==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-JUN-11 3SKC . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.C.VOEGTLI,H.L.STURGIS . 536 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 12.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 38 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 2 1 2 0 0 2 2 2 0 2 0 0 0 2 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 . 0 0 4 4 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 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 1 448 A D 0 0 106 0, 0.0 318,-0.0 0, 0.0 317,-0.0 0.000 360.0 360.0 360.0-107.5 15.9 -48.9 -0.2 2 449 A D - 0 0 83 1,-0.1 320,-0.0 69,-0.0 0, 0.0 0.313 360.0-134.2 -34.3 145.4 12.5 -47.0 0.1 3 450 A W + 0 0 13 2,-0.1 69,-1.4 52,-0.0 2,-0.4 0.176 53.0 134.7-102.4 15.8 12.9 -43.5 1.1 4 451 A E B -a 72 0A 59 67,-0.2 69,-0.2 1,-0.1 67,-0.0 -0.514 46.6-145.0 -67.7 121.3 10.3 -42.9 3.8 5 452 A I - 0 0 4 67,-2.8 69,-0.4 -2,-0.4 70,-0.4 -0.823 17.9-126.7 -92.4 117.8 11.9 -41.0 6.7 6 453 A P > - 0 0 61 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.198 38.4 -80.3 -62.2 150.8 10.5 -42.2 10.0 7 454 A D T 3 S+ 0 0 80 1,-0.2 2,-0.1 2,-0.1 66,-0.0 0.068 108.9 17.4 -46.4 154.0 9.1 -39.6 12.5 8 455 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.311 95.3 97.0 71.1 -11.9 11.4 -37.6 14.7 9 456 A Q S < S+ 0 0 94 -3,-1.4 -1,-0.2 -2,-0.1 -2,-0.1 0.904 76.1 64.0 -72.6 -44.5 14.6 -38.2 12.7 10 457 A I S S- 0 0 26 -4,-0.5 2,-0.4 19,-0.1 19,-0.2 -0.416 72.6-153.3 -76.7 157.5 14.3 -35.0 10.8 11 458 A T E -B 28 0A 90 17,-1.0 17,-1.1 -2,-0.1 2,-0.1 -0.824 8.5-151.0-137.1 95.2 14.6 -31.7 12.7 12 459 A V E +B 27 0A 57 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.377 28.7 154.6 -67.9 142.1 12.8 -28.8 11.0 13 460 A G E + 0 0 40 13,-1.0 14,-0.1 1,-0.4 -1,-0.1 -0.132 39.4 23.2-133.9-129.4 14.2 -25.3 11.7 14 461 A Q E S- 0 0 138 12,-0.1 12,-2.5 11,-0.1 -1,-0.4 -0.109 72.4-125.6 -52.1 139.9 14.5 -21.9 10.2 15 462 A R E +B 25 0A 120 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.662 45.3 143.8 -95.2 141.5 11.6 -21.1 7.8 16 463 A I + 0 0 76 8,-2.7 2,-0.3 -2,-0.3 9,-0.2 0.550 46.1 80.3-135.6 -45.2 12.1 -19.9 4.2 17 464 A G + 0 0 17 7,-3.0 7,-0.3 1,-0.1 -1,-0.2 -0.548 51.0 173.4 -84.3 130.4 9.6 -21.2 1.7 18 465 A S + 0 0 