==== 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 4D9U . 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 . 307 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 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 15.0 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 . 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 . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 3 0 1 0 0 0 2 1 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 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 1 408 A V > 0 0 100 0, 0.0 3,-0.9 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 127.4 -29.6 8.5 2.6 2 409 A Q T 3 + 0 0 110 1,-0.3 0, 0.0 3,-0.1 0, 0.0 0.646 360.0 88.6 -60.6 -12.4 -33.3 9.4 2.2 3 410 A Q T 3 + 0 0 46 1,-0.2 2,-1.1 2,-0.1 -1,-0.3 0.199 57.8 107.3 -67.1 16.4 -32.3 8.6 -1.4 4 411 A L X + 0 0 71 -3,-0.9 3,-0.6 1,-0.1 -1,-0.2 -0.665 37.1 156.1 -94.8 74.6 -33.3 5.1 -0.2 5 412 A H G > + 0 0 32 -2,-1.1 3,-1.1 1,-0.2 72,-0.5 0.336 37.5 106.5 -86.7 5.4 -36.5 5.0 -2.2 6 413 A R G 3 S+ 0 0 72 1,-0.2 -1,-0.2 70,-0.1 -2,-0.0 0.674 75.2 58.7 -55.9 -19.1 -36.7 1.2 -2.3 7 414 A N G < S+ 0 0 97 -3,-0.6 -1,-0.2 2,-0.0 -2,-0.1 0.722 94.6 65.2 -89.5 -25.1 -39.6 1.4 0.3 8 415 A S S < S- 0 0 75 -3,-1.1 2,-0.2 1,-0.2 68,-0.1 0.662 89.5 -77.1 -71.4-129.5 -42.2 3.5 -1.6 9 416 A I - 0 0 119 1,-0.1 68,-0.3 -4,-0.0 2,-0.3 -0.492 54.0 -44.3-132.1-158.7 -44.0 2.4 -4.9 10 417 A Q > - 0 0 87 -2,-0.2 4,-0.7 1,-0.1 -1,-0.1 -0.485 15.0-163.4 -92.3 135.7 -43.7 1.9 -8.6 11 418 A F H >> S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.2 4,-1.7 0.974 101.7 53.5 -62.7 -56.9 -42.3 4.0 -11.4 12 419 A T H 34 S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.672 101.9 64.1 -55.2 -15.6 -44.1 2.0 -14.0 13 420 A D H 34 S+ 0 0 95 1,-0.1 -1,-0.3 3,-0.1 -2,-0.2 0.846 113.3 28.6 -72.6 -36.9 -47.2 2.7 -11.9 14 421 A G H << S+ 0 0 22 -3,-2.0 21,-1.5 -4,-0.7 22,-0.4 0.536 119.7 50.8-106.0 -9.5 -47.1 6.5 -12.5 15 422 A Y E < -A 34 0A 8 -4,-1.7 2,-0.5 19,-0.2 19,-0.2 -0.948 65.9-134.7-134.0 152.1 -45.4 6.7 -15.9 16 423 A E E -A 33 0A 82 17,-2.5 17,-2.2 -2,-0.3 2,-0.4 -0.917 29.8-134.2-102.2 121.9 -45.8 5.2 -19.4 17 424 A V E +A 32 0A 60 -2,-0.5 15,-0.2 15,-0.2 2,-0.0 -0.663 31.4 170.3 -82.9 128.4 -42.4 4.1 -20.8 18 425 A K E - 0 0 69 13,-2.7 2,-0.2 -2,-0.4 14,-0.1 0.162 39.8 -27.9-110.2-135.3 -41.7 5.2 -24.4 19 426 A E E - 0 0 90 1,-0.1 12,-2.7 11,-0.1 -1,-0.3 -0.493 60.3-101.4 -91.7 156.2 -38.6 5.0 -26.6 20 427 A D E -A 30 0A 78 10,-0.3 10,-0.3 -2,-0.2 3,-0.1 -0.358 30.9-179.3 -58.8 147.2 -34.9 5.2 -25.8 21 428 A I E + 0 0 88 8,-4.0 2,-0.2 1,-0.5 9,-0.2 0.285 69.2 8.3-131.4 3.0 -33.4 8.6 -26.4 22 429 A G E -A 29 0A 31 7,-1.2 7,-2.7 2,-0.0 -1,-0.5 -0.863 65.8-156.0-178.5 144.8 -29.8 7.7 -25.3 23 430 A V E +A 28 0A 114 -2,-0.2 