==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-JAN-12 4DFN . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE SYK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LOPEZ,V.SEGARRA,B.VIDAL,C.WENZKOWSKI,A.JESTEL,S.KRAPP,M.BL . 269 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 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 . 48 17.8 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 . 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 . 20 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 30.9 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 1 0 1 0 1 1 0 0 0 0 2 1 0 0 0 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 1 2 0 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 99 0, 0.0 71,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -49.8 21.9 -0.8 10.9 2 364 A Y B -a 72 0A 155 69,-0.2 71,-0.2 71,-0.0 2,-0.1 -0.938 360.0-143.4-105.9 121.1 21.3 -2.7 7.7 3 365 A L - 0 0 24 69,-2.8 2,-0.6 -2,-0.5 71,-0.3 -0.334 14.1-112.3 -85.7 164.2 19.2 -5.9 8.1 4 366 A D >> - 0 0 72 1,-0.2 3,-1.2 69,-0.1 4,-0.6 -0.863 15.0-151.3-101.1 113.0 19.6 -9.2 6.3 5 367 A R G >4 S+ 0 0 104 -2,-0.6 3,-1.8 1,-0.3 -1,-0.2 0.868 95.3 62.1 -51.4 -43.9 16.6 -10.0 4.1 6 368 A K G 34 S+ 0 0 193 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.873 105.8 46.5 -47.0 -44.1 17.2 -13.8 4.6 7 369 A L G <4 S+ 0 0 64 -3,-1.2 22,-2.0 21,-0.1 2,-0.5 0.506 96.5 89.9 -80.9 -7.3 16.5 -13.3 8.3 8 370 A L E << -B 28 0A 7 -3,-1.8 2,-0.5 -4,-0.6 20,-0.2 -0.814 54.5-173.6 -96.5 129.1 13.4 -11.2 7.8 9 371 A T E -B 27 0A 83 18,-2.3 18,-2.9 -2,-0.5 2,-0.3 -0.981 6.3-164.3-125.3 118.7 10.0 -13.0 7.5 10 372 A L E -B 26 0A 43 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.689 11.8-137.1-102.1 153.4 6.9 -11.0 6.7 11 373 A E E - 0 0 79 14,-2.2 14,-0.2 -2,-0.3 -2,-0.0 -0.868 17.6-128.9-108.6 146.6 3.2 -11.9 7.0 12 374 A D E S+ 0 0 148 -2,-0.3 2,-0.4 12,-0.1 -1,-0.1 0.638 79.9 99.5 -72.9 -15.8 0.7 -11.1 4.3 13 375 A K E - 0 0 149 12,-0.1 12,-0.8 1,-0.0 2,-0.4 -0.601 69.2-139.8 -74.1 123.7 -1.7 -9.4 6.6 14 376 A E E -B 24 0A 103 -2,-0.4 10,-0.2 1,-0.2 3,-0.1 -0.705 11.1-165.6 -80.5 132.5 -1.5 -5.6 6.6 15 377 A L E S- 0 0 83 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.872 72.8 -9.5 -83.2 -42.9 -1.8 -4.0 10.1 16 378 A G E -B 23 0A 25 7,-1.2 7,-2.6 2,-0.0 -1,-0.4 -0.987 62.0-154.2-155.0 152.2 -2.4 -0.5 8.7 17 379 A S E +B 22 0A 87 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.841 26.3 129.2-125.2 161.8 -2.3 1.4 5.4 18 380 A G - 0 0 35 3,-1.5 -2,-0.0 -2,-0.3 0, 0.0 -0.962 68.4 -61.5-179.0-165.3 -1.7 5.1 4.4 19 381 A N S S+ 0 0 