74 -2,-0.3 -1,-0.1 5,-0.2 2,-0.0 -0.348 32.3 49.0-109.9-167.5 6.2 -19.6 1.5 19 466 A G S S- 0 0 61 -2,-0.1 3,-0.3 2,-0.1 2,-0.1 -0.242 86.5 -31.8 88.5-160.0 3.2 -20.0 -0.8 20 467 A S S S+ 0 0 89 1,-0.2 19,-0.0 -2,-0.0 0, 0.0 -0.142 111.3 48.1 -90.2-166.6 1.1 -22.9 -2.1 21 468 A F S S- 0 0 118 17,-0.1 -1,-0.2 -2,-0.1 2,-0.2 0.488 125.2 -59.1 40.8 7.3 2.3 -26.5 -2.9 22 469 A G - 0 0 1 -3,-0.3 2,-0.4 16,-0.1 16,-0.3 -0.542 55.4 -79.1 126.0 173.0 3.9 -26.2 0.6 23 470 A T E - C 0 37A 15 14,-2.4 14,-3.3 -2,-0.2 2,-0.5 -0.930 35.6-139.4-117.3 140.8 6.3 -24.4 3.0 24 471 A V E - C 0 36A 36 -2,-0.4 -7,-3.0 -7,-0.3 -8,-2.7 -0.882 19.7-179.2-111.5 123.2 10.1 -24.9 2.9 25 472 A Y E -BC 15 35A 61 10,-3.6 10,-3.3 -2,-0.5 2,-0.5 -0.902 30.6-122.6-116.4 144.4 12.3 -25.1 6.1 26 473 A K E + C 0 34A 60 -12,-2.5 -13,-1.0 -2,-0.4 8,-0.2 -0.751 51.2 161.6 -78.5 124.5 16.1 -25.5 6.6 27 474 A G E -BC 12 33A 3 6,-2.8 6,-2.3 -2,-0.5 2,-0.4 -0.596 36.4-110.6-132.9-171.1 16.4 -28.7 8.6 28 475 A K E +BC 11 32A 111 -17,-1.1 -17,-1.0 4,-0.2 4,-0.2 -0.979 40.3 141.5-136.4 124.6 18.8 -31.4 9.8 29 476 A W S S- 0 0 23 2,-2.6 -19,-0.1 -2,-0.4 -2,-0.1 -0.698 94.3 -21.3-155.4 101.9 18.8 -35.0 8.8 30 477 A H S S- 0 0 40 -2,-0.2 2,-0.2 3,-0.0 351,-0.1 0.888 139.8 -23.5 58.2 41.5 22.3 -36.5 8.3 31 478 A G S S- 0 0 19 2,-0.0 -2,-2.6 52,-0.0 -4,-0.0 -0.492 113.9 -26.9 116.5 170.8 23.4 -32.9 7.8 32 479 A D E S+C 28 0A 70 -4,-0.2 52,-0.7 -2,-0.2 2,-0.3 -0.360 70.8 170.0 -53.5 132.4 21.8 -29.7 6.7 33 480 A V E -CD 27 83A 0 -6,-2.3 -6,-2.8 50,-0.2 2,-0.4 -0.903 33.9-120.3-135.6 166.4 18.8 -30.5 4.5 34 481 A A E -CD 26 82A 13 48,-3.2 48,-2.4 -2,-0.3 2,-0.5 -0.927 25.8-162.5-103.4 139.3 15.9 -28.6 3.0 35 482 A V E -CD 25 81A 1 -10,-3.3 -10,-3.6 -2,-0.4 2,-0.6 -0.987 5.5-165.8-122.7 125.1 12.4 -29.8 4.0 36 483 A K E -CD 24 80A 40 44,-2.6 44,-2.5 -2,-0.5 2,-0.7 -0.941 7.8-160.1-108.2 115.7 9.3 -28.9 2.1 37 484 A M E -CD 23 79A 13 -14,-3.3 -14,-2.4 -2,-0.6 42,-0.2 -0.866 10.8-153.7 -99.5 114.3 6.1 -29.5 4.0 38 485 A L - 0 0 31 40,-0.9 -16,-0.1 -2,-0.7 -1,-0.1 0.608 20.9-153.0 -57.9 -13.0 3.1 -29.7 1.7 39 486 A N + 0 0 75 39,-0.5 -17,-0.1 1,-0.2 -1,-0.1 0.873 36.8 154.1 27.7 65.3 0.9 -28.6 4.7 40 487 A V - 0 0 56 38,-0.1 -1,-0.2 -19,-0.1 -2,-0.1 -0.141 62.6-112.1-104.7 