==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-JAN-12 4D9T . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 KINASE ALPHA-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.M.SERAFIMOVA,M.A.PUFALL,S.KRISHNAN,K.DUDA,M.S.COHEN,R.L.MA . 299 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 1 0 0 0 3 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 0 1 1 1 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 . 1 0 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 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 S 0 0 150 0, 0.0 68,-0.1 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0 67.5 -41.1 3.4 -1.7 2 416 A I - 0 0 141 1,-0.1 2,-0.3 0, 0.0 67,-0.0 0.721 360.0 -35.7-125.3 -65.5 -43.8 2.2 -4.1 3 417 A Q - 0 0 72 1,-0.1 4,-0.2 2,-0.1 -1,-0.1 -0.941 15.9-175.3-172.6 147.4 -43.4 2.4 -7.9 4 418 A F S >> S+ 0 0 3 -2,-0.3 4,-2.3 2,-0.1 3,-1.1 0.755 97.6 59.9-103.3 -52.0 -42.3 4.1 -11.2 5 419 A T T 34 S+ 0 0 86 1,-0.3 5,-0.1 2,-0.2 -2,-0.1 0.759 106.6 54.7 -41.9 -29.2 -43.9 1.7 -13.6 6 420 A D T 34 S+ 0 0 99 1,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.848 111.1 39.3 -77.7 -37.7 -47.1 2.8 -11.8 7 421 A G T <4 S+ 0 0 17 -3,-1.1 21,-1.8 -4,-0.2 22,-0.4 0.761 116.4 46.9 -85.8 -24.8 -46.7 6.5 -12.4 8 422 A Y E < -A 27 0A 16 -4,-2.3 2,-0.5 19,-0.2 19,-0.2 -0.913 61.8-141.4-132.5 143.3 -45.3 6.5 -15.9 9 423 A E E -A 26 0A 90 17,-2.3 17,-2.9 -2,-0.3 2,-0.5 -0.898 34.6-135.3 -92.7 124.8 -45.9 5.0 -19.3 10 424 A V E +A 25 0A 61 -2,-0.5 15,-0.2 15,-0.2 14,-0.0 -0.744 28.7 173.5 -91.1 128.7 -42.4 4.2 -20.9 11 425 A K E - 0 0 75 13,-2.8 2,-0.1 -2,-0.5 -1,-0.1 0.261 39.3 -26.4-104.4-132.1 -41.8 5.1 -24.5 12 426 A E E - 0 0 94 1,-0.1 12,-2.8 11,-0.1 -1,-0.3 -0.383 61.2 -97.4 -91.3 163.8 -38.7 5.0 -26.7 13 427 A D E +A 23 0A 88 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.416 29.6 178.2 -69.5 149.4 -34.9 5.2 -26.0 14 428 A I E S+ 0 0 82 8,-3.2 2,-0.2 1,-0.5 9,-0.2 0.282 70.1 4.3-132.2 5.2 -33.2 8.5 -26.4 15 429 A G E -A 22 0A 29 7,-0.9 7,-2.5 2,-0.1 -1,-0.5 -0.836 63.8-160.6 172.7 145.3 -29.6 7.5 -25.4 16 430 A V E +A 21 0A 119 5,-0.3 2,-0.2 -2,-0.2 5,-0.2 -0.970 16.5 152.5-155.4 130.5 -27.8 4.4 -24.4 17 431 A G - 0 0 47 3,-2.2 -2,-0.1 -2,-0.4 0, 0.0 -0.801 54.9 -94.0-141.8-179.1 -24.6 3.3 -22.6 18 432 A S S S+ 0 0 97 -2,-0.2 3,-0.1 1,-0.2 22,-0.0 0.731 122.7 41.4 -77.9 -23.4 -23.5 0.2 -20.7 19 433 A Y S S- 0 0 133 1,-0.3 21,-2.5 24,-0.1 2,-0.3 0.682 128.7 -8.9 -96.0 -23.0 -24.4 1.6 -17.3 20 434 A S E - B 0 39A 26 19,-0.2 -3,-2.2 23,-0.1 2,-0.3 -0.981 49.7-145.3-171.5 156.4 -27.7 3.2 -18.3 21 435 A V E -AB 