==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JAN-08 3BZ3 . COMPND 2 MOLECULE: FOCAL ADHESION KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.VAJDOS,E.MARR . 259 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 72.2 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 . 35 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 0 0 0 0 1 1 0 1 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 1 0 3 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 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 1 414 A D 0 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.8 22.5 23.7 10.8 2 415 A Y + 0 0 106 70,-0.1 71,-2.8 2,-0.1 2,-0.4 0.378 360.0 117.2 -99.6 0.0 20.2 20.9 9.6 3 416 A E B -a 73 0A 64 69,-0.2 2,-0.4 71,-0.1 71,-0.2 -0.585 51.3-157.0 -75.1 127.6 19.4 22.6 6.3 4 417 A I - 0 0 11 69,-2.9 2,-0.4 -2,-0.4 71,-0.1 -0.878 18.4-120.3-113.0 135.3 20.6 20.4 3.4 5 418 A Q > - 0 0 118 -2,-0.4 3,-2.0 1,-0.1 4,-0.2 -0.622 22.6-138.8 -71.9 126.0 21.4 21.5 -0.1 6 419 A R G > S+ 0 0 56 -2,-0.4 3,-2.3 1,-0.3 -1,-0.1 0.797 97.0 69.0 -61.9 -29.3 19.1 19.5 -2.4 7 420 A E G 3 S+ 0 0 161 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.661 91.8 62.3 -64.7 -16.5 21.8 18.9 -5.0 8 421 A R G < S+ 0 0 72 -3,-2.0 21,-2.9 20,-0.1 2,-0.6 0.508 92.6 79.4 -87.2 -5.6 23.4 16.6 -2.5 9 422 A I E < -B 28 0A 11 -3,-2.3 2,-0.6 19,-0.2 19,-0.2 -0.909 58.0-168.9-104.7 123.6 20.4 14.3 -2.5 10 423 A E E -B 27 0A 134 17,-2.4 17,-2.3 -2,-0.6 2,-0.2 -0.968 24.5-137.0-102.2 118.7 19.8 11.8 -5.2 11 424 A L E -B 26 0A 69 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.527 24.5-173.2 -77.0 133.0 16.2 10.5 -4.8 12 425 A G E - 0 0 33 13,-2.3 14,-0.1 1,-0.3 3,-0.1 -0.206 38.1 -38.2-108.0-154.0 15.8 6.7 -5.2 13 426 A R E - 0 0 176 11,-0.1 12,-2.3 1,-0.1 -1,-0.3 -0.155 66.3 -93.5 -72.6 163.1 12.7 4.4 -5.3 14 427 A C E -B 24 0A 58 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.576 35.2-179.6 -75.4 132.6 9.6 4.8 -3.2 15 428 A I E - 0 0 59 8,-2.9 2,-0.2 1,-0.4 9,-0.2 0.175 61.3 -33.7-120.0 14.1 9.6 2.8 0.0 16 429 A G E -B 23 0A 24 7,-0.9 7,-3.4 2,-0.0 2,-0.5 -0.823 61.4 -87.1 152.7 175.1 6.2 3.8 1.3 17 430 A E E -B 22 0A 167 5,-0.3 5,-0.2 -2,-0.2 2,-0.1 -0.942 34.0-161.5-119.7 121.7 3.5 6.4 1.7 18 431 A G - 0 0 20 3,-2.8 133,-0.1 -2,-0.5 3,-0.1 -0.387 38.0-101.0 -91.6 173.3 3.4 8.9 4.5 19 432 A Q S S+ 0 0 94 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.808 126.3 33.8 -60.9 -27.5 0.5 11.0 5.8 20 433 A F S S- 0 0 42 1,-0.4 21,-2.7 19,-0.2 22,-0.4 0.550 130.4 -56.3-106.5 -15.1 2.0 13.9 3.8 21 434 A G S S- 0 0 8 19,-0.3 -3,-2.8 20,-0.1 -1,-0.4 -0.941 77.2 -26.6 158.0-177.2 3.4 12.1 0.8 22 435 A D E -B 17 0A 52 -2,-0.3 17,-1.9 -5,-0.2 2,-0.4 -0.209 45.9-143.0 -65.1 146.3 5.7 9.4 -0.6 23 436 A V E -BC 16 38A 13 -7,-3.4 -8,-2.9 15,-0.2 -7,-0.9 -0.937 22.0-172.3-107.8 134.5 8.7 8.2 1.2 24 437 A H E -BC 14 37A 32 13,-2.0 13,-3.2 -2,-0.4 2,-0.3 -0.865 21.4-131.8-118.6 155.1 11.8 7.4 -0.9 25 438 A Q E + C 0 36A 40 -12,-2.3 -13,-2.3 -2,-0.3 2,-0.3 -0.718 44.3 141.1 -93.5 157.9 15.1 5.9 -0.2 26 439 A G E -BC 11 35A 8 9,-2.2 9,-2.8 -2,-0.3 2,-0.4 -0.958 44.8 -81.9-173.3-168.6 18.1 7.7 -1.7 27 440 A I E -BC 10 34A 89 -17,-2.3 -17,-2.4 -2,-0.3 2,-0.5 -0.959 23.4-153.5-127.3 137.0 21.7 8.8 -1.2 28 441 A Y E -B 9 0A 35 5,-2.9 2,-0.9 -2,-0.4 -19,-0.2 -0.944 4.1-158.2-114.1 118.0 23.1 11.9 0.6 29 442 A M - 0 0 94 -21,-2.9 -2,-0.0 -2,-0.5 -20,-0.0 -0.821 19.0-174.0 -93.9 101.0 26.5 13.3 -0.6 30 443 A S 0 0 74 -2,-0.9 -26,-0.0 1,-0.1 -2,-0.0 -0.667 360.0 360.0 -99.7 152.0 27.9 15.3 2.4 31 444 A P 0 0 138 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.072 360.0 360.0 -50.2 360.0 31.1 17.4 2.3 32 ! 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 33 449 A L 0 0 118 0, 0.0 -5,-2.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 118.8 25.2 7.9 3.1 34 450 A A E +C 27 0A 37 -7,-0.2 51,-1.2 51,-0.1 2,-0.3 -0.480 360.0 176.9 -68.0 131.6 21.9 6.0 2.5 35 451 A V E -CD 26 84A 0 -9,-2.8 -9,-2.2 49,-0.2 2,-0.4 -0.918 31.3-129.4-137.0 157.7 18.9 8.1 3.5 36 452 A A E -CD 25 83A 13 47,-2.7 47,-3.1 -2,-0.3 2,-0.5 -0.892 22.5-154.2-101.6 143.3 15.2 8.1 3.7 37 453 A I E -CD 24 82A 0 -13,-3.2 -13,-2.0 -2,-0.4 2,-0.5 -0.926 3.4-159.3-125.6 104.2 13.3 11.1 2.3 38 454 A K E -CD 23 81A 4 43,-2.0 43,-2.3 -2,-0.5 2,-0.2 -0.715 19.6-164.8 -70.8 124.4 9.9 12.1 3.5 39 455 A T - 0 0 13 -17,-1.9 2,-0.4 -2,-0.5 -19,-0.2 -0.704 12.3-139.8-110.5 171.0 8.3 14.2 0.9 40 456 A a > - 0 0 8 39,-0.5 3,-1.2 -2,-0.2 39,-0.3 -0.900 5.7-163.7-141.6 100.8 5.2 16.5 1.2 41 457 A K T 3 S+ 0 0 110 -21,-2.7 3,-0.2 -2,-0.4 -1,-0.1 0.855 89.3 27.0 -53.9 -47.7 2.7 16.6 -1.7 42 458 A N T > S+ 0 0 113 -22,-0.4 3,-1.8 1,-0.2 -1,-0.2 -0.062 73.7 126.8-117.2 35.4 0.8 19.8 -0.6 43 459 A a T < + 0 0 2 -3,-1.2 6,-0.2 1,-0.3 -1,-0.2 0.458 50.4 93.4 -81.0 -2.0 3.4 21.8 1.3 44 460 A T T 3 S+ 0 0 116 -3,-0.2 2,-0.4 -4,-0.1 -1,-0.3 0.747 79.1 71.9 -47.2 -33.8 2.8 24.7 -1.0 45 461 A S S <> S- 0 0 49 -3,-1.8 4,-1.9 1,-0.1 5,-0.1 -0.813 82.9-144.5 -88.5 140.3 0.4 25.5 1.9 46 462 A D H > S+ 0 0 107 -2,-0.4 4,-2.7 2,-0.2 5,-0.2 0.781 94.9 59.3 -82.4 -30.2 2.1 26.7 5.0 47 463 A S H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 112.6 42.1 -60.0 -46.4 -0.2 25.1 7.6 48 464 A V H > S+ 0 0 43 -6,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.912 113.6 53.7 -62.9 -41.9 0.6 21.7 6.0 49 465 A R H X S+ 0 0 56 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.900 