156 -2,-0.3 24,-0.2 1,-0.2 3,-0.1 0.877 127.5 57.2 -70.4 -39.9 0.1 7.6 2.3 20 382 A F S S- 0 0 84 1,-0.2 23,-0.8 22,-0.1 2,-0.3 0.838 121.3-108.0 -54.0 -36.1 3.4 6.6 3.9 21 383 A G E - C 0 42A 2 21,-0.2 -3,-1.5 2,-0.0 2,-0.3 -0.996 50.4 -41.2 140.9-143.6 2.7 3.0 2.7 22 384 A T E -BC 17 41A 3 19,-1.4 19,-2.4 -2,-0.3 2,-0.4 -0.872 38.5-141.8-120.1 156.5 1.7 -0.1 4.7 23 385 A V E -BC 16 40A 33 -7,-2.6 -8,-2.7 -2,-0.3 -7,-1.2 -0.970 25.2-177.3-114.2 135.1 2.8 -1.5 8.0 24 386 A K E -BC 14 39A 41 15,-1.8 15,-3.0 -2,-0.4 2,-0.3 -0.919 27.9-112.6-130.8 154.5 3.1 -5.3 8.3 25 387 A K E + C 0 38A 48 -12,-0.8 -14,-2.2 -2,-0.3 2,-0.3 -0.664 45.2 161.9 -81.6 141.8 3.9 -7.8 11.1 26 388 A G E -BC 10 37A 0 11,-2.4 11,-3.5 -2,-0.3 2,-0.4 -0.948 33.8-123.8-151.5 171.7 7.1 -9.7 10.6 27 389 A Y E -BC 9 36A 83 -18,-2.9 -18,-2.3 -2,-0.3 2,-0.6 -0.990 13.6-159.2-124.8 129.0 9.7 -11.8 12.5 28 390 A Y E -BC 8 35A 33 7,-2.9 7,-2.5 -2,-0.4 2,-0.8 -0.948 19.8-134.6-108.0 120.0 13.4 -11.0 12.6 29 391 A Q E - C 0 34A 79 -22,-2.0 5,-0.2 -2,-0.6 4,-0.1 -0.632 30.6-176.7 -78.3 106.9 15.6 -14.0 13.5 30 392 A M - 0 0 70 3,-1.7 -1,-0.0 -2,-0.8 0, 0.0 -0.091 48.5 -64.0 -92.2-166.8 18.1 -12.9 16.1 31 393 A K S S- 0 0 219 1,-0.1 3,-0.1 -2,-0.0 -2,-0.1 0.815 121.8 -15.7 -55.0 -39.3 21.0 -14.9 17.8 32 394 A K S S+ 0 0 191 1,-0.3 2,-0.2 0, 0.0 -1,-0.1 0.594 129.0 44.5-127.0 -56.2 18.7 -17.4 19.5 33 395 A V S S- 0 0 100 -4,-0.1 -3,-1.7 1,-0.0 -1,-0.3 -0.543 75.9-119.6 -93.2 158.1 15.1 -16.2 19.6 34 396 A V E -C 29 0A 81 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.756 25.9-144.6 -92.0 147.7 13.0 -14.7 16.8 35 397 A K E -C 28 0A 78 -7,-2.5 -7,-2.9 -2,-0.3 2,-0.2 -0.964 10.5-128.1-119.0 127.7 11.6 -11.2 17.5 36 398 A T E -C 27 0A 48 -2,-0.5 48,-0.9 -9,-0.2 2,-0.3 -0.518 38.3-178.3 -68.4 134.8 8.2 -9.9 16.3 37 399 A V E -CD 26 83A 0 -11,-3.5 -11,-2.4 -2,-0.2 2,-0.5 -0.927 30.8-126.0-138.1 157.5 8.6 -6.6 14.4 38 400 A A E -CD 25 82A 10 44,-2.6 44,-2.5 -2,-0.3 2,-0.6 -0.931 27.5-155.1-103.6 128.1 6.5 -4.0 12.6 39 401 A V E -CD 24 81A 0 -15,-3.0 -15,-1.8 -2,-0.5 2,-0.8 -0.914 6.6-155.4-113.9 115.4 7.7 -3.3 9.1 40 402 A K E -CD 23 80A 27 40,-2.8 40,-2.3 -2,-0.6 2,-0.8 -0.790 14.7-166.7 -88.4 107.5 7.1 0.1 7.5 41 403 A I E -CD 22 79A 14 -19,-2.4 -19,-1.4 -2,-0.8 2,-0.2 -0.849 13.1-141.3-103.6 102.8 7.2 -0.6 3.7 42 404 A L E CD 21 78A 24 36,-1.8 36,-0.5 -2,-0.8 -21,-0.2 -0.452 360.0 360.0 -67.0 125.8 7.4 2.6 1.7 43 405 A K 0 0 136 -23,-0.8 -1,-0.1 -2,-0.2 34,-0.1 -0.644 360.0 360.0 -79.9 360.0 5.2 2.4 -1.5 44 ! 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 45 411 A P > 0 0 145 0, 0.0 4,-1.