16 38A 32 17,-1.0 17,-2.4 -2,-0.3 2,-0.5 -0.945 20.0-135.5-124.8 148.6 -30.2 4.1 -21.0 22 436 A C E -AB 15 37A 42 -7,-2.5 -8,-3.2 -2,-0.3 -7,-0.9 -0.907 23.1-174.3-102.8 134.1 -32.5 7.2 -21.2 23 437 A K E -AB 13 36A 69 13,-2.4 13,-2.0 -2,-0.5 -10,-0.2 -0.948 25.9-120.1-124.1 149.0 -36.1 6.7 -22.3 24 438 A R E - B 0 35A 59 -12,-2.8 -13,-2.8 -2,-0.4 2,-0.3 -0.594 41.6-178.9 -77.4 147.3 -38.8 9.2 -22.9 25 439 A C E -AB 10 34A 0 9,-2.6 9,-2.0 -15,-0.2 2,-0.4 -0.961 23.0-128.4-149.4 166.2 -41.9 8.6 -20.7 26 440 A I E -AB 9 33A 26 -17,-2.9 -17,-2.3 -2,-0.3 2,-0.9 -0.952 16.5-132.9-122.4 131.5 -45.3 9.9 -19.8 27 441 A H E >> -AB 8 32A 49 5,-2.5 4,-4.0 -2,-0.4 5,-0.6 -0.753 25.0-153.7 -77.8 111.4 -46.9 10.8 -16.5 28 442 A K T 45S+ 0 0 103 -21,-1.8 -1,-0.2 -2,-0.9 -20,-0.1 0.921 87.1 51.8 -57.2 -55.0 -50.1 8.9 -16.9 29 443 A A T 45S+ 0 0 83 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.892 128.1 20.2 -41.4 -50.6 -52.2 11.1 -14.6 30 444 A T T 45S- 0 0 74 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.634 92.7-129.6-108.2 -20.3 -51.2 14.3 -16.4 31 445 A N T <5 + 0 0 127 -4,-4.0 2,-0.4 1,-0.3 -3,-0.2 0.748 55.8 144.8 72.0 26.2 -50.0 13.3 -19.8 32 446 A M E < -B 27 0A 113 -5,-0.6 -5,-2.5 1,-0.0 -1,-0.3 -0.796 45.2-127.1 -99.1 139.0 -46.8 15.3 -19.6 33 447 A E E +B 26 0A 68 -2,-0.4 48,-0.6 -7,-0.2 2,-0.3 -0.553 33.1 164.6 -87.5 150.3 -43.6 13.9 -21.1 34 448 A F E -BC 25 80A 32 -9,-2.0 -9,-2.6 -2,-0.2 2,-0.3 -0.960 33.7-112.7-153.9 159.1 -40.3 13.6 -19.3 35 449 A A E -BC 24 79A 15 44,-1.9 44,-2.4 -2,-0.3 2,-0.4 -0.722 26.2-164.5 -94.3 152.9 -36.9 11.9 -19.6 36 450 A V E -BC 23 78A 1 -13,-2.0 -13,-2.4 -2,-0.3 2,-0.4 -0.938 9.3-153.2-141.0 122.6 -35.9 9.1 -17.3 37 451 A K E -BC 22 77A 28 40,-2.2 40,-3.1 -2,-0.4 2,-0.6 -0.746 12.2-155.4 -81.3 133.1 -32.4 7.7 -16.9 38 452 A I E -BC 21 76A 21 -17,-2.4 -17,-1.0 -2,-0.4 2,-0.4 -0.933 10.3-163.5-114.2 110.4 -32.4 4.1 -15.8 39 453 A I E -BC 20 75A 0 36,-1.4 36,-2.5 -2,-0.6 2,-0.6 -0.765 18.6-130.0 -96.5 135.2 -29.2 3.2 -14.0 40 454 A D E >> - C 0 74A 24 -21,-2.5 4,-2.9 -2,-0.4 3,-0.6 -0.722 15.3-156.6 -79.2 117.3 -28.1 -0.4 -13.4 41 455 A K T 34 S+ 0 0 77 32,-2.1 -1,-0.2 -2,-0.6 33,-0.1 0.797 91.7 51.4 -68.9 -30.7 -27.3 -0.7 -9.7 42 456 A S T 34 S+ 0 0 93 31,-0.5 -1,-0.2 1,-0.1 3,-0.1 0.649 116.9 42.2 -80.3 -14.4 -25.0 -3.7 -10.1 43 457 A K T <4 S+ 0 0 122 -3,-0.6 2,-0.3 1,-0.3 -2,-0.2 0.845 127.9 3.8 -95.2 -45.8 -23.1 -1.8 -12.8 44 458 A R < - 0 0 54 -4,-2.9 -1,-0.3 -25,-0.2 -5,-0.0 -0.951 58.5-132.2-140.8 158.1 -22.9 1.7 -11.3 45 459 A D - 0 0 109 -2,-0.3 3,-0.4 -3,-0.1 4,-0.2 -0.952 21.2-175.1-114.4 