2,-0.2 5,-0.2 5,-0.2 -0.990 15.7 159.9-140.1 143.3 -27.8 4.6 -24.4 24 431 A G - 0 0 40 3,-2.1 3,-0.1 -2,-0.4 -2,-0.0 -0.831 51.8 -93.8-142.5-178.6 -24.7 3.6 -22.5 25 432 A S S S+ 0 0 93 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.845 121.6 22.0 -72.1 -36.6 -23.3 0.5 -20.9 26 433 A Y S S+ 0 0 80 1,-0.1 21,-1.7 24,-0.1 2,-0.3 0.201 126.8 36.7-120.6 13.3 -24.7 1.0 -17.4 27 434 A S E - B 0 46A 18 19,-0.2 -3,-2.1 -3,-0.1 2,-0.3 -0.984 54.0-163.1-160.7 161.4 -27.5 3.4 -18.1 28 435 A V E -AB 23 45A 41 17,-2.2 17,-3.8 -2,-0.3 2,-0.5 -0.996 12.4-145.0-142.9 139.8 -30.3 4.3 -20.6 29 436 A C E +AB 22 44A 40 -7,-2.7 -8,-4.0 -2,-0.3 -7,-1.2 -0.948 23.9 175.5-107.7 124.1 -32.5 7.4 -21.2 30 437 A K E -AB 20 43A 52 13,-2.3 13,-2.2 -2,-0.5 -10,-0.3 -0.863 30.2-117.7-118.5 158.5 -36.0 6.8 -22.3 31 438 A R E - B 0 42A 51 -12,-2.7 -13,-2.7 -2,-0.3 2,-0.3 -0.665 39.3-175.7 -87.0 151.4 -38.9 9.3 -22.9 32 439 A C E -AB 17 41A 0 9,-3.1 9,-2.8 -2,-0.3 2,-0.5 -0.978 23.4-132.2-149.6 163.0 -42.0 8.9 -20.7 33 440 A I E -AB 16 40A 26 -17,-2.2 -17,-2.5 -2,-0.3 2,-0.9 -0.963 21.0-130.3-122.8 124.1 -45.5 10.1 -20.0 34 441 A H E >>> -AB 15 39A 50 5,-2.8 4,-2.5 -2,-0.5 3,-1.2 -0.591 24.9-147.7 -68.1 105.7 -46.9 10.9 -16.6 35 442 A K T 345S+ 0 0 108 -21,-1.5 -1,-0.2 -2,-0.9 -20,-0.1 0.835 89.6 50.0 -47.4 -46.1 -50.1 8.9 -16.8 36 443 A A T 345S+ 0 0 87 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.743 125.8 23.3 -69.6 -27.0 -52.2 11.3 -14.7 37 444 A T T <45S- 0 0 69 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.485 92.3-130.1-119.0 -8.3 -51.4 14.5 -16.5 38 445 A N T <5 + 0 0 128 -4,-2.5 2,-0.2 1,-0.2 -3,-0.1 0.601 58.4 145.1 65.7 12.5 -50.3 13.3 -20.0 39 446 A M E < -B 34 0A 108 -5,-0.5 -5,-2.8 1,-0.1 -1,-0.2 -0.559 46.5-118.9 -86.8 148.4 -47.1 15.4 -19.7 40 447 A E E +B 33 0A 66 -7,-0.2 48,-0.5 -2,-0.2 2,-0.3 -0.558 34.9 164.9 -89.8 148.2 -43.8 14.3 -21.1 41 448 A F E -BC 32 87A 26 -9,-2.8 -9,-3.1 -2,-0.2 2,-0.3 -0.946 32.0-119.1-148.8 168.6 -40.6 13.6 -19.3 42 449 A A E -BC 31 86A 13 44,-1.9 44,-2.7 -2,-0.3 2,-0.3 -0.793 24.1-166.4-102.4 155.0 -37.1 12.0 -19.7 43 450 A V E -BC 30 85A 0 -13,-2.2 -13,-2.3 -2,-0.3 2,-0.6 -0.881 10.1-155.5-146.8 111.5 -36.1 9.2 -17.4 44 451 A K E -BC 29 84A 21 40,-2.1 40,-2.9 -2,-0.3 2,-0.5 -0.769 15.1-156.0 -81.4 123.7 -32.5 8.0 -17.1 45 452 A I E -BC 28 83A 26 -17,-3.8 -17,-2.2 -2,-0.6 2,-0.5 -0.920 10.0-159.5-103.0 128.3 -32.6 4.4 -15.9 46 453 A I E -BC 27 82A 0 36,-2.8 36,-1.9 -2,-0.5 2,-0.6 -0.930 17.5-128.4-120.1 124.9 -29.4 3.3 -14.1 47 454 A D E >> - C 0 81A 29 -21,-1.7 4,-2.0 -2,-0.5 3,-1.1 -0.549 16.3-160.8 -70.4 114.2 -28.2 -0.2 -13.5 48 455 A K T 34 S+ 0 0 72 32,-2.8 -1,-0.2 -2,-0.6 33,-0.1 0.682 88.1 56.9 -69.7 -22.3 -27.4 -0.4 -9.7 49 456 A S T 34 S+ 0 0 104 31,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.496 