107.3 49.8 -64.3 -40.5 4.3 22.7 5.8 50 466 A E H X S+ 0 0 121 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.894 111.5 47.8 -67.5 -43.0 4.5 23.6 9.4 51 467 A K H X S+ 0 0 147 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.914 113.6 49.1 -60.2 -46.9 3.0 20.3 10.6 52 468 A F H >X S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.2 4,-0.5 0.961 113.8 44.0 -56.4 -55.0 5.3 18.4 8.2 53 469 A L H >X S+ 0 0 33 -4,-2.8 4,-1.3 1,-0.3 3,-1.2 0.828 102.3 67.4 -68.9 -26.0 8.4 20.1 9.4 54 470 A Q H 3X S+ 0 0 96 -4,-2.1 4,-1.8 1,-0.3 -1,-0.3 0.826 91.4 64.2 -59.1 -29.8 7.4 19.8 13.1 55 471 A E H < S+ 0 0 43 -4,-1.8 3,-0.9 1,-0.2 4,-0.3 0.942 109.6 43.8 -63.0 -43.0 10.3 15.9 17.1 59 475 A M H >< S+ 0 0 2 -4,-1.4 3,-1.6 1,-0.2 11,-0.3 0.831 103.8 66.6 -74.4 -24.7 13.0 13.5 15.9 60 476 A R H 3< S+ 0 0 101 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.725 90.3 65.1 -64.9 -27.7 15.7 16.0 16.5 61 477 A Q T << S+ 0 0 93 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.3 0.681 95.8 71.3 -66.2 -22.0 15.1 15.7 20.3 62 478 A F < + 0 0 19 -3,-1.6 2,-0.3 -4,-0.3 8,-0.3 -0.762 49.0 177.9-111.9 146.2 16.2 12.1 20.4 63 479 A D + 0 0 118 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.796 29.3 132.1-145.5 96.2 19.6 10.4 20.0 64 480 A H > - 0 0 23 3,-0.4 3,-1.8 -2,-0.3 53,-0.0 -0.997 58.8-124.5-149.7 143.6 19.6 6.6 20.4 65 481 A P T 3 S+ 0 0 85 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.640 112.0 47.5 -65.5 -11.7 21.1 3.8 18.4 66 482 A H T 3 S+ 0 0 26 47,-0.1 80,-3.2 79,-0.1 2,-0.4 0.074 99.3 74.2-121.7 24.8 17.7 2.1 18.0 67 483 A I B < S-f 146 0B 2 -3,-1.8 -3,-0.4 78,-0.3 80,-0.2 -0.999 92.4-104.6-129.6 133.0 15.7 5.2 17.0 68 484 A V - 0 0 8 78,-2.2 2,-0.3 -2,-0.4 -6,-0.1 -0.249 38.3-128.7 -56.5 139.7 16.1 6.5 13.4 69 485 A K - 0 0 60 -4,-0.1 15,-2.8 -6,-0.1 2,-0.5 -0.655 7.8-124.4 -95.6 139.6 18.1 9.7 13.3 70 486 A L E - E 0 83A 16 -2,-0.3 13,-0.2 -11,-0.3 3,-0.1 -0.778 24.2-178.2 -73.2 125.8 17.2 13.0 11.6 71 487 A I E - 0 0 49 11,-2.5 2,-0.3 -2,-0.5 12,-0.2 0.882 54.0 -71.0 -90.7 -52.9 19.9 13.9 9.1 72 488 A G E - E 0 82A 0 10,-1.9 10,-3.6 -68,-0.0 -1,-0.4 -0.978 41.8 -99.5-177.2-165.6 18.4 17.2 8.0 73 489 A V E -aE 3 81A 20 -71,-2.8 -69,-2.9 -2,-0.3 2,-0.4 -0.902 5.1-148.6-132.5 159.8 15.7 19.1 6.1 74 490 A I E - E 0 80A 3 6,-2.7 6,-1.7 -2,-0.3 -69,-0.1 -0.954 19.2-173.9-128.9 110.6 15.0 20.9 2.9 75 491 A T + 0 0 46 -2,-0.4 2,-0.3 4,-0.2 4,-0.2 0.381 55.3 76.0-103.1 2.8 12.6 23.7 3.6 76 492 A E S S- 0 0 112 2,-0.2 4,-0.2 1,-0.1 -2,-0.0 -0.828 96.4 -37.9-105.3 160.2 11.8 25.2 0.2 77 493 A N S S+ 0 0 87 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.192 131.0 37.2 -70.3 144.5 9.5 23.4 -2.2 78 494 A P S S- 