==== 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 3VF9 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE SYK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.R.MCLEAN,Y.ZHANG . 264 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 14.4 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 . 20 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 31.8 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 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 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 1 364 A Y 0 0 215 0, 0.0 2,-0.2 0, 0.0 70,-0.2 0.000 360.0 360.0 360.0 144.5 -21.7 -3.2 -7.9 2 365 A L - 0 0 38 68,-2.7 2,-0.4 2,-0.0 70,-0.3 -0.717 360.0-110.6-110.2 159.5 -19.5 -6.3 -8.2 3 366 A D > - 0 0 91 -2,-0.2 4,-1.0 1,-0.1 3,-0.2 -0.737 13.1-150.4 -89.6 130.6 -19.2 -9.6 -6.3 4 367 A R T 4 S+ 0 0 99 -2,-0.4 -1,-0.1 1,-0.2 69,-0.0 0.811 96.4 59.0 -68.4 -33.3 -16.1 -10.2 -4.1 5 368 A K T 4 S+ 0 0 89 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.829 106.1 47.6 -65.5 -36.0 -16.2 -14.0 -4.7 6 369 A L T 4 S+ 0 0 71 -3,-0.2 22,-1.5 22,-0.1 2,-0.5 0.779 97.9 83.8 -74.9 -30.7 -16.0 -13.6 -8.5 7 370 A L < - 0 0 5 -4,-1.0 2,-0.6 20,-0.2 -5,-0.0 -0.665 64.2-164.5 -79.8 121.1 -13.0 -11.2 -8.2 8 371 A T - 0 0 107 -2,-0.5 2,-0.3 2,-0.0 -3,-0.1 -0.947 7.5-158.8-112.2 112.6 -9.6 -13.0 -7.8 9 372 A L - 0 0 67 -2,-0.6 2,-0.2 16,-0.2 16,-0.2 -0.713 2.2-153.0 -95.0 142.2 -6.8 -10.7 -6.5 10 373 A E - 0 0 49 14,-1.9 14,-0.1 -2,-0.3 -2,-0.0 -0.747 25.0-121.8-112.2 158.8 -3.0 -11.4 -6.9 11 374 A D S S+ 0 0 109 -2,-0.2 2,-0.5 12,-0.1 14,-0.1 0.691 79.9 109.6 -69.5 -23.0 0.1 -10.3 -4.9 12 375 A K - 0 0 60 12,-0.1 12,-2.0 1,-0.1 2,-0.6 -0.451 60.6-152.5 -63.1 105.8 1.6 -8.6 -8.0 13 376 A E E -A 23 0A 78 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.762 16.9-178.6 -87.1 118.6 1.4 -4.8 -7.2 14 377 A L E - 0 0 86 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.917 66.4 -0.6 -80.1 -50.9 1.2 -2.7 -10.4 15 378 A G E -A 22 0A 30 7,-1.7 7,-3.0 2,-0.0 2,-0.3 -0.903 56.9-162.1-140.2 165.4 1.2 0.8 -8.8 16 379 A S E +A 21 0A 91 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.980 22.1 137.2-152.7 139.5 1.3 2.6 -5.4 17 380 A G - 0 0 45 3,-1.9 3,-0.0 -2,-0.3 -2,-0.0 -0.735 65.7 -58.8-154.6-159.0 0.4 6.1 -4.1 18 381 A N S S+ 0 0 109 -2,-0.2 3,-0.1 1,-0.2 0, 0.0 0.805 127.1 55.5 -68.2 -34.6 -1.3 8.2 -1.4 19 382 A F S S- 0 0 71 1,-0.1 2,-0.3 22,-0.1 -1,-0.2 0.832 121.5-100.7 -66.3 -38.2 -4.7 6.5 -2.0 20 383 A G - 0 0 30 21,-0.3 -3,-1.9 -3,-0.0 2,-0.3 -0.847 60.4 -35.5 154.6-111.8 -3.2 3.0 -1.5 21 384 A T E -AB 16 40A 37 19,-2.3 19,-3.0 -2,-0.3 2,-0.5 -0.985 