35.4 -2.2 -30.4 3.3 41 488 A T S S- 0 0 138 1,-0.1 36,-0.1 37,-0.1 -2,-0.0 0.804 74.7 -47.3 36.9 51.4 -3.7 -30.7 6.9 42 489 A A S S- 0 0 78 36,-0.1 -1,-0.1 34,-0.0 35,-0.1 0.937 83.8 -96.0 63.0 99.7 -3.3 -34.5 6.9 43 490 A P - 0 0 28 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.315 7.9-137.0 -58.8 159.4 -4.6 -36.5 3.9 44 491 A T > - 0 0 72 1,-0.1 3,-2.6 -4,-0.0 4,-0.1 -0.856 50.0 -89.0 90.5 40.7 -7.0 -38.0 2.9 45 492 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.313 111.3 32.2 -56.5 149.9 -6.1 -41.2 1.2 46 493 A Q T 3 S+ 0 0 158 -3,-0.0 4,-0.4 0, 0.0 0, 0.0 -0.497 106.8 70.9-101.4 66.4 -5.5 -41.6 -1.4 47 494 A Q S X> S+ 0 0 89 -3,-2.6 4,-2.9 2,-0.2 3,-0.7 0.754 98.1 61.5 -70.6 -44.8 -4.1 -38.2 -1.7 48 495 A L H 3> S+ 0 0 47 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.738 106.0 46.0 -49.1 -24.6 -1.5 -40.0 0.4 49 496 A Q H 3> S+ 0 0 94 2,-0.2 4,-0.9 3,-0.1 -1,-0.3 0.723 107.3 54.2 -93.3 -27.3 -1.2 -42.2 -2.7 50 497 A A H <> S+ 0 0 54 -3,-0.7 4,-0.7 -4,-0.4 -2,-0.2 0.846 109.3 50.9 -71.4 -34.2 -1.0 -39.3 -5.1 51 498 A F H >X S+ 0 0 18 -4,-2.9 4,-2.0 1,-0.2 3,-1.4 0.946 106.2 52.8 -64.4 -51.1 1.9 -37.9 -3.1 52 499 A K H 3X S+ 0 0 63 -4,-1.1 4,-0.9 1,-0.3 -1,-0.2 0.787 104.5 59.2 -56.2 -28.0 3.8 -41.2 -3.1 53 500 A N H 3X S+ 0 0 97 -4,-0.9 4,-0.6 2,-0.2 -1,-0.3 0.768 104.2 48.9 -76.2 -24.8 3.4 -41.1 -6.9 54 501 A E H XX S+ 0 0 111 -3,-1.4 4,-2.0 -4,-0.7 3,-0.8 0.879 106.8 54.4 -77.9 -41.7 5.2 -37.8 -7.1 55 502 A V H 3X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.776 100.7 63.5 -59.2 -25.9 8.0 -39.0 -5.0 56 503 A G H 3< S+ 0 0 21 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.864 103.5 47.0 -66.8 -34.0 8.2 -41.8 -7.5 57 504 A V H X< S+ 0 0 43 -3,-0.8 3,-1.7 -4,-0.6 -2,-0.2 0.941 109.4 52.1 -71.2 -47.7 9.1 -39.2 -10.1 58 505 A L H >< S+ 0 0 35 -4,-2.0 3,-2.3 1,-0.3 11,-0.2 0.900 102.9 59.2 -52.9 -45.3 11.8 -37.5 -7.9 59 506 A R T 3< S+ 0 0 59 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.526 91.6 69.3 -70.4 -3.2 13.5 -40.8 -7.3 60 507 A K T < S+ 0 0 53 -3,-1.7 2,-0.5 -4,-0.2 -1,-0.3 0.496 86.7 89.7 -84.9 -3.9 14.0 -41.3 -11.0 61 508 A T < + 0 0 6 -3,-2.3 8,-0.3 -4,-0.2 2,-0.2 -0.822 37.1 151.2-103.6 128.1 16.5 -38.4 -10.9 62 509 A R + 0 0 4 -2,-0.5 2,-0.3 270,-0.1 5,-0.1 -0.653 