0 0 74 0, 0.0 2,-0.4 0, 0.0 -2,-0.2 0.571 95.4-150.7 -67.4 134.9 9.3 20.6 -2.6 79 495 A V - 0 0 0 -39,-0.3 -39,-0.5 -4,-0.2 2,-0.3 -0.591 19.5-179.3 -79.9 125.9 9.9 20.3 1.1 80 496 A W E - E 0 74A 28 -6,-1.7 -6,-2.7 -2,-0.4 2,-0.4 -0.908 23.2-146.6-122.2 150.3 11.7 17.1 2.2 81 497 A I E -DE 38 73A 0 -43,-2.3 -43,-2.0 -2,-0.3 2,-0.6 -0.980 18.6-145.9-110.9 131.1 12.8 15.7 5.5 82 498 A I E +DE 37 72A 0 -10,-3.6 -11,-2.5 -2,-0.4 -10,-1.9 -0.870 24.8 174.2-101.6 121.1 16.0 13.7 5.3 83 499 A M E -DE 36 70A 5 -47,-3.1 -47,-2.7 -2,-0.6 -13,-0.2 -0.756 39.2 -87.0-119.7 159.8 16.2 10.7 7.7 84 500 A E E -D 35 0A 40 -15,-2.8 2,-0.5 -2,-0.3 -49,-0.2 -0.428 46.9-124.9 -60.2 137.5 18.6 7.8 8.4 85 501 A L - 0 0 25 -51,-1.2 2,-0.9 -2,-0.1 -51,-0.1 -0.815 7.7-150.6 -90.5 128.5 17.8 4.8 6.1 86 502 A C > - 0 0 9 -2,-0.5 3,-2.0 1,-0.2 52,-0.3 -0.872 20.1-154.5 -91.2 97.8 17.2 1.4 7.7 87 503 A T T 3 S+ 0 0 92 -2,-0.9 52,-0.2 52,-0.3 -1,-0.2 0.773 83.3 51.7 -48.1 -40.9 18.5 -0.5 4.7 88 504 A L T 3 S- 0 0 75 50,-1.9 -1,-0.3 1,-0.2 51,-0.2 0.463 98.0-147.1 -89.1 -4.2 16.6 -3.8 5.2 89 505 A G E < +G 138 0B 28 -3,-2.0 49,-2.9 49,-0.6 -1,-0.2 -0.423 48.8 16.0 88.8-147.2 13.2 -2.1 5.5 90 506 A E E > -G 137 0B 112 47,-0.2 4,-2.2 -2,-0.1 47,-0.2 -0.425 57.2-140.4 -76.5 141.1 10.1 -3.0 7.5 91 507 A L H > S+ 0 0 1 45,-2.2 4,-3.0 42,-0.4 5,-0.2 0.892 97.8 55.6 -65.6 -46.5 10.3 -5.5 10.3 92 508 A R H > S+ 0 0 59 41,-0.5 4,-2.1 44,-0.3 -1,-0.2 0.933 113.4 41.2 -57.2 -47.2 7.0 -7.4 9.7 93 509 A S H > S+ 0 0 54 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.926 114.0 53.4 -64.2 -47.4 8.0 -8.2 6.1 94 510 A F H X S+ 0 0 21 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.899 112.4 45.1 -50.2 -44.1 11.6 -9.0 7.2 95 511 A L H < S+ 0 0 1 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.831 113.1 49.1 -75.7 -35.7 10.2 -11.4 9.8 96 512 A Q H >< S+ 0 0 89 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.941 113.1 46.1 -67.9 -48.6 7.7 -13.0 7.4 97 513 A V H 3< S+ 0 0 121 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.827 120.8 39.8 -63.5 -32.6 10.2 -13.6 4.7 98 514 A R T >X S+ 0 0 71 -4,-1.6 3,-1.6 -5,-0.3 4,-1.3 0.074 77.7 125.6-105.9 27.4 12.8 -14.9 7.2 99 515 A K T <4 S+ 0 0 81 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.802 83.3 30.6 -54.4 -36.9 10.2 -16.9 9.2 100 516 A Y T 34 S+ 0 0 205 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.215 121.7 49.3-111.7 12.2 12.1 -20.2 8.9 101 517 A S T <4 S+ 0 0 73 -3,-1.6 2,-0.6 2,-0.1 -2,-0.2 0.358 86.3 90.4-131.1 -1.1 15.7 -18.8 8.7 102 518 A L S < S- 0 0 18 -4,-1.3 -1,-0.0 -7,-0.1 5,-0.0 -0.889 72.9-130.6-104.4 123.9 15.9 -16.4 11.6 103 519 A D > - 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