33.5-135.2-148.9 155.4 -2.2 0.5 -4.2 22 385 A V E -AB 15 39A 30 -7,-3.0 -8,-2.1 -2,-0.3 -7,-1.7 -0.968 31.0-172.9-112.5 119.3 -3.1 -0.8 -7.7 23 386 A K E -AB 13 38A 10 15,-2.3 15,-3.0 -2,-0.5 -10,-0.2 -0.902 22.8-117.8-119.6 147.6 -3.0 -4.7 -8.0 24 387 A K E B 0 37A 76 -12,-2.0 -14,-1.9 -2,-0.3 13,-0.2 -0.524 360.0 360.0 -79.0 145.1 -3.4 -7.1 -10.9 25 388 A G 0 0 21 11,-2.6 11,-3.0 -16,-0.2 -16,-0.2 -0.898 360.0 360.0-166.2 360.0 -6.3 -9.6 -10.9 26 ! 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 27 390 A Y 0 0 29 0, 0.0 7,-2.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 132.0 -12.9 -10.9 -12.5 28 391 A Q - 0 0 28 -22,-1.5 5,-0.2 5,-0.2 -22,-0.1 -0.654 360.0-170.0 -76.7 111.6 -15.2 -13.9 -13.4 29 392 A M 0 0 82 -2,-0.6 4,-0.1 3,-0.5 -1,-0.1 0.020 360.0 360.0 -87.4-164.4 -17.6 -12.6 -16.1 30 393 A K 0 0 142 2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.946 360.0 360.0 -61.9 360.0 -20.8 -14.2 -17.6 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 0 112 0, 0.0 -3,-0.5 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 125.9 -15.1 -16.0 -19.9 33 396 A V - 0 0 118 -5,-0.2 2,-0.4 -4,-0.1 -5,-0.2 -0.387 360.0-150.8 -67.1 139.4 -12.7 -14.6 -17.2 34 397 A K - 0 0 93 -7,-2.1 2,-0.2 -2,-0.1 -1,-0.0 -0.979 13.7-125.9-120.7 126.5 -11.3 -11.0 -17.8 35 398 A T - 0 0 61 -2,-0.4 47,-1.5 47,-0.1 2,-0.3 -0.489 38.5-173.3 -68.7 130.9 -7.9 -9.7 -16.5 36 399 A V E - C 0 81A 0 -11,-3.0 -11,-2.6 45,-0.2 2,-0.5 -0.919 30.4-138.0-131.8 157.0 -8.3 -6.6 -14.4 37 400 A A E -BC 24 80A 14 43,-2.9 43,-2.3 -2,-0.3 2,-0.5 -0.974 28.1-156.3-112.5 117.9 -6.4 -3.8 -12.7 38 401 A V E -BC 23 79A 0 -15,-3.0 -15,-2.3 -2,-0.5 2,-0.7 -0.909 9.4-146.9-106.7 121.2 -7.9 -3.0 -9.2 39 402 A K E -BC 22 78A 12 39,-2.6 39,-2.3 -2,-0.5 2,-0.5 -0.773 21.9-165.0 -84.9 109.5 -7.5 0.4 -7.5 40 403 A I E BC 21 77A 32 -19,-3.0 -19,-2.3 -2,-0.7 37,-0.2 -0.911 360.0 360.0-105.7 120.8 -7.4 -0.5 -3.7 41 404 A L 0 0 41 35,-2.1 -21,-0.3 -2,-0.5 -22,-0.1 -0.448 360.0 360.0 -71.3 360.0 -7.9 2.4 -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 0 153 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -37.9 -13.9 9.6 3.9 44 412 A A H > + 0 0 65 2,-0.2 4,-1.2 1,-0.2 5,-0.0 0.862 360.0 44.4 -68.5 -40.3 -12.0 11.8 1.4 45 413 A L H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.826 112.5 52.7 -72.5 -36.4 -10.5 8.8 -0.5 46 414 A K H > S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.865 110.0 47.0 -67.1 -41.5 -13.8 7.0 -0.6 47 415 A D H X S+ 0 0 63 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.808 111.8 52.8 -69.8 -32.9 -15.7 10.0 -2.1 48 416 A E H X S+ 0 0 83 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.906 