111.7 -23.8 3.6 -8.1 46 460 A P > + 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.186 48.3 108.6 -96.1 16.5 -25.6 6.8 -9.1 47 461 A T H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.859 77.2 49.5 -70.6 -37.7 -26.0 8.4 -5.7 48 462 A E H > S+ 0 0 37 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.912 111.3 50.8 -64.9 -41.4 -23.4 11.2 -6.0 49 463 A E H > S+ 0 0 11 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.980 112.9 46.9 -55.2 -53.5 -24.9 12.2 -9.4 50 464 A I H X S+ 0 0 24 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.824 111.3 48.2 -60.8 -43.2 -28.4 12.3 -7.8 51 465 A E H X S+ 0 0 98 -4,-2.5 4,-3.9 2,-0.2 5,-0.3 0.952 109.5 54.3 -61.0 -50.9 -27.4 14.3 -4.7 52 466 A I H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.896 113.3 44.0 -47.5 -43.2 -25.6 16.8 -7.0 53 467 A L H X S+ 0 0 6 -4,-2.0 4,-2.6 2,-0.2 12,-0.3 0.899 113.5 48.4 -71.5 -44.1 -29.0 17.0 -8.9 54 468 A L H < S+ 0 0 97 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.931 117.6 43.7 -59.9 -46.3 -31.2 17.2 -5.8 55 469 A R H < S+ 0 0 152 -4,-3.9 -2,-0.2 -5,-0.2 -1,-0.2 0.919 131.6 16.9 -64.3 -44.8 -28.9 19.9 -4.4 56 470 A Y H >< S+ 0 0 5 -4,-2.3 3,-2.0 -5,-0.3 -3,-0.2 0.471 89.1 96.9-119.0 -1.9 -28.4 22.0 -7.5 57 471 A G T 3< S+ 0 0 1 -4,-2.6 -1,-0.1 1,-0.3 -3,-0.1 0.302 71.6 79.0 -77.1 10.3 -31.0 21.3 -10.2 58 472 A Q T 3 + 0 0 131 -3,-0.2 -1,-0.3 6,-0.1 -2,-0.1 0.593 67.9 110.1 -86.5 -16.3 -33.0 24.2 -9.0 59 473 A H S X S- 0 0 33 -3,-2.0 3,-1.8 1,-0.1 -3,-0.0 -0.404 80.7-126.9 -58.2 131.4 -30.5 26.3 -11.0 60 474 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.807 108.9 39.5 -52.6 -32.1 -32.3 27.7 -14.0 61 475 A N T 3 S+ 0 0 19 47,-0.1 84,-2.1 83,-0.1 2,-0.4 0.186 98.9 85.6-110.3 15.2 -29.7 26.3 -16.3 62 476 A I B < S-e 145 0B 2 -3,-1.8 84,-0.2 82,-0.2 -9,-0.0 -0.912 94.4 -97.4-106.7 143.5 -29.1 23.0 -14.6 63 477 A I - 0 0 12 82,-2.0 2,-0.5 -2,-0.4 -4,-0.1 -0.327 41.7-122.7 -61.4 143.5 -31.5 20.2 -15.6 64 478 A T - 0 0 39 -4,-0.1 16,-1.4 -6,-0.1 2,-0.3 -0.795 13.7-137.0-103.9 122.5 -34.3 19.8 -13.1 65 479 A L E +D 79 0A 33 -2,-0.5 14,-0.3 -12,-0.3 3,-0.1 -0.567 22.7 175.6 -79.0 133.0 -35.0 16.6 -11.3 66 480 A K E - 0 0 98 12,-4.0 2,-0.3 1,-0.3 13,-0.2 0.567 59.6 -17.8-117.5 -13.0 -38.7 15.6 -11.1 67 481 A D E -D 78 0A 53 11,-1.3 11,-1.1 2,-0.0 -1,-0.3 -0.963 50.0-159.2-174.7 178.9 -38.7 12.1 -9.5 68 482 A V E -D 77 0A 57 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.901 7.7-174.3-172.3 146.9 -36.6 9.1 -8.6 69 483 A Y E -D 76 0A 52 7,-1.3 7,-1.8 -2,-0.3 2,-0.5 -0.989 20.7-144.1-148.7 150.0 -37.3 5.5 -7.8 70 484 A D E -D 75 