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -63.7 13.9 9.6 -4.8 46 412 A A H > + 0 0 64 1,-0.2 4,-1.0 2,-0.2 0, 0.0 0.792 360.0 56.3 -71.9 -30.0 12.3 11.9 -2.2 47 413 A L H > S+ 0 0 87 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.854 101.8 56.3 -70.4 -37.2 10.7 8.9 -0.3 48 414 A K H >> S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.936 106.0 48.6 -60.3 -50.9 14.1 7.2 0.3 49 415 A D H 3X S+ 0 0 106 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.793 106.4 57.8 -63.7 -31.1 15.8 10.1 2.0 50 416 A E H 3X S+ 0 0 123 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.836 110.9 42.0 -68.4 -35.0 12.8 10.6 4.3 51 417 A L H X S+ 0 0 14 -4,-1.8 3,-0.8 -5,-0.2 4,-0.5 0.948 111.5 48.8 -64.2 -50.8 17.1 9.8 14.1 58 424 A M H >< S+ 0 0 5 -4,-2.6 3,-1.4 1,-0.2 11,-0.3 0.874 104.2 60.3 -60.9 -38.2 15.7 6.5 15.6 59 425 A Q H 3< S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.811 102.7 52.8 -58.4 -34.1 19.2 4.9 15.8 60 426 A Q H << S+ 0 0 110 -4,-0.8 2,-0.5 -3,-0.8 -1,-0.3 0.602 96.1 83.5 -76.3 -14.3 20.3 7.7 18.2 61 427 A L << + 0 0 10 -3,-1.4 2,-0.5 -4,-0.5 58,-0.0 -0.836 47.6 174.0-105.8 123.2 17.4 7.3 20.6 62 428 A D + 0 0 105 -2,-0.5 5,-0.1 6,-0.1 -3,-0.0 -0.918 26.1 125.6-128.3 107.1 17.4 4.7 23.5 63 429 A N > - 0 0 25 -2,-0.5 3,-1.4 3,-0.4 52,-0.1 -0.983 60.5-124.8-157.0 143.6 14.4 4.8 25.9 64 430 A P T 3 S+ 0 0 56 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.777 111.6 51.8 -60.6 -25.4 11.7 2.4 27.2 65 431 A Y T 3 S+ 0 0 53 78,-0.1 79,-2.1 46,-0.1 2,-0.4 0.086 97.9 75.8-104.8 23.1 9.0 4.8 26.1 66 432 A I B < S-f 144 0B 2 -3,-1.4 -3,-0.4 77,-0.3 79,-0.2 -0.998 88.1-110.9-132.7 129.5 10.1 5.3 22.5 67 433 A V - 0 0 4 77,-2.6 2,-0.2 -2,-0.4 -2,-0.1 -0.373 38.3-137.3 -57.0 125.8 9.7 2.7 19.7 68 434 A R - 0 0 71 -2,-0.1 15,-2.2 -4,-0.1 2,-0.4 -0.576 5.2-128.4 -88.2 150.1 13.1 1.3 18.8 69 435 A M E - E 0 82A 30 -11,-0.3 13,-0.3 13,-0.2 3,-0.1 -0.824 13.4-169.0 -93.0 135.6 14.4 0.7 15.2 70 436 A I E - 0 0 38 11,-2.8 2,-0.3 -2,-0.4 12,-0.2 0.806 58.4 -85.3 -86.3 -40.5 15.9 -2.7 14.5 71 437 A G E - E 0 81A 0 10,-1.5 10,-2.9 -69,-0.0 -1,-0.4 -0.964 40.8 -76.0 161.6-170.4 17.3 -1.5 11.1 72 438 A I E -aE 2 80A 10 -71,-2.3 -69,-2.8 -2,-0.3 2,-0.4 -0.898 31.3-167.5-121.4 150.0 16.6 -0.9 7.4 73 439 A C E - E 0 79A 6 6,-2.1 6,-2.1 -2,-0.3 2,-0.7 -0.998 13.5-146.2-141.0 132.7 16.3 -3.4 4.5 74 440 A E E + E 0 78A 126 -2,-0.4 4,-0.2 -71,-0.3 -69,-0.1 -0.897 43.9 129.4-101.3 112.1 16.3 -2.8 0.8 75 441 A A S S- 0 0 44 2,-2.5 3,-0.0 -2,-0.7 4,-0.0 -0.169 84.3 -38.5-125.5-138.1 14.1 -5.3 -1.1 76 442 A E S S+ 0 0 202 -2,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.899 139.5 19.2 -56.4 -41.6 11.3 -4.8 -3.6 77 443 A S S S- 0 0 42 -34,-0.1 -2,-2.5 -4,-0.0 2,-0.3 -0.774 98.1 -95.9-117.2 167.1 10.5 -1.8 -1.4 78 444 A W E -DE 42 74A 51 -36,-0.5 -36,-1.8 -2,-0.3 2,-0.4 -0.705 46.0-158.4 -79.3 139.5 12.5 0.1 1.2 79 445 A M E -DE 41 73A 5 -6,-2.1 -6,-2.1 -2,-0.3 2,-0.6 -0.981 19.4-161.1-132.1 128.4 11.7 -1.2 4.7 80 446 A L E -DE 40 72A 0 -40,-2.3 -40,-2.8 -2,-0.4 2,-0.5 -0.941 18.7-155.0-104.8 116.1 12.0 0.2 8.2 81 447 A V E +DE 39 71A 0 -10,-2.9 -11,-2.8 -2,-0.6 -10,-1.5 -0.822 22.2 167.5 -97.1 128.4 12.0 -2.5 10.8 82 448 A M E -DE 38 69A 22 -44,-2.5 -44,-2.6 -2,-0.5 -13,-0.2 -0.875 42.8 -78.0-134.2 162.5 10.8 -1.5 14.3 83 449 A E E -D 37 0A 31 -15,-2.2 2,-0.4 -2,-0.3 -46,-0.2 -0.358 56.2-111.1 -52.7 140.9 9.7 -3.1 17.6 84 450 A M - 0 0 29 -48,-0.9 2,-0.7 -58,-0.1 -1,-0.1 -0.692 24.5-166.9 -83.2 126.3 6.2 -4.3 17.4 85 451 A A > - 0 0 11 -2,-0.4 3,-1.7 1,-0.1 51,-0.3 -0.852 14.2-168.3-106.9 89.5 3.6 -2.4 19.5 86 452 A E T 3 S+ 0 0 101 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.751 76.1 55.2 -55.7 -39.0 0.8 -5.0 19.1 87 453 A L T 3 S- 0 0 66 49,-1.9 -1,-0.3 1,-0.2 50,-0.2 0.625 97.6-152.6 -78.7 -12.3 -2.2 -3.1 20.4 88 454 A G E < +G 136 0B 17 -3,-1.7 48,-2.3 48,-0.7 -1,-0.2 -0.211 45.0 10.4 81.9-164.0 -1.6 -0.3 17.9 89 455 A P E > -G 135 0B 37 0, 0.0 4,-2.2 0, 0.0 46,-0.2 -0.214 61.9-134.0 -59.1 135.2 -2.4 3.4 17.9 90 456 A L H > S+ 0 0 2 44,-3.3 4,-2.4 41,-0.8 5,-0.2 0.846 102.8 54.1 -53.4 -41.5 -3.6 4.8 21.2 91 457 A N H > S+ 0 0 26 40,-0.7 4,-1.6 43,-0.3 -1,-0.2 0.919 112.3 41.5 -67.3 -42.1 -6.5 6.8 19.7 92 458 A K H > S+ 0 0 104 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.816 112.6 56.2 -75.1 -30.1 -8.0 3.7 17.9 93 459 A Y H >X S+ 0 0 27 -4,-2.2 4,-0.6 1,-0.2 3,-0.6 0.954 111.0 42.1 -63.7 -50.6 -7.4 1.5 21.0 94 460 A L H 3< S+ 0 0 2 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.788 108.2 60.7 -68.1 -30.9 -9.4 3.9 23.3 95 461 A Q H 3< S+ 0 0 71 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.808 113.5 37.9 -60.8 -31.5 -12.1 4.3 20.6 96 462 A Q H << S+ 0 0 152 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.441 120.7 46.2-102.1 -5.0 -12.7 0.6 20.8 97 463 A N >< + 0 0 62 -4,-0.6 3,-1.4 -3,-0.3 -1,-0.2 -0.570 59.1 161.3-136.9 72.6 -12.2 0.2 24.6 98 464 A R T 3 + 0 0 156 -3,-0.3 -4,-0.1 1,-0.3 -1,-0.1 0.375 66.9 73.0 -78.8 5.2 -14.2 3.0 26.3 99 465 A H T 3 + 0 0 171 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.396 64.3 122.9 -95.3 -1.3 -14.1 1.2 29.7 100 466 A V < - 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