==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-JAN-12 3VF8 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE SYK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.R.MCLEAN,Y.ZHANG . 265 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 68.3 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 . 47 17.7 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 . 2 0.8 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 . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 31.3 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 0 2 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 2 1 1 2 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 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 95 0, 0.0 69,-3.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 -48.2 -21.6 -1.0 -11.2 2 364 A Y B -a 70 0A 155 67,-0.2 69,-0.2 69,-0.1 2,-0.2 -0.731 360.0-157.8 -85.8 113.7 -21.6 -3.0 -7.9 3 365 A L - 0 0 32 67,-3.1 2,-0.5 -2,-0.7 69,-0.3 -0.558 18.7-110.5 -93.1 156.0 -19.4 -6.1 -8.2 4 366 A D > - 0 0 92 -2,-0.2 3,-0.7 1,-0.1 4,-0.4 -0.744 15.2-152.4 -86.6 122.2 -19.3 -9.4 -6.3 5 367 A R G > S+ 0 0 77 -2,-0.5 3,-0.9 1,-0.2 -1,-0.1 0.803 95.9 61.8 -63.7 -32.0 -16.2 -9.8 -4.0 6 368 A K G 3 S+ 0 0 87 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.798 103.5 49.6 -63.5 -32.6 -16.5 -13.6 -4.4 7 369 A L G < S+ 0 0 69 -3,-0.7 22,-1.6 22,-0.1 2,-0.5 0.542 98.5 85.1 -83.2 -10.8 -15.9 -13.3 -8.2 8 370 A L E < -B 28 0A 6 -3,-0.9 2,-0.5 -4,-0.4 20,-0.2 -0.842 57.2-171.3 -99.4 127.2 -12.8 -11.0 -7.6 9 371 A T E -B 27 0A 84 18,-2.6 18,-1.6 -2,-0.5 2,-0.3 -0.960 11.2-155.0-119.9 108.0 -9.4 -12.6 -7.0 10 372 A L E -B 26 0A 48 -2,-0.5 16,-0.2 16,-0.2 2,-0.2 -0.690 7.1-144.6 -87.5 135.4 -6.6 -10.2 -6.0 11 373 A E E - 0 0 32 14,-2.6 14,-0.1 -2,-0.3 -1,-0.0 -0.574 20.0-122.0 -94.9 159.2 -2.9 -11.0 -6.6 12 374 A D E S+ 0 0 109 -2,-0.2 2,-0.2 12,-0.1 -1,-0.1 0.726 84.4 101.1 -70.0 -25.7 0.1 -10.1 -4.4 13 375 A K E - 0 0 59 12,-0.1 12,-1.6 1,-0.0 2,-0.5 -0.466 64.6-148.4 -68.1 126.3 1.7 -8.1 -7.3 14 376 A E E -B 24 0A 72 -2,-0.2 10,-0.3 10,-0.2 3,-0.1 -0.886 12.5-171.8-101.7 120.9 1.3 -4.3 -7.1 15 377 A L E - 0 0 83 8,-2.1 2,-0.3 -2,-0.5 9,-0.2 0.841 66.7 -14.3 -77.6 -39.8 1.0 -2.4 -10.4 16 378 A G E -B 23 0A 31 7,-1.8 7,-2.6 2,-0.0 2,-0.3 -0.933 55.6-145.3-156.0 175.8 1.2 1.1 -9.0 17 379 A S E +B 22 0A 90 5,-0.3 5,-0.2 -2,-0.3 2,-0.2 -0.987 22.4 144.4-151.0 153.3 1.0 3.4 -5.9 18 380 A G - 0 0 43 3,-1.7 -2,-0.0 -2,-0.3 5,-0.0 -0.805 64.4 -62.7-160.9-160.2 -0.2 6.9 -4.9 19 381 A N S S+ 0 0 111 -2,-0.2 26,-0.1 1,-0.2 3,-0.1 0.815 127.2 57.5 -71.4 -34.0 -1.8 9.0 -2.1 20 382 A F S S- 0 0 72 1,-0.1 2,-0.3 21,-0.1 -1,-0.2 0.826 120.7-102.1 -64.0 -38.5 -5.1 6.9 -2.4 21 383 A G - 0 0 33 20,-0.3 -3,-1.7 2,-0.0 2,-0.3 -0.815 61.9 -31.6 153.0-105.5 -3.2 3.6 -1.7 22 384 A T E -BC 17 40A 31 18,-1.9 18,-3.1 -2,-0.3 2,-0.5 -0.960 35.2-131.8-148.2 162.4 -2.2 1.1 -4.4 23 385 A V E -BC 16 39A 27 -7,-2.6 -8,-2.1 -2,-0.3 -7,-1.8 -0.986 33.7-174.0-116.8 120.8 -3.2 -0.4 -7.8 24 386 A K E -BC 14 38A 32 14,-2.8 14,-3.5 -2,-0.5 -10,-0.2 -0.894 26.2-110.4-122.1 152.7 -3.1 -4.3 -7.9 25 387 A K E + C 0 37A 56 -12,-1.6 -14,-2.6 -2,-0.3 2,-0.3 -0.487 47.7 159.6 -75.2 144.2 -3.5 -7.0 -10.6 26 388 A G E -BC 10 36A 0 10,-2.6 10,-2.6 -16,-0.2 2,-0.4 -0.905 35.2-121.9-153.7-178.9 -6.6 -9.2 -10.3 27 389 A Y E -BC 9 35A 96 -18,-1.6 -18,-2.6 -2,-0.3 2,-0.4 -0.999 18.3-168.2-137.3 132.1 -9.1 -11.6 -12.0 28 390 A Y E -BC 8 34A 19 6,-2.8 6,-3.3 -2,-0.4 2,-0.4 -0.989 21.3-128.8-126.4 128.0 -12.9 -11.2 -12.3 29 391 A Q E C 0 33A 84 -22,-1.6 4,-0.2 -2,-0.4 -22,-0.1 -0.593 360.0 360.0 -75.0 125.5 -15.4 -13.9 -13.4 30 392 A M 0 0 110 2,-3.3 3,-0.2 -2,-0.4 -1,-0.1 0.583 360.0 360.0 -99.6 360.0 -17.7 -12.8 -16.2 31 ! 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 32 395 A V 0 0 141 0, 0.0 -2,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.2 -14.8 -16.3 -19.1 33 396 A V E -C 29 0A 86 -4,-0.2 2,-0.5 -3,-0.2 -4,-0.2 -0.933 360.0-148.5-110.5 130.9 -12.4 -14.7 -16.5 34 397 A K E -C 28 0A 81 -6,-3.3 -6,-2.8 -2,-0.4 2,-0.3 -0.898 12.2-130.4-106.4 128.2 -11.2 -11.2 -17.1 35 398 A T E -C 27 0A 44 -2,-0.5 47,-1.4 -8,-0.2 2,-0.3 -0.569 38.7-173.3 -72.1 130.5 -7.7 -9.9 -16.0 36 399 A V E -CD 26 81A 0 -10,-2.6 -10,-2.6 -2,-0.3 2,-0.5 -0.905 31.3-135.6-131.4 158.9 -8.2 -6.6 -14.1 37 400 A A E -CD 25 80A 12 43,-2.6 43,-2.6 -2,-0.3 2,-0.6 -0.976 28.2-156.4-112.2 120.3 -6.3 -3.7 -12.5 38 401 A V E -CD 24 79A 0 -14,-3.5 -14,-2.8 -2,-0.5 2,-0.7 -0.923 9.0-150.2-109.4 117.8 -7.9 -2.9 -9.1 39 402 A K E -CD 23 78A 8 39,-2.9 39,-2.4 -2,-0.6 2,-0.5 -0.773 21.7-164.0 -84.7 109.3 -7.4 0.6 -7.6 40 403 A I E CD 22 77A 29 -18,-3.1 -18,-1.9 -2,-0.7 37,-0.2 -0.898 360.0 360.0-104.8 125.5 -7.5 -0.0 -3.8 41 404 A L 0 0 44 35,-2.2 -20,-0.3 -2,-0.5 -21,-0.1 -0.484 360.0 360.0 -73.6 360.0 -8.1 2.9 -1.3 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 0 148 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -26.1 -14.2 10.0 3.8 44 412 A A H > + 0 0 66 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.904 360.0 45.2 -64.6 -47.1 -12.4 12.3 1.3 45 413 A L H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.835 112.9 52.1 -66.3 -36.2 -10.6 9.5 -0.5 46 414 A K H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.908 110.4 46.7 -66.8 -45.4 -13.8 7.4 -0.7 47 415 A D H X S+ 0 0 121 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.801 110.9 