0A 92 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.811 14.4-179.0-120.6 89.7 -35.3 2.5 -6.7 71 485 A D - 0 0 77 3,-1.6 -1,-0.1 -2,-0.5 4,-0.1 0.820 53.9-107.5 -47.6 -36.8 -36.9 -0.6 -8.3 72 486 A G S S+ 0 0 50 2,-0.7 -1,-0.1 -3,-0.1 3,-0.1 -0.352 113.3 37.8 131.1 -50.6 -34.3 -2.6 -6.5 73 487 A K S S+ 0 0 54 1,-0.2 -32,-2.1 -32,-0.1 -31,-0.5 0.483 123.2 38.4-102.3 -6.8 -32.0 -3.5 -9.4 74 488 A Y E -C 40 0A 88 -34,-0.2 -3,-1.6 -33,-0.1 -2,-0.7 -0.996 64.9-137.5-151.4 140.4 -32.4 -0.2 -11.1 75 489 A V E -CD 39 70A 6 -36,-2.5 -36,-1.4 -2,-0.3 2,-0.5 -0.784 14.8-156.9 -98.9 151.2 -32.6 3.5 -10.5 76 490 A Y E -CD 38 69A 36 -7,-1.8 -7,-1.3 -2,-0.3 2,-0.7 -0.976 7.4-169.2-128.2 111.3 -35.1 5.7 -12.4 77 491 A V E -CD 37 68A 6 -40,-3.1 -40,-2.2 -2,-0.5 2,-0.4 -0.891 7.0-160.8-111.8 107.2 -34.2 9.3 -12.6 78 492 A V E +CD 36 67A 0 -11,-1.1 -12,-4.0 -2,-0.7 -11,-1.3 -0.731 19.6 158.1 -95.1 128.7 -37.0 11.5 -13.9 79 493 A T E -CD 35 65A 12 -44,-2.4 -44,-1.9 -2,-0.4 -14,-0.2 -0.861 49.3 -71.2-134.9 170.0 -36.3 15.0 -15.3 80 494 A E E -C 34 0A 30 -16,-1.4 2,-0.5 -2,-0.3 -46,-0.2 -0.321 55.9-115.4 -52.6 145.0 -37.8 17.6 -17.6 81 495 A L - 0 0 29 -48,-0.6 2,-0.7 -47,-0.1 -1,-0.1 -0.826 22.4-132.7 -91.3 127.1 -37.5 16.4 -21.3 82 496 A M + 0 0 28 -2,-0.5 3,-0.4 1,-0.2 52,-0.2 -0.696 27.8 176.6 -83.1 112.7 -35.2 18.6 -23.4 83 497 A K + 0 0 117 51,-3.0 52,-0.3 -2,-0.7 51,-0.2 0.716 64.4 68.6 -94.8 -17.4 -37.1 19.4 -26.6 84 498 A G S S- 0 0 1 49,-1.7 -1,-0.2 1,-0.2 50,-0.2 0.268 93.5-132.1 -88.2 12.2 -34.6 21.7 -28.4 85 499 A G - 0 0 32 -3,-0.4 48,-2.7 48,-0.3 -1,-0.2 0.027 52.0 -20.8 68.0-178.0 -31.9 19.2 -29.1 86 500 A E B > -F 132 0B 51 46,-0.2 4,-2.0 1,-0.1 46,-0.3 -0.424 59.7-131.8 -66.6 137.2 -28.2 19.6 -28.4 87 501 A L H > S+ 0 0 1 44,-2.9 4,-2.6 41,-0.4 3,-0.2 0.941 99.5 42.7 -48.4 -68.0 -26.9 23.2 -28.1 88 502 A L H > S+ 0 0 3 40,-0.4 4,-3.3 43,-0.3 5,-0.2 0.850 111.9 53.9 -59.7 -39.3 -23.9 23.2 -30.4 89 503 A D H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 110.9 45.3 -64.5 -43.3 -25.6 21.3 -33.2 90 504 A K H < S+ 0 0 80 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.931 114.3 50.5 -64.0 -42.6 -28.5 23.7 -33.4 91 505 A I H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.948 110.2 49.0 -58.8 -49.4 -26.0 26.6 -33.2 92 506 A L H 3< S+ 0 0 12 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.857 104.1 59.7 -58.2 -40.0 -23.8 25.1 -36.1 93 507 A R T 3< S+ 0 0 128 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.3 0.021 85.3 98.4 -78.2 28.8 -26.9 24.6 -38.3 94 508 A Q X - 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