109.1 47.5 -67.6 -46.9 -12.8 10.4 -4.7 49 417 A L H X S+ 0 0 6 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.839 112.5 49.8 -63.9 -38.9 -13.0 6.7 -5.8 50 418 A L H X S+ 0 0 76 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.866 113.1 45.6 -68.6 -39.7 -16.9 7.0 -6.2 51 419 A A H X S+ 0 0 56 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.840 111.8 52.8 -70.7 -35.7 -16.7 10.2 -8.2 52 420 A E H X S+ 0 0 17 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.829 110.1 49.3 -65.8 -36.8 -13.8 8.6 -10.3 53 421 A A H X S+ 0 0 9 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.852 107.1 54.0 -70.9 -40.2 -16.2 5.6 -11.0 54 422 A N H X S+ 0 0 103 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.828 109.7 48.0 -64.9 -35.7 -19.2 7.9 -12.0 55 423 A V H >X S+ 0 0 10 -4,-1.4 4,-0.6 2,-0.2 3,-0.6 0.943 112.6 47.7 -69.1 -50.0 -17.0 9.7 -14.7 56 424 A M H 3< S+ 0 0 7 -4,-1.7 3,-0.5 1,-0.2 11,-0.4 0.782 107.5 56.8 -61.5 -33.1 -15.7 6.3 -16.1 57 425 A Q H 3< S+ 0 0 66 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.808 105.0 52.2 -67.9 -33.3 -19.2 4.8 -16.2 58 426 A Q H << S+ 0 0 100 -4,-0.9 2,-0.4 -3,-0.6 -1,-0.2 0.616 97.2 86.5 -77.2 -17.5 -20.4 7.8 -18.4 59 427 A L < + 0 0 12 -4,-0.6 2,-0.3 -3,-0.5 58,-0.0 -0.747 45.4 171.8 -96.6 135.4 -17.5 7.2 -21.0 60 428 A D + 0 0 125 -2,-0.4 5,-0.1 6,-0.1 -3,-0.0 -0.839 29.4 121.0-142.8 94.4 -17.6 4.8 -23.9 61 429 A N > - 0 0 29 -2,-0.3 3,-1.5 3,-0.3 52,-0.1 -0.969 62.1-125.4-154.2 141.8 -14.6 5.1 -26.4 62 430 A P T 3 S+ 0 0 66 0, 0.0 4,-0.1 0, 0.0 51,-0.1 0.645 111.6 52.8 -67.3 -12.3 -11.9 2.6 -27.6 63 431 A Y T 3 S+ 0 0 51 78,-0.1 79,-2.3 2,-0.1 2,-0.4 0.126 96.5 80.4-108.3 19.7 -9.1 5.0 -26.4 64 432 A I B < S-e 142 0B 3 -3,-1.5 -3,-0.3 77,-0.3 79,-0.2 -0.993 91.1-106.2-126.5 129.4 -10.4 5.4 -22.8 65 433 A V - 0 0 8 77,-2.6 2,-0.3 -2,-0.4 -6,-0.1 -0.351 39.2-128.4 -57.7 126.1 -9.8 2.8 -20.1 66 434 A R - 0 0 50 -4,-0.1 15,-2.7 -2,-0.1 2,-0.4 -0.653 12.2-138.0 -84.5 137.6 -13.0 0.8 -19.4 67 435 A M E -D 80 0A 48 -11,-0.4 13,-0.3 -2,-0.3 3,-0.1 -0.825 12.3-169.1 -96.6 130.0 -14.4 0.4 -15.9 68 436 A I E - 0 0 41 11,-2.1 2,-0.3 -2,-0.4 12,-0.2 0.914 54.7 -91.1 -80.5 -48.1 -15.8 -3.0 -14.9 69 437 A G E -D 79 0A 7 10,-1.8 10,-2.2 -67,-0.0 -1,-0.3 -0.973 41.1 -65.9 162.2-168.2 -17.4 -1.7 -11.6 70 438 A I E -D 78 0A 23 -2,-0.3 -68,-2.7 8,-0.2 2,-0.3 -0.859 32.1-168.6-116.2 149.4 -17.0 -1.1 -7.9 71 439 A C E -D 77 0A 4 6,-2.4 6,-3.0 -2,-0.3 2,-0.5 -0.997 7.6-159.7-140.4 132.4 -16.5 -3.5 -4.9 72 440 A E E +D 76 0A 63 -2,-0.3 4,-0.2 -70,-0.3 -68,-0.1 -0.949 48.2 100.8-116.7 108.9 -16.6 -2.9 -1.1 73 441 