==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 29-NOV-10 3PRF . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.C.VOEGTLI,G.P.A.VIGERS,T.MORALES,B.J.BRANDHUBER . 524 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 69.1 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 . 78 14.9 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 . 2 0.4 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 . 1 0.2 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 . 43 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 1 2 0 0 0 4 0 0 1 3 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 . 2 1 1 4 1 5 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 . 1 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 68 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.4 58.4 5.5 -9.6 2 449 A D - 0 0 109 1,-0.2 322,-0.0 69,-0.0 0, 0.0 0.057 360.0-146.7 -34.2 128.1 60.5 2.5 -10.6 3 450 A W + 0 0 10 2,-0.1 69,-2.4 68,-0.0 -1,-0.2 0.013 47.8 135.3 -97.0 26.9 64.0 3.8 -11.3 4 451 A E B -a 72 0A 87 67,-0.2 69,-0.2 69,-0.0 0, 0.0 -0.447 44.1-144.7 -78.3 151.5 65.0 1.4 -14.1 5 452 A I - 0 0 5 67,-1.3 69,-0.3 -2,-0.1 70,-0.1 -0.976 16.5-123.4-124.4 119.8 66.8 2.8 -17.2 6 453 A P > - 0 0 73 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.268 41.9 -88.2 -62.7 144.2 66.1 1.3 -20.6 7 454 A D T 3 S+ 0 0 100 1,-0.2 2,-0.2 2,-0.1 68,-0.0 -0.013 109.2 22.0 -49.0 152.8 69.1 -0.0 -22.6 8 455 A G T 3 S+ 0 0 62 2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.156 93.9 97.9 77.1 -22.2 71.0 2.4 -24.8 9 456 A Q S < S+ 0 0 93 -3,-1.5 2,-0.4 -2,-0.2 -1,-0.1 0.873 75.1 67.7 -60.4 -37.9 69.8 5.6 -22.9 10 457 A I S S- 0 0 21 -4,-0.4 2,-0.4 19,-0.1 -2,-0.2 -0.742 70.6-156.3 -98.0 125.8 73.0 5.7 -20.9 11 458 A T E -B 28 0A 90 17,-2.1 17,-1.9 -2,-0.4 2,-0.5 -0.818 10.0-142.5-102.3 139.6 76.3 6.5 -22.6 12 459 A V E +B 27 0A 61 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.881 26.6 163.0-110.0 129.8 79.6 5.4 -21.0 13 460 A G E + 0 0 47 13,-2.8 14,-0.1 -2,-0.5 -1,-0.1 0.256 46.3 10.8-111.7-131.5 82.8 7.6 -21.1 14 461 A Q E - 0 0 142 11,-0.1 12,-2.4 1,-0.1 2,-0.4 -0.234 64.3-128.0 -54.3 132.3 86.1 7.7 -19.2 15 462 A R E +B 25 0A 123 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.707 34.7 172.2 -73.9 133.7 86.9 4.8 -17.0 16 463 A I E - 0 0 93 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.617 43.8 -69.7-122.7 -18.2 87.8 6.4 -13.7 17 464 A G E -B 24 0A 19 7,-1.5 7,-2.6 2,-0.0 -1,-0.3 -0.992 49.0 -63.9 166.6-156.4 88.2 3.6 -11.1 18 465 A S E +B 23 0A 94 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.845 33.2 174.3-125.7 161.4 86.8 0.9 -9.0 19 466 A G E > -B 22 0A 19 3,-2.3 3,-0.7 -2,-0.3 128,-0.1 -0.968 56.8 -36.6-157.1 163.8 84.4 0.6 -6.1 20 467 A S T 3 S- 0 0 33 -2,-0.3 128,-0.1 1,-0.2 3,-0.0 0.085 128.8 -15.6 -21.5 108.0 82.6 -2.0 -4.0 21 468 A F T 3 S+ 0 0 118 1,-0.1 -1,-0.2 128,-0.1 2,-0.2 0.921 125.9 34.9 46.9 67.0 82.0 -4.7 -6.6 22 469 A G E < S-B 19 0A 19 -3,-0.7 -3,-2.3 16,-0.1 2,-0.4 -0.795 78.6 -78.9 154.9 173.7 82.5 -2.8 -9.9 23 470 A T E -BC 18 37A 22 14,-2.5 14,-2.5 -5,-0.2 2,-0.4 -0.830 36.2-140.9-100.1 140.4 84.1 -0.3 -12.2 24 471 A V E +BC 17 36A 31 -7,-2.6 -8,-2.9 -2,-0.4 -7,-1.5 -0.861 23.3 176.5-104.2 134.4 83.2 3.5 -12.1 25 472 A Y E -BC 15 35A 33 10,-2.7 10,-2.7 -2,-0.4 2,-0.4 -0.924 34.4-115.2-128.1 157.9 82.9 5.6 -15.3 26 473 A K E + C 0 34A 65 -12,-2.4 -13,-2.8 -2,-0.3 2,-0.2 -0.798 51.1 163.7 -82.7 132.6 82.0 9.1 -16.2 27 474 A G E -BC 12 33A 4 6,-3.4 6,-2.4 -2,-0.4 2,-0.4 -0.758 35.4-115.1-137.7-176.0 78.8 8.9 -18.3 28 475 A K E +BC 11 32A 89 -17,-1.9 -17,-2.1 4,-0.3 4,-0.3 -0.998 39.0 143.7-131.0 128.1 75.9 10.9 -19.7 29 476 A W S S- 0 0 17 2,-3.2 -19,-0.1 -2,-0.4 -2,-0.1 -0.638 91.0 -23.2-158.9 103.3 72.2 10.5 -18.9 30 477 A H S S- 0 0 38 -2,-0.2 2,-0.2 3,-0.0 353,-0.1 0.933 144.8 -14.7 53.1 51.5 70.1 13.7 -18.7 31 478 A G S S- 0 0 15 2,-0.0 -2,-3.2 297,-0.0 2,-0.3 -0.660 116.3 -44.8 113.7-176.0 73.4 15.5 -18.1 32 479 A D E +C 28 0A 63 -4,-0.3 52,-0.8 -2,-0.2 -4,-0.3 -0.696 66.1 178.2 -93.1 148.8 76.7 13.8 -17.1 33 480 A V E -CD 27 83A 0 -6,-2.4 -6,-3.4 -2,-0.3 2,-0.4 -0.908 33.7-106.0-141.5 161.6 76.6 11.1 -14.4 34 481 A A E -CD 26 82A 16 48,-2.9 48,-2.3 -2,-0.3 2,-0.5 -0.813 35.5-164.0 -88.2 134.7 78.7 8.7 -12.5 35 482 A V E -CD 25 81A 0 -10,-2.7 -10,-2.7 -2,-0.4 2,-0.8 -0.974 11.5-164.2-125.4 119.2 78.1 5.1 -13.5 36 483 A K E -CD 24 80A 24 44,-2.5 44,-2.0 -2,-0.5 2,-0.4 -0.875 20.8-174.6 -98.9 105.4 79.1 2.0 -11.5 37 484 A M E -CD 23 79A 17 -14,-2.5 -14,-2.5 -2,-0.8 2,-0.9 -0.834 28.6-156.3-104.2 134.7 79.0 -1.0 -13.8 38 485 A L E - D 0 78A 22 40,-2.8 2,-1.0 -2,-0.4 40,-0.7 -0.873 29.2-174.4 -97.7 94.2 79.5 -4.6 -13.0 39 486 A N + 0 0 64 -2,-0.9 38,-0.1 38,-0.2 -2,-0.1 -0.654 33.4 110.0-103.7 80.1 80.5 -5.5 -16.5 40 487 A V S S- 0 0 86 -2,-1.0 -1,-0.0 1,-0.1 -2,-0.0 0.266 70.5-109.3-107.5-118.9 81.0 -9.3 -16.9 41 488 A T S S+ 0 0 139 1,-0.6 -1,-0.1 -2,-0.0 0, 0.0 0.323 99.0 30.5-146.6 -71.6 78.6 -11.5 -19.0 42 489 A A S S- 0 0 75 35,-0.0 -1,-0.6 0, 0.0 2,-0.3 -0.889 88.3-129.4 -91.6 129.0 76.6 -13.7 -16.6 43 490 A P - 0 0 60 0, 0.0 -4,-0.0 0, 0.0 34,-0.0 -0.634 20.9-114.1 -76.2 137.7 76.1 -12.0 -13.2 44 491 A T > - 0 0 62 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.404 17.7-129.6 -58.0 142.1 77.0 -13.9 -10.1 45 492 A P H > S+ 0 