54.3 -65.9 -32.6 -15.9 10.2 -2.2 48 416 A E H X S+ 0 0 116 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.890 109.7 46.4 -66.9 -43.3 -13.0 10.8 -4.7 49 417 A L H X S+ 0 0 7 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.851 112.0 50.6 -68.2 -39.0 -13.1 7.1 -5.9 50 418 A L H X S+ 0 0 58 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.883 112.6 46.3 -66.1 -41.3 -16.9 7.2 -6.2 51 419 A A H X S+ 0 0 56 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.869 111.7 52.2 -67.6 -39.2 -16.8 10.4 -8.3 52 420 A E H X S+ 0 0 17 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.879 110.5 48.4 -61.7 -43.4 -13.9 8.8 -10.4 53 421 A A H X S+ 0 0 6 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.841 107.5 55.1 -66.5 -38.2 -16.1 5.7 -11.0 54 422 A N H X S+ 0 0 106 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.829 110.2 46.5 -65.4 -35.2 -19.1 7.8 -12.0 55 423 A V H >< S+ 0 0 9 -4,-1.5 3,-1.0 2,-0.2 4,-0.4 0.954 113.2 47.8 -69.5 -54.0 -17.0 9.6 -14.7 56 424 A M H >< S+ 0 0 5 -4,-2.0 3,-0.9 1,-0.2 11,-0.4 0.787 105.2 59.8 -57.6 -35.9 -15.5 6.3 -16.1 57 425 A Q H 3< S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.768 103.1 52.6 -64.6 -30.3 -19.0 4.5 -16.2 58 426 A Q T << S+ 0 0 110 -3,-1.0 2,-0.4 -4,-0.6 -1,-0.2 0.551 94.4 90.8 -81.5 -13.5 -20.2 7.3 -18.7 59 427 A L < + 0 0 12 -3,-0.9 2,-0.3 -4,-0.4 8,-0.2 -0.755 43.4 170.6 -95.6 132.7 -17.3 6.7 -21.1 60 428 A D + 0 0 114 -2,-0.4 5,-0.1 6,-0.1 -3,-0.0 -0.809 29.6 122.1-140.9 90.7 -17.4 4.3 -24.0 61 429 A N > - 0 0 22 -2,-0.3 3,-1.4 3,-0.3 52,-0.1 -0.982 61.7-127.7-150.2 141.2 -14.3 4.6 -26.4 62 430 A P T 3 S+ 0 0 58 0, 0.0 4,-0.1 0, 0.0 51,-0.1 0.705 109.7 55.1 -65.3 -18.2 -11.6 2.1 -27.5 63 431 A Y T 3 S+ 0 0 55 78,-0.1 79,-2.1 2,-0.1 2,-0.4 0.105 97.0 76.0-103.1 22.1 -8.8 4.6 -26.5 64 432 A I B < S-f 142 0B 4 -3,-1.4 -3,-0.3 77,-0.3 79,-0.2 -0.997 90.4-106.8-132.8 133.3 -10.0 5.0 -22.8 65 433 A V - 0 0 4 77,-2.7 2,-0.3 -2,-0.4 -6,-0.1 -0.419 39.3-131.0 -60.3 124.4 -9.6 2.4 -20.0 66 434 A R - 0 0 79 -2,-0.1 15,-2.7 -4,-0.1 2,-0.4 -0.676 9.7-134.2 -84.9 135.1 -13.0 0.7 -19.3 67 435 A M E - E 0 80A 33 -11,-0.4 13,-0.3 -2,-0.3 3,-0.1 -0.763 11.6-166.2 -87.9 130.1 -14.2 0.4 -15.8 68 436 A I E - 0 0 43 11,-2.4 2,-0.3 -2,-0.4 12,-0.2 0.899 56.6 -87.4 -78.8 -45.3 -15.7 -3.0 -14.9 69 437 A G E - E 0 79A 0 10,-1.5 10,-2.6 -66,-0.0 -1,-0.4 -0.966 42.1 -72.1 162.5-169.6 -17.3 -1.7 -11.7 70 438 A I E -aE 2 78A 8 -69,-3.6 -67,-3.1 -2,-0.3 2,-0.3 -0.835 31.1-165.0-117.0 153.9 -16.8 -0.9 -8.0 71 439 A C E - E 0 77A 5 6,-2.0 6,-2.2 -2,-0.3 2,-0.6 -0.984 9.4-154.3-144.4 129.7 -16.5 -3.2 -4.9 72 440 A E E + E 0 76A 124 -2,-0.3 4,-0.2 -69,-0.3 -67,-0.1 -0.919 49.0 107.1-106.2 113.3 -16.8 -2.5 -1.2 73 441 A A S S- 0 0 44 2,-1.2 3,-0.1 -2,-0.6 -1,-0.0 -0.195 88.1 -7.8-144.6-121.4 -14.9 -5.0 1.0 74 442 A E S S- 0 0 123 1,-0.1 2,-0.3 -2,-0.1 -2,-0.1 0.716 140.6 -7.0 -59.3 -24.5 -11.6 -4.8 3.1 75 443 A S S S- 0 0 47 -4,-0.1 -2,-1.2 0, 0.0 2,-0.2 -0.924 95.6 -77.4-162.0 160.9 -11.3 -1.3 1.3 76 444 A W E - E 0 72A 51 -2,-0.3 -35,-2.2 -4,-0.2 2,-0.4 -0.525 53.5-158.3 -69.6 131.5 -13.2 0.6 -1.5 77 445 A M E -DE 40 71A 0 -6,-2.2 -6,-2.0 -2,-0.2 2,-0.6 -0.964 21.6-161.2-124.6 136.7 -12.2 -0.8 -4.9 78 446 A L E -DE 39 70A 0 -39,-2.4 -39,-2.9 -2,-0.4 2,-0.5 -0.949 20.2-157.0-113.7 103.6 -12.3 0.6 -8.5 79 447 A V E +DE 38 69A 0 -10,-2.6 -11,-2.4 -2,-0.6 -10,-1.5 -0.778 18.0 172.9 -89.9 121.9 -12.0 -2.4 -10.9 80 448 A M E -DE 37 67A 12 -43,-2.6 -43,-2.6 -2,-0.5 -13,-0.2 -0.879 39.6 -89.2-124.7 159.3 -10.7 -1.6 -14.5 81 449 A E E -D 36 0A 30 -15,-2.7 2,-0.4 -2,-0.3 -45,-0.2 -0.376 52.5-107.2 -66.2 141.1 -9.7 -3.6 -17.6 82 450 A M - 0 0 32 -47,-1.4 2,-0.7 -56,-0.1 -1,-0.1 -0.630 23.1-163.3 -79.3 128.2 -6.0 -4.6 -17.5 83 451 A A > - 0 0 10 -2,-0.4 3,-1.2 1,-0.1 51,-0.3 -0.918 15.2-161.6-109.0 91.0 -3.6 -2.8 -19.9 84 452 A E T 3 S+ 0 0 99 -2,-0.7 51,-0.2 1,-0.2 -1,-0.1 0.761 80.2 53.0 -46.2 -45.2 -0.8 -5.4 -19.7 85 453 A L T 3 S- 0 0 69 49,-1.6 -1,-0.2 50,-0.2 50,-0.2 0.704 96.5-157.3 -72.7 -19.8 2.2 -3.3 -21.0 86 454 A G E < +G 134 0B 14 -3,-1.2 48,-2.4 48,-0.9 -1,-0.2 -0.267 42.2 11.5 79.5-162.7 1.5 -0.5 -18.5 87 455 A P E > -G 133 0B 46 0, 0.0 4,-2.0 0, 0.0 46,-0.2 -0.206 60.5-134.8 -56.7 137.8 2.4 3.3 -18.4 88 456 A L H > S+ 0 0 1 44,-2.7 4,-2.2 41,-1.1 42,-0.2 0.845 103.3 53.9 -58.0 -43.1 3.7 4.8 -21.7 89 457 A N H > S+ 0 0 22 40,-0.6 4,-1.4 43,-0.2 -1,-0.2 0.916 111.9 43.7 -61.5 -45.7 6.6 6.7 -20.0 90 458 A K H > S+ 0 0 108 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.854 113.4 52.2 -67.7 -39.3 7.9 3.5 -18.2 91 459 A Y H X S+ 0 0 36 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.894 110.7 46.2 -64.6 -44.6 7.6 1.4 -21.4 92 460 A L H < S+ 0 0 2 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.783 109.2 55.9 -70.1 -28.0 9.5 3.9 -23.6 93 461 A Q H < S+ 0 0 76 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.831 115.4 38.6 -68.1 -37.4 12.2 4.2 -20.8 94 462 A Q H < S+ 0 0 141 -4,-1.4 2,-0.5 1,-0.2 -2,-0.2 0.719 121.3 45.5 -83.8 -29.4 12.7 0.4 -21.1 95 463 A N >< + 0 0 62 -4,-1.9 3,-1.0 -5,-0.1 -1,-0.2 -0.736 59.6 159.9-121.7 79.5 12.3 0.2 -24.9 96 464 A R T 3 S+ 0 0 98 -2,-0.5 -1,-0.1 -3,-0.3 -4,-0.1 0.598 70.4 68.0 -73.9 -14.7 14.4 3.0 -26.4 97 465 A H T 3 + 0 0 101 -3,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.288 67.5 130.2 -89.4 7.7 14.5 1.3 -29.8 98 466 A V < - 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