==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-AUG-10 3OCS . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE BTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.DAVIES,S.L.GALLION,B.L.STAKER . 264 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 70.1 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 . 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 38 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 29.9 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 1 0 1 1 0 2 0 0 1 0 1 0 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 . 2 0 1 1 1 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 . 0 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 1 395 A W 0 0 88 0, 0.0 68,-2.4 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 111.3 -52.5 4.0 -1.7 2 396 A E B -a 69 0A 86 66,-0.2 2,-0.3 68,-0.1 68,-0.2 -0.797 360.0-149.3 -82.0 108.9 -55.7 5.4 -0.2 3 397 A I - 0 0 20 66,-2.7 68,-0.1 -2,-0.8 5,-0.0 -0.615 15.6-119.1 -82.1 141.1 -55.2 5.1 3.5 4 398 A D > - 0 0 88 -2,-0.3 3,-2.3 1,-0.2 4,-0.2 -0.737 16.6-146.5 -79.2 116.2 -58.3 4.5 5.7 5 399 A P G > S+ 0 0 53 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.782 97.0 69.3 -60.4 -24.6 -58.5 7.6 8.0 6 400 A K G 3 S+ 0 0 84 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.752 92.5 60.8 -59.1 -24.3 -59.9 5.3 10.7 7 401 A D G < S+ 0 0 39 -3,-2.3 21,-2.9 21,-0.1 22,-0.5 0.483 90.2 87.6 -82.3 -4.8 -56.4 3.8 10.8 8 402 A L E < -B 27 0A 19 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.833 55.9-167.2-102.1 130.9 -54.8 7.2 11.9 9 403 A T E -B 26 0A 71 17,-2.5 17,-2.1 -2,-0.4 2,-0.3 -0.975 17.7-141.4-114.7 116.5 -54.5 8.4 15.5 10 404 A F E +B 25 0A 86 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.641 31.1 162.1 -77.5 136.8 -53.5 12.1 15.8 11 405 A L E + 0 0 93 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.698 53.0 8.5-123.6 -37.6 -51.0 12.6 18.7 12 406 A K E -B 24 0A 42 12,-2.0 12,-3.0 0, 0.0 2,-0.4 -0.998 64.3-112.7-155.1 145.4 -49.2 16.0 18.4 13 407 A E E -B 23 0A 125 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.701 23.9-175.0 -78.9 131.7 -49.2 19.2 16.5 14 408 A L E - 0 0 81 8,-2.7 2,-0.3 1,-0.4 9,-0.2 0.446 46.5-104.8-105.5 -5.0 -46.0 19.6 14.4 15 409 A G E -B 22 0A 35 7,-0.7 7,-2.7 2,-0.0 -1,-0.4 -0.725 43.0 -58.3 113.6-163.7 -46.7 23.1 13.2 16 410 A T E +B 21 0A 114 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.934 43.6 175.8-126.7 140.5 -47.9 24.7 9.9 17 411 A G E > -B 20 0A 41 3,-3.4 3,-2.3 -2,-0.4 -2,-0.0 -0.540 56.5 -65.7-127.2-162.0 -46.4 24.6 6.4 18 412 A Q T 3 S+ 0 0 69 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.813 135.8 45.4 -74.1 -23.8 -47.4 25.8 3.0 19 413 A F T 3 S- 0 0 16 1,-0.2 20,-2.9 133,-0.1 2,-0.4 0.239 117.5-113.7 -76.8 12.0 -50.4 23.5 3.1 20 414 A G E < S+B 