114.3 39.3 -88.8 -4.7 -25.2 -3.5 -10.1 50 457 A K T <4 S+ 0 0 127 -3,-1.1 2,-0.3 1,-0.4 -2,-0.2 0.683 125.7 9.9-112.6 -32.4 -23.0 -1.6 -12.6 51 458 A R < - 0 0 44 -4,-2.0 -1,-0.4 -25,-0.1 -5,-0.0 -0.996 62.1-124.9-150.5 152.3 -22.8 1.9 -11.1 52 459 A D - 0 0 108 -2,-0.3 3,-0.4 1,-0.1 4,-0.3 -0.895 21.1-174.2-100.0 114.9 -23.7 3.9 -8.0 53 460 A P > + 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.349 53.9 105.9 -90.3 5.9 -25.9 6.8 -9.0 54 461 A T H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.893 78.9 46.9 -59.3 -44.9 -26.0 8.4 -5.5 55 462 A E H > S+ 0 0 44 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.914 112.7 49.4 -66.5 -41.9 -23.6 11.3 -6.2 56 463 A E H > S+ 0 0 8 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.971 113.2 47.1 -56.9 -53.5 -25.3 12.2 -9.5 57 464 A I H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.848 111.3 50.2 -59.6 -38.3 -28.8 12.2 -7.8 58 465 A E H X S+ 0 0 59 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.900 110.6 49.7 -65.9 -42.2 -27.7 14.3 -4.8 59 466 A I H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.921 112.7 47.5 -63.8 -44.3 -26.1 16.8 -7.1 60 467 A L H X S+ 0 0 7 -4,-2.6 4,-1.6 -5,-0.2 12,-0.4 0.868 112.5 50.4 -63.6 -36.4 -29.3 17.0 -9.1 61 468 A L H < S+ 0 0 103 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.905 118.0 37.3 -68.9 -41.8 -31.3 17.2 -5.9 62 469 A R H < S+ 0 0 153 -4,-2.9 -2,-0.2 -5,-0.1 3,-0.2 0.877 132.9 22.5 -77.6 -37.5 -29.2 20.1 -4.4 63 470 A Y H >< S+ 0 0 4 -4,-2.7 3,-2.5 -5,-0.2 -3,-0.2 0.505 89.8 96.5-113.9 -6.0 -28.5 22.1 -7.6 64 471 A G T 3< S+ 0 0 4 -4,-1.6 5,-0.2 -5,-0.4 -1,-0.1 0.560 74.6 74.5 -63.0 -4.4 -31.3 21.1 -10.1 65 472 A Q T 3 + 0 0 166 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.672 69.3 107.8 -83.0 -17.8 -33.0 24.2 -8.9 66 473 A H S X S- 0 0 36 -3,-2.5 3,-2.1 1,-0.1 -3,-0.0 -0.401 79.0-127.9 -60.8 132.4 -30.6 26.3 -10.9 67 474 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.728 107.6 43.3 -57.9 -22.1 -32.4 27.7 -14.0 68 475 A N T 3 S+ 0 0 22 47,-0.1 84,-1.7 2,-0.1 2,-0.4 0.114 98.4 85.4-113.9 19.4 -29.7 26.4 -16.3 69 476 A I B < S-e 152 0B 2 -3,-2.1 84,-0.2 82,-0.2 82,-0.0 -0.944 93.6 -93.2-118.1 140.9 -29.2 23.0 -14.8 70 477 A I - 0 0 11 82,-2.5 2,-0.6 -2,-0.4 -4,-0.1 -0.259 45.5-126.9 -54.1 140.6 -31.4 20.0 -15.7 71 478 A T - 0 0 27 -4,-0.1 16,-1.4 -6,-0.1 2,-0.2 -0.818 10.8-137.7-107.5 117.6 -34.4 19.8 -13.3 72 479 A L E +D 86 0A 35 -2,-0.6 14,-0.3 -12,-0.4 3,-0.1 -0.501 22.4 175.9 -75.7 134.1 -35.2 16.6 -11.4 73 480 A K E - 0 0 107 12,-3.6 2,-0.3 1,-0.4 13,-0.2 0.666 60.8 -19.9-113.3 -25.5 -39.0 15.8 -11.3 74 481 A D E -D 85 0A 50 11,-1.4 11,-1.4 2,-0.0 -1,-0.4 -0.951 54.1-155.0-168.5 173.6 -39.2 12.4 -9.5 75 482 A V E -D 84 0A 42 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.852 