A A S S+ 0 0 57 2,-1.4 3,-0.1 -2,-0.5 -1,-0.0 -0.039 89.8 2.3-144.4-109.2 -14.9 -5.5 1.1 74 442 A E S S- 0 0 97 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.782 140.5 -13.8 -61.0 -30.4 -11.4 -5.4 2.8 75 443 A S S S- 0 0 47 -4,-0.1 -2,-1.4 0, 0.0 2,-0.4 -0.922 94.6 -72.2-160.7 165.7 -11.1 -1.9 1.3 76 444 A W E - D 0 72A 91 -2,-0.3 -35,-2.1 -4,-0.2 2,-0.4 -0.589 56.9-160.9 -71.6 123.1 -13.0 0.2 -1.3 77 445 A M E -CD 40 71A 6 -6,-3.0 -6,-2.4 -2,-0.4 2,-0.6 -0.944 20.9-160.3-118.4 134.0 -12.1 -1.2 -4.8 78 446 A L E -CD 39 70A 0 -39,-2.3 -39,-2.6 -2,-0.4 2,-0.6 -0.927 17.5-156.5-110.9 102.5 -12.3 0.3 -8.3 79 447 A V E +CD 38 69A 0 -10,-2.2 -11,-2.1 -2,-0.6 -10,-1.8 -0.759 22.4 165.7 -87.1 114.6 -12.2 -2.6 -10.8 80 448 A M E -CD 37 67A 23 -43,-2.3 -43,-2.9 -2,-0.6 -13,-0.2 -0.882 42.3 -82.6-126.5 158.1 -11.0 -1.5 -14.3 81 449 A E E -C 36 0A 38 -15,-2.7 2,-0.4 -2,-0.3 -45,-0.2 -0.236 49.0-110.1 -61.4 145.4 -9.7 -3.3 -17.5 82 450 A M - 0 0 28 -47,-1.5 2,-0.8 -57,-0.1 -1,-0.1 -0.699 18.9-159.8 -85.2 127.2 -6.0 -4.4 -17.5 83 451 A A > - 0 0 10 -2,-0.4 3,-1.4 1,-0.1 51,-0.3 -0.908 12.8-161.2-105.9 93.0 -3.6 -2.7 -19.9 84 452 A E T 3 S+ 0 0 100 -2,-0.8 51,-0.2 1,-0.2 -1,-0.1 0.744 82.8 51.5 -48.2 -40.5 -0.9 -5.4 -20.1 85 453 A L T 3 S- 0 0 62 49,-1.8 -1,-0.2 1,-0.2 50,-0.2 0.646 98.5-152.9 -79.1 -14.6 2.0 -3.2 -21.4 86 454 A G E < +F 134 0B 15 -3,-1.4 48,-2.2 48,-0.7 -1,-0.2 -0.254 42.9 3.4 78.0-163.3 1.5 -0.5 -18.6 87 455 A P E > -F 133 0B 46 0, 0.0 4,-1.9 0, 0.0 46,-0.2 -0.251 59.8-131.7 -61.4 145.4 2.2 3.2 -18.6 88 456 A L H > S+ 0 0 3 44,-2.7 4,-2.2 41,-1.0 42,-0.2 0.864 104.7 52.2 -61.6 -44.1 3.6 4.9 -21.8 89 457 A N H > S+ 0 0 19 40,-0.6 4,-1.4 43,-0.2 -1,-0.2 0.901 113.0 43.5 -62.0 -45.0 6.4 6.8 -19.9 90 458 A K H > S+ 0 0 106 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.841 113.3 52.2 -69.9 -37.1 7.8 3.6 -18.2 91 459 A Y H X S+ 0 0 35 -4,-1.9 4,-1.2 2,-0.2 3,-0.3 0.911 111.3 45.2 -65.6 -46.9 7.5 1.5 -21.5 92 460 A L H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.795 108.8 57.9 -67.5 -30.3 9.4 4.0 -23.6 93 461 A Q H < S+ 0 0 67 -4,-1.4 3,-0.2 1,-0.2 -1,-0.2 0.796 115.0 37.1 -66.3 -34.0 12.1 4.3 -20.8 94 462 A Q H < S+ 0 0 143 -4,-1.1 2,-0.3 -3,-0.3 -2,-0.2 0.570 122.4 46.5 -93.3 -16.4 12.6 0.5 -21.1 95 463 A N >< + 0 0 61 -4,-1.2 3,-0.9 1,-0.1 -1,-0.2 -0.715 56.9 158.0-131.3 79.2 12.2 0.4 -24.9 96 464 A R T 3 + 0 0 173 -2,-0.3 -1,-0.1 -3,-0.2 -4,-0.1 0.622 69.5 71.1 -75.3 -15.4 14.3 3.3 -26.5 97 465 A H T 3 + 0 0 102 2,-0.0 -1,-0.2 -5,-0.0 2,-0.2 0.323 66.9 131.0 -84.0 5.6 14.3 1.5 -29.9 98 466 A V < - 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