0 111 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.798 111.4 52.1 -61.3 -30.0 73.9 -14.7 -7.9 46 493 A Q H > S+ 0 0 166 2,-0.2 4,-1.7 1,-0.2 3,-0.1 0.918 110.2 44.9 -72.5 -46.1 75.9 -13.2 -5.0 47 494 A Q H > S+ 0 0 48 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.850 106.8 61.4 -63.7 -36.3 76.7 -9.9 -6.8 48 495 A L H X S+ 0 0 74 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.894 108.0 44.0 -51.5 -44.5 73.1 -9.9 -7.9 49 496 A Q H X S+ 0 0 122 -4,-1.2 4,-0.6 2,-0.2 -2,-0.2 0.826 113.8 50.7 -69.5 -34.4 72.3 -9.7 -4.2 50 497 A A H X S+ 0 0 22 -4,-1.7 4,-1.7 2,-0.2 3,-0.5 0.920 111.7 46.6 -69.8 -45.3 75.1 -7.1 -3.6 51 498 A F H X S+ 0 0 20 -4,-3.5 4,-2.0 1,-0.2 5,-0.2 0.934 110.1 52.5 -61.1 -49.4 73.8 -4.9 -6.5 52 499 A K H X S+ 0 0 95 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.651 108.3 55.2 -65.5 -14.5 70.2 -5.1 -5.3 53 500 A N H X S+ 0 0 56 -4,-0.6 4,-2.1 -3,-0.5 -1,-0.2 0.892 105.5 46.0 -84.6 -46.0 71.4 -4.0 -1.9 54 501 A E H X S+ 0 0 13 -4,-1.7 4,-3.5 2,-0.2 5,-0.2 0.944 115.7 48.9 -61.2 -46.7 73.2 -0.8 -2.7 55 502 A V H X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.917 110.3 51.3 -56.6 -46.1 70.2 0.2 -4.9 56 503 A G H < S+ 0 0 33 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.879 115.6 41.8 -58.3 -40.2 67.8 -0.7 -2.1 57 504 A V H >< S+ 0 0 5 -4,-2.1 3,-1.2 91,-0.2 4,-0.2 0.902 114.1 50.7 -74.9 -45.6 69.8 1.5 0.3 58 505 A L H >< S+ 0 0 1 -4,-3.5 3,-2.8 1,-0.3 11,-0.3 0.927 104.5 56.0 -62.4 -46.4 70.4 4.4 -2.1 59 506 A R T 3< S+ 0 0 58 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.544 102.6 60.6 -67.6 -0.8 66.7 4.7 -3.1 60 507 A K T < S+ 0 0 48 -3,-1.2 2,-0.5 -5,-0.2 -1,-0.3 0.525 95.4 81.5 -91.0 -10.2 66.2 5.1 0.7 61 508 A T < + 0 0 3 -3,-2.8 8,-0.4 -4,-0.2 2,-0.3 -0.857 38.2 156.9-112.2 131.3 68.4 8.3 0.7 62 509 A R + 0 0 2 -2,-0.5 2,-0.3 272,-0.1 3,-0.1 -0.845 33.5 117.7-144.4 101.1 67.6 11.9 -0.2 63 510 A H > - 0 0 4 3,-0.4 3,-2.8 -2,-0.3 270,-0.1 -0.899 67.2-117.2-167.7 137.5 69.9 14.4 1.4 64 511 A V T 3 S+ 0 0 32 1,-0.3 4,-0.2 -2,-0.3 -1,-0.1 0.859 115.3 51.1 -40.7 -49.6 72.4 17.0 0.2 65 512 A N T 3 S+ 0 0 4 79,-0.1 80,-2.6 -3,-0.1 2,-0.5 0.314 97.3 81.1 -81.2 8.7 75.3 15.2 1.9 66 513 A I B < S-f 145 0B 3 -3,-2.8 -3,-0.4 78,-0.3 80,-0.2 -0.973 95.6-104.3-116.4 124.4 74.4 11.8 0.3 67 514 A L - 0 0 19 78,-2.2 2,-0.6 -2,-0.5 -6,-0.1 -0.182 46.7-111.6 -43.6 118.9 75.6 11.1 -3.2 68 515 A L - 0 0 21 -4,-0.2 15,-1.9 -6,-0.1 2,-0.2 -0.474 25.4-145.2 -68.1 108.9 72.3 11.5 -5.2 69 516 A F E + E 0 82A 0 -2,-0.6 13,-0.2 -8,-0.4 3,-0.1 -0.561 23.1 174.5 -66.9 137.7 71.2 8.1 -6.5 70 517 A M E - 0 0 2 11,-3.1 2,-0.3 1,-0.4 12,-0.2 0.696 49.3 -45.1-119.3 -36.9 69.6 8.7 -9.9 71 518 A G E - E 0 81A 0 10,-1.9 10,-3.1 2,-0.0 -1,-0.4 -0.970 42.9-132.0 176.7 172.0 68.7 5.3 -11.4 72 519 A Y E -aE 4 80A 18 -69,-2.4 -67,-1.3 -2,-0.3 2,-0.3 -0.929 10.3-162.3-137.3 162.3 69.8 1.8 -12.1 73 520 A S E - E 0 79A 4 6,-2.2 6,-2.6 -2,-0.3 -69,-0.0 -0.985 12.5-174.1-144.1 157.4 69.9 -0.6 -15.1 74 521 A T + 0 0 44 1,-0.4 -1,-0.1 -2,-0.3 6,-0.0 0.769 59.6 88.2-113.8 -58.7 70.2 -4.4 -15.4 75 522 A K S S+ 0 0 130 -70,-0.1 -1,-0.4 1,-0.1 2,-0.2 -0.720 98.0 13.1 -77.1 136.2 70.4 -4.9 -19.2 76 523 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.751 142.2 -19.6 -76.2 -51.2 73.0 -4.8 -20.6 77 524 A Q S S- 0 0 63 -2,-0.2 2,-0.2 -38,-0.1 -38,-0.2 -0.861 81.2 -90.1-115.0 153.2 75.2 -4.9 -17.5 78 525 A L E +D 38 0A 16 -40,-0.7 -40,-2.8 -2,-0.3 2,-0.3 -0.428 57.2 171.4 -64.1 131.3 74.2 -4.1 -14.0 79 526 A A E -DE 37 73A 0 -6,-2.6 -6,-2.2 -42,-0.2 2,-0.4 -0.993 30.0-151.5-152.1 132.9 74.8 -0.4 -13.3 80 527 A I E -DE 36 72A 6 -44,-2.0 -44,-2.5 -2,-0.3 2,-0.5 -0.874 18.3-154.9-102.1 140.6 74.0 2.2 -10.7 81 528 A V E +DE 35 71A 1 -10,-3.1 -11,-3.1 -2,-0.4 -10,-1.9 -0.976 20.9 161.8-122.0 124.0 73.7 5.8 -11.8 82 529 A T E -DE 34 69A 11 -48,-2.3 -48,-2.9 -2,-0.5 -13,-0.2 -0.871 45.4 -74.1-132.1 166.7 74.4 8.8 -9.6 83 530 A Q E -D 33 0A 4 -15,-1.9 2,-0.4 -2,-0.3 -50,-0.2 -0.161 50.8-110.1 -53.9 150.4 75.1 12.5 -10.0 84 531 A W - 0 0 44 -52,-0.8 2,-0.7 -51,-0.1 -1,-0.1 -0.765 24.7-153.7 -88.5 131.1 78.6 13.5 -11.2 85 532 A C - 0 0 20 -2,-0.4 2,-0.2 2,-0.1 52,-0.1 -0.916 9.1-149.6-107.5 109.6 80.8 15.2 -8.7 86 533 A E S S+ 0 0 98 -2,-0.7 53,-1.6 50,-0.1 54,-0.6 -0.522 70.7 30.0 -78.8 148.0 83.3 17.4 -10.3 87 534 A G E S-G 138 0B 36 -2,-0.2 2,-0.3 51,-0.2 51,-0.1 -0.846 98.4 -73.6 97.5-141.1 86.5 17.7 -8.4 88 535 A S E -G 137 0B 35 49,-0.7 49,-3.1 -2,-0.4 2,-0.1 -0.865 38.3 -74.9-150.7 173.1 87.6 14.8 -6.2 89 536 A S E > -G 136 0B 16 47,-0.3 4,-2.4 -2,-0.3 47,-0.3 -0.463 45.7-115.7 -70.1 149.5 87.4 12.5 -3.2 90 537 A L H > S+ 0 0 2 45,-3.3 4,-2.7 42,-0.6 5,-0.3 0.869 118.6 55.8 -51.3 -43.1 88.7 13.8 0.1 91 538 A Y H >>S+ 0 0 64 41,-2.1 4,-3.0 44,-0.2 5,-0.7 0.936 107.6 48.9 -52.0 -51.3 91.3 11.0 -0.0 92 539 A H H >>S+ 0 0 66 40,-0.3 4,-1.8 2,-0.2 5,-1.4 0.956 112.8 46.3 -58.2 -52.7 92.5 12.3 -3.4 93 540 A H H <>S+ 0 0 7 -4,-2.4 6,-2.3 3,-0.2 5,-0.6 0.946 121.1 37.7 -52.8 -54.1 92.7 16.0 -2.2 94 541 A L H <5S+ 0 0 14 -4,-2.7 -2,-0.2 4,-0.2 -1,-0.2 0.926 129.6 22.1 -70.6 -50.0 94.5 15.1 1.0 95 542 A H H <5S+ 0 0 38 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.2 0.645 129.4 30.8-104.8 -15.4 96.9 12.3 0.1 96 543 A I T <> - 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