 -4.6 17.8 89 451 A A > - 0 0 9 -2,-0.4 3,-1.4 1,-0.1 51,-0.3 -0.907 17.6-164.5-103.4 101.6 3.7 -2.9 20.1 90 452 A E T 3 S+ 0 0 107 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.793 77.3 57.0 -66.1 -37.6 1.0 -5.4 19.7 91 453 A L T 3 S- 0 0 64 49,-1.6 -1,-0.3 50,-0.2 50,-0.2 0.592 97.5-151.0 -76.1 -10.2 -2.0 -3.5 21.0 92 454 A G E < +G 140 0B 15 -3,-1.4 48,-2.1 48,-0.6 -1,-0.2 -0.085 42.7 5.3 78.6-171.2 -1.5 -0.7 18.5 93 455 A P E > -G 139 0B 48 0, 0.0 4,-2.0 0, 0.0 46,-0.3 -0.139 62.3-130.3 -60.0 139.1 -2.2 3.0 18.5 94 456 A L H > S+ 0 0 2 44,-3.2 4,-2.2 41,-0.8 5,-0.2 0.846 102.6 54.3 -56.3 -39.7 -3.5 4.5 21.7 95 457 A N H > S+ 0 0 23 40,-0.9 4,-1.6 43,-0.2 -1,-0.2 0.922 109.7 45.0 -70.0 -41.5 -6.4 6.4 20.1 96 458 A K H > S+ 0 0 93 -3,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.894 111.8 55.4 -63.2 -41.1 -7.9 3.3 18.3 97 459 A Y H >< S+ 0 0 33 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.925 109.4 43.5 -59.8 -48.5 -7.5 1.3 21.4 98 460 A L H >< S+ 0 0 2 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.803 109.3 58.5 -71.1 -27.3 -9.5 3.7 23.7 99 461 A Q H 3< S+ 0 0 55 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.790 112.3 41.3 -65.5 -28.4 -12.1 4.0 20.9 100 462 A Q T << S+ 0 0 136 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.301 118.8 46.1-102.5 5.5 -12.6 0.2 21.2 101 463 A N X + 0 0 56 -3,-0.7 3,-1.7 -4,-0.2 -1,-0.2 -0.475 61.0 169.9-146.9 68.1 -12.4 0.1 25.0 102 464 A R T 3 S+ 0 0 140 -3,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.512 74.3 59.9 -62.8 -4.5 -14.6 2.8 26.3 103 465 A H T 3 + 0 0 166 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.121 62.6 132.0-122.1 21.9 -14.3 1.5 29.9 104 466 A V < - 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