17 0A 8 -3,-2.3 -3,-3.4 18,-0.2 -1,-0.2 -0.759 73.5 24.8 97.4-141.5 -51.4 24.3 6.6 21 415 A V E -B 16 0A 47 -2,-0.4 16,-3.1 16,-0.3 2,-0.4 -0.348 54.1-169.4 -77.4 139.1 -51.4 22.1 9.6 22 416 A V E -BC 15 36A 28 -7,-2.7 -8,-2.7 14,-0.2 -7,-0.7 -0.978 9.2-167.7-123.5 138.6 -49.2 19.1 10.0 23 417 A K E -BC 13 35A 35 12,-2.5 12,-3.2 -2,-0.4 2,-0.4 -0.919 20.1-130.8-127.7 153.0 -49.6 16.5 12.8 24 418 A Y E +BC 12 34A 42 -12,-3.0 -13,-3.0 -2,-0.3 -12,-2.0 -0.823 46.5 139.3 -94.4 137.2 -47.6 13.6 14.3 25 419 A G E -BC 10 33A 0 8,-2.5 8,-2.3 -2,-0.4 2,-0.3 -0.892 45.0 -97.1-157.1-171.3 -49.6 10.4 14.7 26 420 A K E -BC 9 32A 54 -17,-2.1 -17,-2.5 -2,-0.3 2,-0.5 -0.929 19.0-140.7-122.1 147.0 -49.7 6.7 14.4 27 421 A W E >> S-BC 8 31A 66 4,-2.3 4,-2.0 -2,-0.3 3,-1.9 -0.951 90.7 -9.5-105.0 128.7 -50.9 4.4 11.6 28 422 A R T 34 S- 0 0 160 -21,-2.9 -1,-0.2 -2,-0.5 -20,-0.1 0.841 121.7 -71.3 48.0 40.4 -52.7 1.2 13.0 29 423 A G T 34 S+ 0 0 56 -22,-0.5 -1,-0.3 -3,-0.2 3,-0.1 0.583 130.1 63.0 63.7 12.3 -51.5 2.1 16.4 30 424 A Q T <4 S+ 0 0 133 -3,-1.9 2,-0.5 1,-0.2 -2,-0.2 0.685 77.7 69.8-130.9 -49.9 -47.9 1.3 15.6 31 425 A Y E < S-C 27 0A 137 -4,-2.0 -4,-2.3 1,-0.1 -1,-0.2 -0.683 70.7-128.3 -91.0 127.4 -46.1 3.3 12.9 32 426 A D E +C 26 0A 63 -2,-0.5 50,-0.7 -6,-0.2 2,-0.3 -0.478 39.4 167.1 -63.2 133.5 -45.1 6.9 13.4 33 427 A V E -CD 25 81A 2 -8,-2.3 -8,-2.5 -2,-0.2 2,-0.4 -0.953 34.5-129.0-141.8 160.0 -46.3 9.1 10.6 34 428 A A E -CD 24 80A 10 46,-2.4 46,-3.0 -2,-0.3 2,-0.5 -0.932 22.9-157.0-103.5 142.8 -46.7 12.7 9.8 35 429 A I E -CD 23 79A 0 -12,-3.2 -12,-2.5 -2,-0.4 2,-0.5 -0.966 3.1-156.9-124.6 112.7 -50.1 13.8 8.5 36 430 A K E -CD 22 78A 24 42,-2.9 42,-1.7 -2,-0.5 2,-0.8 -0.785 7.5-153.1 -84.4 128.7 -50.6 17.0 6.4 37 431 A M E - D 0 77A 39 -16,-3.1 2,-0.8 -2,-0.5 -16,-0.3 -0.914 22.5-132.8 -99.1 109.9 -54.1 18.3 6.6 38 432 A I - 0 0 0 38,-2.5 38,-0.4 -2,-0.8 -18,-0.2 -0.514 17.9-129.6 -73.6 105.9 -54.4 20.1 3.3 39 433 A K > - 0 0 130 -20,-2.9 3,-2.4 -2,-0.8 4,-0.4 -0.277 32.7-100.8 -55.3 129.4 -55.9 23.6 4.0 40 434 A E T 3 S+ 0 0 85 1,-0.3 -1,-0.1 2,-0.1 34,-0.0 -0.301 108.0 15.5 -57.0 133.0 -58.9 24.2 1.7 41 435 A G T 3 S+ 0 0 57 2,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.284 102.7 95.3 88.2 -10.2 -57.8 26.5 -1.2 42 436 A S S < S+ 0 0 7 -3,-2.4 111,-2.5 -23,-0.1 2,-0.4 0.681 82.3 44.9 -88.5 -17.5 -54.0 26.0 -0.5 43 437 A M B S-F 152 0B 6 -4,-0.4 2,-1.7 109,-0.2 -2,-0.3 -0.955 76.8-122.6-133.7 146.4 -53.5 23.2 -3.1 44 438 A S > + 0 0 45 107,-2.5 4,-2.0 -2,-0.4 5,-0.1 -0.656 47.3 175.5 -81.3 81.3 -54.4 22.3 -6.7 45 439 A E H > + 0 0 56 -2,-1.7 4,-3.3 2,-0.2 5,-0.3 0.866 66.5 48.7 -71.0 -46.0 -56.0 19.2 -5.3 46 440 A D H > S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 114.1 50.1 -66.4 -36.1 -57.6 17.5 -8.3 47 441 A E H > S+ 0 0 34 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.898 114.2 45.6 -58.4 -45.0 -54.3 18.1 -10.2 48 442 A F H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 3,-0.5 0.950 115.3 44.3 -63.4 -52.7 -52.5 16.5 -7.2 49 443 A I H < S+ 0 0 77 -4,-3.3 3,-0.5 1,-0.3 4,-0.3 0.923 112.2 54.7 -61.6 -44.3 -54.9 13.5 -6.8 50 444 A E H < S+ 0 0 157 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.829 123.2 26.1 -55.2 -32.1 -54.8 13.1 -10.6 51 445 A E H >X S+ 0 0 45 -4,-1.2 3,-0.7 -3,-0.5 4,-0.5 0.410 89.2 102.5-117.2 2.5 -51.0 12.8 -10.5 52 446 A A H 3X + 0 0 2 -4,-1.5 4,-2.2 -3,-0.5 5,-0.2 0.610 61.8 77.5 -70.0 -17.6 -49.9 11.6 -7.0 53 447 A K H 3> S+ 0 0 65 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.903 92.2 53.5 -62.5 -41.9 -49.2 7.9 -7.8 54 448 A V H <4 S+ 0 0 93 -3,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.904 110.1 48.6 -56.3 -42.9 -45.8 8.7 -9.4 55 449 A M H >< S+ 0 0 1 -4,-0.5 3,-1.2 1,-0.2 11,-0.4 0.908 111.1 48.8 -67.4 -43.3 -44.8 10.6 -6.2 56 450 A M H 3< S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 106.1 58.6 -66.4 -31.6 -45.9 7.7 -3.9 57 451 A N T 3< S+ 0 0 131 -4,-2.3 2,-0.6 -5,-0.2 -1,-0.2 0.522 77.8 105.6 -76.9 -4.9 -44.0 5.2 -6.0 58 452 A L < + 0 0 7 -3,-1.2 2,-0.4 -4,-0.3 8,-0.4 -0.697 52.8 176.6 -73.5 118.3 -40.8 7.2 -5.4 59 453 A S + 0 0 74 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.947 13.9 131.7-136.9 113.9 -39.0 4.9 -2.9 60 454 A H > - 0 0 51 -2,-0.4 3,-1.5 3,-0.2 5,-0.1 -0.981 58.2-118.0-158.4 148.0 -35.5 5.4 -1.5 61 455 A E T 3 S+ 0 0 111 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.798 114.6 50.6 -61.2 -27.1 -33.9 5.3 2.0 62 456 A K T 3 S+ 0 0 20 80,-0.1 81,-2.6 2,-0.1 2,-0.4 0.293 94.9 84.5-101.0 12.5 -33.0 9.0 1.7 63 457 A L B < S-g 143 0C 0 -3,-1.5 2,-1.0 79,-0.3 -3,-0.2 -0.906 84.5-121.1-102.4 141.0 -36.4 10.3 0.7 64 458 A V - 0 0 4 79,-2.7 81,-0.4 -2,-0.4 82,-0.2 -0.759 47.8-125.2 -76.3 105.0 -39.1 11.1 3.3 65 459 A Q - 0 0 32 -2,-1.0 16,-2.4 -5,-0.1 2,-0.8 -0.235 9.1-139.1 -61.6 136.4 -41.6 8.6 1.9 66 460 A L E - E 0 80A 4 -8,-0.4 14,-0.3 -11,-0.4 3,-0.1 -0.897 23.9-176.1 -86.2 108.9 -45.1 9.6 0.9 67 461 A Y E - 0 0 102 12,-2.0 2,-0.3 -2,-0.8 13,-0.2 0.826 49.5 -59.0 -78.1 -38.1 -47.0 6.6 2.2 68 462 A G E - E 0 79A 0 11,-1.6 11,-2.9 -3,-0.1 2,-0.3 -0.986 46.1-104.3 175.8-173.1 -50.5 7.5 1.0 69 463 A V E -aE 2 78A 10 -68,-2.4 -66,-2.7 -2,-0.3 2,-0.5 -0.884 7.9-142.9-134.2 160.2 -53.4 9.9 0.9 70 464 A C E + E 0 77A 0 7,-2.1 7,-2.1 -2,-0.3 3,-0.1 -0.962 34.1 154.2-123.7 112.6 -56.9 10.3 2.3 71 465 A T + 0 0 33 -2,-0.5 5,-0.1 5,-0.2 -1,-0.1 0.346 48.2 86.4-121.2 4.7 -59.1 11.8 -0.4 72 466 A K S S+ 0 0 171 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.345 97.1 36.0 -92.2 7.8 -62.7 10.7 0.5 73 467 A Q S S- 0 0 57 -3,-0.1 4,-0.1 2,-0.1 -3,-0.1 -0.837 93.5 -78.8-141.9 173.9 -63.1 13.6 2.9 74 468 A R S S+ 0 0 92 -2,-0.3 2,-0.1 1,-0.1 -35,-0.1 -0.993 107.3 39.4-127.7 137.4 -62.1 17.3 3.2 75 469 A P S S- 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -36,-0.1 0.588 93.5-136.2 -69.4 150.3 -59.5 18.4 4.0 76 470 A I - 0 0 6 -38,-0.4 -38,-2.5 -2,-0.1 2,-0.4 -0.358 17.4-136.1 -69.4 155.7 -57.5 15.7 2.2 77 471 A F E -DE 37 70A 27 -7,-2.1 -7,-2.1 -40,-0.2 2,-0.5 -0.938 11.7-159.3-114.5 144.4 -54.6 14.1 4.1 78 472 A I E -DE 36 69A 1 -42,-1.7 -42,-2.9 -2,-0.4 2,-0.5 -0.995 16.1-156.7-117.2 122.3 -51.1 13.4 2.9 79 473 A I E +DE 35 68A 1 -11,-2.9 -12,-2.0 -2,-0.5 -11,-1.6 -0.887 20.5 168.5-105.3 125.6 -49.4 10.7 5.1 80 474 A T E -DE 34 66A 11 -46,-3.0 -46,-2.4 -2,-0.5 -14,-0.2 -0.838 41.2 -74.3-128.7 168.9 -45.6 10.6 5.2 81 475 A E E -D 33 0A 26 -16,-2.4 2,-0.4 -2,-0.3 -48,-0.2 -0.275 51.6-122.6 -51.3 142.4 -42.6 9.1 7.0 82 476 A Y - 0 0 63 -50,-0.7 2,-0.5 -49,-0.1 -50,-0.1 -0.829 19.8-163.2 -98.4 138.9 -42.0 10.7 10.4 83 477 A M > - 0 0 9 -2,-0.4 3,-1.8 53,-0.1 52,-0.2 -0.955 5.8-158.3-127.2 107.1 -38.7 12.3 11.1 84 478 A A T 3 S+ 0 0 50 -2,-0.5 52,-0.2 1,-0.3 -1,-0.1 0.734 87.3 54.2 -65.8 -29.2 -38.2 12.9 14.9 85 479 A N T 3 S- 0 0 72 50,-2.0 -1,-0.3 1,-0.2 51,-0.2 0.398 97.2-144.3 -88.6 6.2 -35.5 15.6 14.6 86 480 A G < + 0 0 31 -3,-1.8 49,-2.4 49,-0.3 -1,-0.2 -0.191 52.0 0.7 67.9-157.7 -37.6 17.9 12.3 87 481 A C B > -H 134 0C 29 47,-0.2 4,-2.2 1,-0.1 47,-0.3 -0.277 61.2-128.5 -75.9 144.8 -36.1 20.1 9.5 88 482 A L H > S+ 0 0 0 45,-2.8 4,-2.9 42,-0.7 5,-0.2 0.864 105.5 61.3 -53.1 -42.1 -32.4 20.1 8.6 89 483 A L H > S+ 0 0 41 41,-1.1 4,-1.7 44,-0.4 -1,-0.2 0.943 110.8 38.5 -57.8 -50.4 -32.2 23.9 8.8 90 484 A N H > S+ 0 0 96 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.883 113.3 55.9 -64.2 -37.5 -33.3 24.0 12.5 91 485 A Y H X S+ 0 0 39 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.920 107.5 50.6 -61.7 -44.5 -31.2 20.9 13.3 92 486 A L H < S+ 0 0 0 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.911 113.8 43.4 -55.8 -48.7 -28.1 22.6 11.9 93 487 A R H >< S+ 0 0 126 -4,-1.7 3,-0.7 -5,-0.2 -2,-0.2 0.896 113.1 52.0 -68.9 -38.7 -28.7 25.7 14.0 94 488 A E H 3< S+ 0 0 160 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.761 122.3 29.4 -66.9 -30.5 -29.6 23.8 17.2 95 489 A M T >X S+ 0 0 63 -4,-1.6 3,-3.0 -5,-0.2 4,-0.8 0.150 80.8 130.4-118.1 15.0 -26.5 21.6 17.2 96 490 A R G X4 S+ 0 0 62 -3,-0.7 3,-0.5 -4,-0.3 -1,-0.1 0.772 71.9 48.9 -42.1 -42.4 -24.2 24.1 15.4 97 491 A H G 34 S+ 0 0 181 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.496 108.5 54.8 -83.8 -1.2 -21.4 23.8 18.0 98 492 A R G <4 S+ 0 0 184 -3,-3.0 2,-0.2 2,-0.1 -1,-0.2 0.572 77.1 107.6-107.7 -19.5 -21.3 19.9 18.0 99 493 A F << - 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