==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-APR-13 4KAO . COMPND 2 MOLECULE: FOCAL ADHESION KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.MUSIL,U.GRAEDLER,T.HEINRICH,M.LEHMANN,V.DRESING . 506 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 14.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 27 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 0 1 3 0 0 0 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 4 2 4 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 . 0 0 2 0 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 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 1 415 A Y 0 0 180 0, 0.0 72,-1.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -40.1 14.9 -2.2 9.9 2 416 A E B -a 73 0A 92 70,-0.2 2,-0.4 72,-0.1 72,-0.2 -0.498 360.0-156.7 -69.5 130.3 16.5 0.2 12.5 3 417 A I - 0 0 9 70,-1.8 2,-0.3 -2,-0.2 72,-0.1 -0.869 18.0-119.3-110.0 141.7 14.4 3.4 13.1 4 418 A Q > - 0 0 102 -2,-0.4 3,-1.1 1,-0.1 4,-0.2 -0.682 21.4-131.1 -78.3 132.1 15.8 6.7 14.4 5 419 A R G > S+ 0 0 56 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.815 104.9 65.0 -51.2 -38.5 14.0 7.6 17.7 6 420 A E G 3 S+ 0 0 142 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.826 93.4 59.2 -55.7 -39.1 13.3 11.2 16.3 7 421 A R G < S+ 0 0 56 -3,-1.1 21,-2.0 20,-0.1 2,-0.5 0.495 97.5 77.3 -71.3 -5.1 11.0 9.7 13.5 8 422 A I E < -B 27 0A 14 -3,-1.8 2,-0.5 -4,-0.2 19,-0.2 -0.949 60.2-167.0-115.3 121.4 8.8 8.3 16.3 9 423 A E E -B 26 0A 145 17,-2.5 17,-2.0 -2,-0.5 2,-0.4 -0.928 21.6-138.6-106.0 118.3 6.3 10.3 18.4 10 424 A L E +B 25 0A 66 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.701 26.1 177.0 -86.3 127.1 5.0 8.4 21.5 11 425 A G E - 0 0 31 13,-2.5 14,-0.1 -2,-0.4 3,-0.1 -0.153 37.2 -30.7-107.7-159.2 1.4 8.6 22.5 12 426 A R E - 0 0 187 11,-0.1 12,-2.5 1,-0.1 2,-0.3 -0.165 64.8 -97.8 -61.5 149.1 -1.0 7.1 25.1 13 427 A C E -B 23 0A 62 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.546 34.1-174.4 -69.5 124.8 -0.7 3.6 26.7 14 428 A I E - 0 0 81 8,-2.6 2,-0.2 1,-0.4 9,-0.2 0.152 60.4 -49.5-108.0 13.2 -3.1 1.1 24.7 15 429 A G E -B 22 0A 34 7,-0.7 7,-3.2 2,-0.0 -1,-0.4 -0.728 63.9 -75.9 137.1 171.1 -2.5 -1.9 27.0 16 430 A E E -B 21 0A 168 5,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.762 34.9-168.4-106.7 150.4 0.2 -4.0 28.7 17 431 A G - 0 0 34 3,-1.7 5,-0.0 -2,-0.3 132,-0.0 -0.677 42.2 -87.0-123.3 179.4 2.5 -6.7 27.3 18 432 A Q S S+ 0 0 152 -2,-0.2 3,-0.1 1,-0.2 22,-0.1 0.792 125.7 26.8 -58.2 -37.7 4.8 -9.4 28.6 19 433 A F S S- 0 0 35 1,-0.3 22,-2.4 20,-0.2 23,-0.4 0.510 131.0 -49.9-106.1 -12.3 7.9 -7.1 28.9 20 434 A G S S- 0 0 18 20,-0.2 -3,-1.7 21,-0.1 -1,-0.3 -0.958 80.3 -27.3 163.7-173.8 6.2 -3.7 29.3 21 435 A D E -B 16 0A 56 -2,-0.3 18,-2.4 -5,-0.2 2,-0.5 -0.186 43.1-139.6 -65.6 152.3 3.5 -1.3 28.1 22 436 A V E -BC 15 38A 27 -7,-3.2 -8,-2.6 16,-0.2 -7,-0.7 -0.962 25.9-173.3-112.8 126.0 2.2 -1.0 24.6 23 437 A H E -BC 13 37A 35 14,-2.6 14,-3.2 -2,-0.5 2,-0.3 -0.793 19.8-128.9-115.8 163.3 1.6 2.6 23.4 24 438 A Q E + C 0 36A 70 -12,-2.5 -13,-2.5 -2,-0.3 2,-0.3 -0.704 42.4 138.6-104.1 163.8 0.1 4.1 20.3 25 439 A G E -BC 10 35A 6 10,-1.7 10,-2.8 -2,-0.3 2,-0.3 -0.952 44.3 -87.7-176.8-169.1 2.0 6.8 18.3 26 440 A I E -BC 9 34A 94 -17,-2.0 -17,-2.5 8,-0.3 2,-0.4 -0.978 23.7-160.3-130.1 144.1 2.9 8.1 14.9 27 441 A Y E -BC 8 33A 48 6,-2.7 6,-2.7 -2,-0.3 2,-0.5 -0.985 3.8-161.2-121.9 133.9 5.9 7.4 12.5 28 442 A M 0 0 95 -21,-2.0 4,-0.2 -2,-0.4 -2,-0.0 -0.971 360.0 360.0-119.9 121.9 7.2 9.6 9.7 29 443 A S 0 0 72 -2,-0.5 395,-0.1 2,-0.0 393,-0.1 -0.862 360.0 360.0 -98.2 360.0 9.4 8.2 6.9 30 ! 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 31 447 A P 0 0 135 0, 0.0 2,-0.2 0, 0.0 393,-0.1 0.000 360.0 360.0 360.0 -84.2 4.2 9.7 4.6 32 448 A A - 0 0 77 -4,-0.2 2,-0.4 2,-0.0 -4,-0.2 -0.766 360.0-171.8-165.1 111.5 2.7 9.5 8.2 33 449 A L E -C 27 0A 76 -6,-2.7 -6,-2.7 -2,-0.2 2,-0.4 -0.923 24.3-130.2-114.9 137.1 1.6 6.2 9.9 34 450 A A E -C 26 0A 48 -2,-0.4 51,-1.2 -8,-0.2 2,-0.3 -0.677 42.7-172.3 -80.2 129.2 -0.3 5.5 13.1 35 451 A V E -CD 25 84A 0 -10,-2.8 -10,-1.7 -2,-0.4 2,-0.4 -0.882 29.9-128.3-130.0 161.7 1.8 2.8 15.0 36 452 A A E -CD 24 83A 12 47,-3.0 47,-3.1 -2,-0.3 2,-0.5 -0.903 24.8-156.8-104.6 130.1 1.9 0.5 18.1 37 453 A I E -CD 23 82A 0 -14,-3.2 -14,-2.6 -2,-0.4 2,-0.5 -0.948 1.7-159.6-115.9 114.0 5.0 0.8 20.3 38 454 A K E -CD 22 81A 41 43,-2.9 43,-2.0 -2,-0.5 -16,-0.2 -0.807 14.9-162.6 -92.8 122.5 6.1 -2.2 22.5 39 455 A T E - D 0 80A 25 -18,-2.4 2,-0.4 -2,-0.5 -20,-0.2 -0.563 10.2-145.9-101.7 168.3 8.3 -1.2 25.3 40 456 A a > - 0 0 13 39,-0.6 3,-0.8 -2,-0.2 39,-0.3 -0.925 6.5-168.3-144.5 107.3 10.6 -3.3 27.5 41 457 A K T 3 S+ 0 0 179 -22,-2.4 3,-0.2 -2,-0.4 -1,-0.1 0.917 89.5 34.1 -58.8 -51.0 11.2 -2.4 31.2 42 458 A N T > S+ 0 0 99 -23,-0.4 3,-1.3 1,-0.2 6,-0.3 -0.137 74.7 125.7-105.0 39.2 14.1 -4.8 31.9 43 459 A a T < + 0 0 5 -3,-0.8 -1,-0.2 1,-0.3 6,-0.1 0.391 54.9 81.8 -83.6 11.4 15.9 -4.7 28.5 44 460 A T T 3 S+ 0 0 119 -3,-0.2 2,-0.5 4,-0.1 -1,-0.3 0.783 78.1 83.9 -77.4 -26.8 19.2 -3.7 30.1 45 461 A S S <> S- 0 0 51 -3,-1.3 4,-2.5 1,-0.1 3,-0.5 -0.684 78.6-147.9 -77.8 117.9 19.4 -7.4 30.8 46 462 A D H > S+ 0 0 131 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.846 99.2 56.6 -54.2 -39.1 20.9 -9.1 27.6 47 463 A S H > S+ 0 0 88 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.832 111.1 40.2 -59.7 -45.9 18.8 -12.2 28.4 48 464 A V H > S+ 0 0 37 -3,-0.5 4,-2.3 -6,-0.3 -2,-0.2 0.835 114.0 54.3 -75.8 -38.2 15.4 -10.2 28.5 49 465 A R H X S+ 0 0 74 -4,-2.5 4,-3.1 -7,-0.2 -2,-0.2 0.877 106.8 52.7 -62.0 -41.0 16.4 -8.1 25.4 50 466 A E H X S+ 0 0 119 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.899 112.6 42.7 -60.8 -49.9 17.1 -11.3 23.5 51 467 A K H < S+ 0 0 120 -4,-1.3 4,-0.5 2,-0.2 -2,-0.2 0.860 117.6 47.7 -65.2 -40.6 13.6 -12.7 24.3 52 468 A F H >< S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.926 113.8 44.7 -66.7 -49.9 11.9 -9.3 23.6 53 469 A L H >X S+ 0 0 26 -4,-3.1 4,-1.5 1,-0.2 3,-0.5 0.614 93.1 81.8 -75.5 -10.1 13.7 -8.6 20.3 54 470 A Q H 3X S+ 0 0 74 -4,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.843 84.6 62.4 -62.1 -32.0 13.1 -12.3 19.1 55 471 A E H <> S+ 0 0 53 -3,-0.9 4,-2.3 -4,-0.5 -1,-0.2 0.900 104.5 45.4 -57.7 -45.4 9.6 -11.1 18.1 56 472 A A H <> S+ 0 0 7 -3,-0.5 4,-1.5 -4,-0.3 -1,-0.2 0.866 110.1 54.7 -64.9 -42.8 11.1 -8.6 15.6 57 473 A L H < S+ 0 0 111 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.871 114.3 40.8 -57.2 -45.7 13.5 -11.3 14.2 58 474 A T H >< S+ 0 0 54 -4,-2.2 3,-0.8 1,-0.2 4,-0.2 0.913 115.2 49.3 -70.8 -50.9 10.5 -13.6 13.5 59 475 A M H >< S+ 0 0 39 -4,-2.3 3,-1.1 1,-0.2 11,-0.3 0.674 93.2 77.4 -64.1 -25.7 8.1 -11.0 12.1 60 476 A R T 3< S+ 0 0 152 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.819 86.6 58.8 -56.7 -37.1 10.6 -9.5 9.7 61 477 A Q T < S+ 0 0 127 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.2 0.645 93.2 83.9 -70.5 -16.8 10.3 -12.3 7.1 62 478 A F < + 0 0 33 -3,-1.1 8,-0.3 -4,-0.2 2,-0.2 -0.674 43.6 170.0-100.2 142.2 6.6 -11.8 6.5 63 479 A D + 0 0 65 -2,-0.3 241,-0.3 6,-0.1 5,-0.1 -0.783 24.7 133.1-149.1 98.1 4.7 -9.3 4.2 64 480 A H > - 0 0 9 3,-0.4 3,-1.7 -2,-0.2 53,-0.1 -0.988 57.3-125.4-147.6 140.7 1.0 -9.8 3.8 65 481 A P T 3 S+ 0 0 16 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.712 113.0 43.5 -60.5 -18.8 -2.1 -7.3 3.9 66 482 A H T 3 S+ 0 0 30 47,-0.1 80,-2.9 79,-0.1 2,-0.4 0.070 98.8 82.2-116.8 25.2 -3.8 -9.5 6.6 67 483 A I B < S-f 146 0B 20 -3,-1.7 -3,-0.4 78,-0.3 80,-0.2 -0.997 92.7-102.9-125.0 130.6 -0.8 -10.2 8.8 68 484 A V - 0 0 16 78,-2.4 2,-0.4 -2,-0.4 -6,-0.1 -0.249 43.0-130.6 -52.0 133.8 0.3 -7.6 11.4 69 485 A K - 0 0 85 -4,-0.1 15,-2.3 -6,-0.1 2,-0.5 -0.767 2.1-135.6 -97.7 138.5 3.3 -5.7 10.0 70 486 A L E - E 0 83A 27 -2,-0.4 13,-0.2 -11,-0.3 3,-0.1 -0.791 16.7-173.8 -87.1 123.0 6.6 -5.0 11.8 71 487 A I E - 0 0 32 11,-2.7 2,-0.3 -2,-0.5 12,-0.2 0.863 53.4 -83.5 -85.2 -37.0 7.5 -1.3 11.1 72 488 A G E - E 0 82A 2 10,-1.8 10,-3.2 -69,-0.0 -1,-0.4 -0.979 38.2 -92.7 159.6-169.2 10.9 -1.7 12.8 73 489 A V E -aE 2 81A 12 -72,-1.6 -70,-1.8 -2,-0.3 2,-0.6 -0.978 8.0-145.5-142.0 147.2 13.0 -1.6 15.9 74 490 A I E - E 0 80A 4 6,-2.2 6,-1.5 -2,-0.3 -70,-0.1 -0.974 19.2-178.0-112.9 105.9 15.0 0.8 18.1 75 491 A T + 0 0 47 -2,-0.6 4,-0.2 4,-0.2 2,-0.1 0.673 54.9 92.2 -82.9 -18.9 17.9 -1.3 19.5 76 492 A E S S- 0 0 131 2,-0.2 4,-0.2 1,-0.1 -2,-0.1 -0.490 96.5 -61.0 -73.8 146.0 19.4 1.5 21.6 77 493 A N S S+ 0 0 72 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.563 128.8 49.2 -73.1 128.7 18.1 1.6 25.2 78 494 A P S S- 0 0 75 0, 0.0 2,-0.2 0, 0.0 -2,-0.2 0.308 94.6-152.8 -74.5 124.9 15.1 2.1 25.8 79 495 A V - 0 0 1 -39,-0.3 -39,-0.6 -4,-0.2 2,-0.3 -0.520 17.1-177.7 -76.4 134.3 14.5 -0.7 23.2 80 496 A W E -DE 39 74A 31 -6,-1.5 -6,-2.2 -2,-0.2 2,-0.5 -0.952 23.2-144.5-129.3 151.0 11.1 -0.5 21.4 81 497 A I E -DE 38 73A 0 -43,-2.0 -43,-2.9 -2,-0.3 2,-0.6 -0.982 19.1-149.7-116.3 124.3 9.4 -2.7 18.8 82 498 A I E +DE 37 72A 0 -10,-3.2 -11,-2.7 -2,-0.5 -10,-1.8 -0.890 21.1 177.4-102.1 118.2 7.3 -0.6 16.3 83 499 A M E -DE 36 70A 15 -47,-3.1 -47,-3.0 -2,-0.6 -13,-0.2 -0.796 38.4 -94.9-114.7 161.1 4.2 -2.4 14.9 84 500 A E E -D 35 0A 25 -15,-2.3 2,-0.4 -2,-0.3 -49,-0.2 -0.496 50.2-115.6 -70.6 137.2 1.4 -1.4 12.5 85 501 A L - 0 0 21 -51,-1.2 2,-0.7 -2,-0.2 -51,-0.1 -0.719 21.7-164.4 -86.9 131.0 -1.5 -0.2 14.6 86 502 A C > - 0 0 9 -2,-0.4 3,-1.2 1,-0.1 52,-0.2 -0.939 12.6-169.8-111.0 92.8 -4.8 -2.1 14.5 87 503 A T T 3 S+ 0 0 86 -2,-0.7 52,-0.2 52,-0.5 -1,-0.1 0.717 77.4 57.8 -59.3 -33.6 -7.1 0.7 16.1 88 504 A L T 3 S- 0 0 55 50,-1.8 -1,-0.2 1,-0.2 51,-0.2 0.481 96.4-155.3 -85.8 3.3 -10.2 -1.4 16.6 89 505 A G < + 0 0 24 -3,-1.2 49,-2.7 49,-0.4 -1,-0.2 -0.184 45.0 16.3 66.7-154.1 -8.3 -3.9 18.8 90 506 A E B > -G 137 0B 120 47,-0.2 4,-2.1 1,-0.1 47,-0.2 -0.271 60.5-136.9 -59.6 130.8 -8.9 -7.6 19.6 91 507 A L H > S+ 0 0 0 45,-2.4 4,-2.9 42,-0.5 5,-0.2 0.856 100.1 58.7 -57.4 -43.6 -11.4 -9.5 17.4 92 508 A R H > S+ 0 0 57 41,-0.4 4,-2.0 44,-0.3 -1,-0.2 0.922 111.4 39.4 -55.3 -51.2 -13.1 -11.3 20.3 93 509 A S H > S+ 0 0 52 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.910 114.6 55.2 -64.2 -44.4 -14.2 -8.0 22.0 94 510 A F H X S+ 0 0 8 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.914 111.6 43.6 -54.0 -48.5 -15.0 -6.4 18.6 95 511 A L H < S+ 0 0 0 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.841 115.4 47.8 -66.1 -41.8 -17.4 -9.3 17.8 96 512 A Q H >< S+ 0 0 92 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.952 119.5 38.5 -63.6 -52.6 -19.0 -9.4 21.3 97 513 A V H 3< S+ 0 0 117 -4,-3.1 3,-0.4 1,-0.2 -2,-0.2 0.885 123.4 39.8 -64.1 -51.3 -19.5 -5.5 21.3 98 514 A R T >X S+ 0 0 81 -4,-2.7 3,-1.8 -5,-0.3 4,-0.9 0.169 79.0 123.8 -90.1 17.6 -20.5 -5.1 17.7 99 515 A K T <4 S+ 0 0 81 -3,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.794 79.7 37.3 -45.8 -47.3 -22.6 -8.4 17.6 100 516 A Y T 34 S+ 0 0 204 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.348 115.0 55.4 -93.2 3.8 -25.9 -6.6 16.4 101 517 A S T <4 S+ 0 0 79 -3,-1.8 2,-0.6 2,-0.1 -2,-0.2 0.414 95.2 85.1-107.1 -9.1 -24.0 -4.2 14.1 102 518 A L < - 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