31.3 119.0-152.0 89.0 20.2 -38.8 -10.2 63 510 A H > - 0 0 7 3,-0.5 3,-2.8 -2,-0.2 230,-0.0 -0.955 65.8-123.1-160.7 132.2 22.3 -36.1 -11.8 64 511 A V T 3 S+ 0 0 36 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.767 113.7 51.2 -51.1 -28.9 24.5 -33.4 -10.5 65 512 A N T 3 S+ 0 0 4 79,-0.1 80,-2.7 2,-0.1 2,-0.5 0.532 96.9 77.1 -91.0 -6.2 22.4 -30.7 -12.1 66 513 A I B < S-f 145 0B 7 -3,-2.8 -3,-0.5 78,-0.2 80,-0.2 -0.935 98.7-100.6-103.0 125.0 19.1 -32.0 -10.7 67 514 A L - 0 0 31 78,-2.6 2,-0.6 -2,-0.5 -2,-0.1 -0.053 46.5-104.8 -41.0 133.7 18.4 -31.0 -7.1 68 515 A L - 0 0 22 -4,-0.1 15,-1.8 -6,-0.1 2,-0.5 -0.521 26.4-150.3 -77.3 114.0 19.2 -34.1 -4.9 69 516 A F E + E 0 82A 4 -2,-0.6 13,-0.2 -8,-0.3 3,-0.1 -0.726 19.8 174.3 -76.8 124.6 16.2 -35.9 -3.6 70 517 A M E - 0 0 3 11,-2.4 2,-0.2 -2,-0.5 12,-0.2 0.620 53.5 -64.1-105.6 -19.5 17.2 -37.4 -0.3 71 518 A G E - E 0 81A 0 10,-1.4 10,-3.5 -66,-0.0 -1,-0.4 -0.817 43.3-104.9 153.1 171.6 13.8 -38.8 0.9 72 519 A Y E -aE 4 80A 2 -69,-1.4 -67,-2.8 8,-0.2 2,-0.3 -0.919 17.3-144.8-128.1 153.2 10.2 -38.0 1.9 73 520 A S E + E 0 79A 4 6,-2.8 6,-2.6 -2,-0.3 -69,-0.1 -0.876 22.4 166.2-113.5 145.6 8.2 -37.9 5.1 74 521 A T + 0 0 34 -69,-0.4 -1,-0.1 -2,-0.3 6,-0.0 0.515 63.8 81.8-119.4 -23.9 4.6 -38.9 5.8 75 522 A K S S+ 0 0 105 -70,-0.4 3,-0.1 1,-0.1 -2,-0.0 0.944 105.3 14.6 -54.8 -86.2 4.6 -39.1 9.6 76 523 A P S S- 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.979 142.0 -25.0 -58.2 -62.9 4.3 -35.6 11.0 77 524 A Q S S- 0 0 80 -36,-0.1 2,-0.3 -35,-0.1 -4,-0.0 -0.846 83.2 -80.6-126.2 172.4 3.1 -34.0 7.7 78 525 A L + 0 0 10 -2,-0.3 -40,-0.9 -3,-0.1 -39,-0.5 -0.614 67.5 166.1 -62.3 134.7 3.6 -35.0 4.1 79 526 A A E -DE 37 73A 2 -6,-2.6 -6,-2.8 -2,-0.3 2,-0.5 -0.992 35.5-145.7-158.5 149.8 7.1 -33.7 3.3 80 527 A I E -DE 36 72A 27 -44,-2.5 -44,-2.6 -2,-0.3 2,-0.5 -0.977 17.2-157.0-120.6 127.4 10.0 -33.8 0.8 81 528 A V E +DE 35 71A 0 -10,-3.5 -11,-2.4 -2,-0.5 -10,-1.4 -0.884 16.8 170.0-110.4 128.7 13.6 -33.6 1.9 82 529 A T E -DE 34 69A 23 -48,-2.4 -48,-3.2 -2,-0.5 -13,-0.2 -0.840 44.1 -75.9-126.3 164.2 16.4 -32.5 -0.4 83 530 A Q E -D 33 0A 10 -15,-1.8 2,-0.7 -2,-0.3 -50,-0.2 -0.199 52.8-114.3 -44.6 151.0 20.1 -31.6 -0.1 84 531 A W - 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