7.3-174.5-168.7 136.1 -37.1 9.4 -8.7 76 483 A Y E -D 83 0A 34 7,-1.9 7,-2.2 -2,-0.2 2,-0.2 -0.820 12.6-162.3-127.5 166.8 -37.6 5.7 -7.9 77 484 A D E +D 82 0A 18 -72,-0.5 5,-0.2 -68,-0.3 -69,-0.1 -0.719 8.0 178.1-153.0 91.4 -35.6 2.6 -6.9 78 485 A D - 0 0 68 3,-1.2 2,-0.2 -2,-0.2 4,-0.1 0.322 65.1 -96.4 -79.1 9.4 -37.2 -0.8 -7.5 79 486 A G S S+ 0 0 37 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.411 116.6 46.5 110.8 -54.7 -34.0 -2.3 -6.1 80 487 A K S S+ 0 0 128 -2,-0.2 -32,-2.8 1,-0.2 -31,-0.4 0.765 115.2 34.9 -94.0 -30.4 -32.1 -3.1 -9.2 81 488 A Y E -C 47 0A 75 -34,-0.2 -3,-1.2 -33,-0.1 2,-0.5 -0.990 65.9-142.5-131.1 132.7 -32.5 0.2 -11.2 82 489 A V E -CD 46 77A 4 -36,-1.9 -36,-2.8 -2,-0.4 2,-0.7 -0.818 17.0-153.5 -89.0 130.9 -32.7 3.8 -10.1 83 490 A Y E -CD 45 76A 28 -7,-2.2 -7,-1.9 -2,-0.5 2,-0.8 -0.902 8.5-168.3-106.1 104.8 -35.2 5.8 -12.3 84 491 A V E -CD 44 75A 3 -40,-2.9 -40,-2.1 -2,-0.7 2,-0.5 -0.826 7.6-159.2 -99.7 108.5 -34.3 9.5 -12.4 85 492 A V E +CD 43 74A 0 -11,-1.4 -12,-3.6 -2,-0.8 -11,-1.4 -0.723 19.5 164.5 -91.2 125.8 -37.2 11.5 -13.9 86 493 A T E -CD 42 72A 13 -44,-2.7 -44,-1.9 -2,-0.5 2,-0.2 -0.759 45.1 -75.0-127.5 177.1 -36.4 14.9 -15.4 87 494 A E E -C 41 0A 31 -16,-1.4 2,-0.4 -2,-0.2 -46,-0.2 -0.532 55.0-116.6 -65.5 138.3 -37.9 17.6 -17.6 88 495 A L - 0 0 30 -48,-0.5 2,-0.6 -2,-0.2 -48,-0.1 -0.720 21.5-132.0 -87.0 129.3 -37.6 16.5 -21.3 89 496 A M + 0 0 30 -2,-0.4 3,-0.4 1,-0.1 52,-0.2 -0.681 25.4 177.9 -86.5 117.4 -35.4 18.6 -23.5 90 497 A K + 0 0 114 51,-2.6 51,-0.2 -2,-0.6 52,-0.2 0.439 68.1 67.9-104.0 2.5 -37.1 19.6 -26.7 91 498 A G S S- 0 0 1 49,-2.5 -1,-0.2 1,-0.2 50,-0.2 0.361 90.2-139.7-101.1 3.7 -34.5 21.8 -28.3 92 499 A G - 0 0 34 48,-0.4 48,-2.0 -3,-0.4 -1,-0.2 0.022 53.8 -15.1 62.2-176.4 -31.8 19.1 -29.0 93 500 A E B > -F 139 0B 34 46,-0.2 4,-1.9 1,-0.1 46,-0.2 -0.304 61.1-138.8 -57.9 136.5 -28.1 19.6 -28.5 94 501 A L H > S+ 0 0 0 44,-2.1 4,-2.6 41,-0.5 5,-0.2 0.950 98.3 46.2 -63.6 -52.9 -27.0 23.2 -28.1 95 502 A L H > S+ 0 0 1 40,-0.4 4,-2.9 43,-0.4 5,-0.2 0.911 112.7 51.5 -64.9 -40.4 -23.9 23.2 -30.2 96 503 A D H > S+ 0 0 27 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.901 110.1 48.1 -60.6 -45.1 -25.6 21.3 -33.1 97 504 A K H < S+ 0 0 80 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.941 113.4 48.5 -63.4 -44.4 -28.5 23.7 -33.2 98 505 A I H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 6,-0.2 0.911 108.1 52.8 -59.5 -47.4 -26.1 26.6 -33.2 99 506 A L H 3< S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 105.3 56.8 -59.5 -31.3 -23.9 25.2 -36.0 100 507 A R T 3< S+ 0 0 136 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.3 0.209 85.8 95.2 -85.2 15.9 -27.0 24.7 -38.2 101 508 A Q X - 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