==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-APR-12 2LRU . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE WNK1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR T.M.MOON,F.CORREA,K.H.GARDNER,E.J.GOLDSMITH . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 14.3 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 . 0 0.0 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 . 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 . 12 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 475 A G 0 0 131 0, 0.0 2,-1.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 157.5 -2.5 15.1 4.8 2 476 A A + 0 0 81 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.696 360.0 164.0 -84.3 102.5 0.9 16.2 3.6 3 477 A M + 0 0 183 -2,-1.0 -1,-0.2 2,-0.1 0, 0.0 0.813 58.1 77.9 -83.5 -34.4 0.5 19.5 1.8 4 478 A D S > S- 0 0 92 -3,-0.2 2,-3.2 1,-0.1 3,-0.6 -0.576 94.7-112.9 -80.6 135.2 4.2 20.4 2.0 5 479 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.284 86.3 107.4 -63.1 57.7 6.5 18.6 -0.6 6 480 A Q T 3 + 0 0 119 -2,-3.2 -3,-0.0 3,-0.0 -4,-0.0 0.846 41.8 174.8 -94.9 -62.6 8.3 16.6 2.2 7 481 A E < + 0 0 125 -3,-0.6 0, 0.0 1,-0.1 0, 0.0 0.974 1.3 175.5 51.5 66.4 6.9 13.1 1.6 8 482 A E + 0 0 127 2,-0.1 2,-0.4 29,-0.0 -1,-0.1 0.774 52.3 94.1 -72.7 -26.7 9.1 11.4 4.2 9 483 A T - 0 0 65 1,-0.1 70,-0.0 2,-0.1 28,-0.0 -0.553 68.8-151.6 -70.1 120.2 7.4 8.1 3.6 10 484 A G S S+ 0 0 4 -2,-0.4 24,-1.7 23,-0.1 23,-1.1 0.122 75.5 57.9 -82.7 25.5 9.4 6.2 1.0 11 485 A V E +A 32 0A 4 21,-0.3 2,-0.3 22,-0.2 21,-0.2 -0.988 56.1 179.3-150.6 154.1 6.3 4.4 -0.1 12 486 A R E -A 31 0A 74 19,-2.5 19,-2.8 -2,-0.3 2,-0.5 -0.952 15.6-146.2-159.0 135.2 2.9 5.3 -1.5 13 487 A V E -A 30 0A 0 70,-0.4 2,-0.3 -2,-0.3 17,-0.2 -0.907 18.4-178.9-112.3 131.0 -0.1 3.2 -2.6 14 488 A E E -A 29 0A 55 15,-1.8 15,-2.6 -2,-0.5 2,-0.3 -0.805 31.4 -98.9-122.2 163.3 -2.4 4.1 -5.4 15 489 A L E -A 28 0A 36 -2,-0.3 13,-0.2 13,-0.2 11,-0.0 -0.611 13.2-146.7 -83.5 140.6 -5.5 2.6 -7.0 16 490 A A S S+ 0 0 46 11,-3.2 2,-0.2 -2,-0.3 12,-0.1 0.655 91.9 14.2 -75.6 -18.0 -5.2 0.5 -10.2 17 491 A E S S- 0 0 58 10,-0.5 2,-0.6 0, 0.0 -2,-0.1 -0.572 100.8 -82.5-133.8-163.9 -8.6 1.9 -11.0 18 492 A E - 0 0 169 -2,-0.2 2,-0.2 2,-0.0 -2,-0.0 -0.826 41.1-150.7-115.2 92.8 -10.8 4.7 -9.7 19 493 A D + 0 0 30 -2,-0.6 -4,-0.0 1,-0.2 7,-0.0 -0.425 42.3 136.3 -63.8 125.7 -12.7 3.5 -6.6 20 494 A D + 0 0 147 -2,-0.2 -1,-0.2 75,-0.0 2,-0.0 0.172 57.4 59.7-153.2 14.3 -16.0 5.2 -6.2 21 495 A G S S- 0 0 41 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.209 96.5 -84.9-117.7-125.4 -18.3 2.4 -5.3 22 496 A E + 0 0 176 3,-0.1 -3,-0.0 -2,-0.0 73,-0.0 0.197 61.0 152.0-141.2 7.8 -18.6 -0.2 -2.5 23 497 A K - 0 0 83 1,-0.2 31,-0.1 2,-0.0 -2,-0.1 -0.225 34.1-156.2 -49.8 123.8 -16.3 -2.9 -3.8 24 498 A I S S+ 0 0 65 1,-0.2 30,-3.9 29,-0.1 2,-0.5 0.824 80.9 52.5 -75.6 -30.2 -14.9 -4.8 -0.9 25 499 A A E S+ B 0 53A 54 28,-0.3 28,-0.3 29,-0.1 2,-0.2 -0.928 70.7 171.3-115.5 123.9 -11.9 -5.9 -2.9 26 500 A I E - B 0 52A 5 26,-2.9 26,-2.0 -2,-0.5 2,-0.4 -0.538 30.9-116.5-117.6-177.5 -9.8 -3.4 -4.8 27 501 A K E - B 0 51A 65 24,-0.3 -11,-3.2 -2,-0.2 -10,-0.5 -0.970 32.9-179.9-130.8 117.7 -6.5 -3.4 -6.7 28 502 A L E -AB 15 50A 0 22,-3.5 22,-3.5 -2,-0.4 2,-0.5 -0.751 20.7-143.3-113.1 156.5 -3.6 -1.3 -5.4 29 503 A W E -AB 14 49A 96 -15,-2.6 -15,-1.8 20,-0.3 2,-1.1 -0.981 14.9-141.0-119.9 119.3 -0.1 -0.7 -6.6 30 504 A L E -AB 13 48A 0 18,-3.4 18,-2.6 -2,-0.5 2,-0.5 -0.677 22.8-162.3 -76.2 100.2 2.6 -0.3 -4.0 31 505 A R E -AB 12 47A 132 -19,-2.8 -19,-2.5 -2,-1.1 2,-0.8 -0.763 12.8-136.6 -88.4 125.7 4.8 2.5 -5.4 32 506 A I E -A 11 0A 14 14,-1.8 14,-0.3 -2,-0.5 -21,-0.3 -0.745 22.1-178.9 -86.1 113.5 8.2 2.8 -3.9 33 507 A E S S+ 0 0 64 -23,-1.1 2,-0.4 -2,-0.8 -22,-0.2 0.914 72.9 9.0 -79.0 -46.1 9.0 6.4 -3.3 34 508 A D > - 0 0 66 -24,-1.7 3,-1.1 1,-0.1 -1,-0.3 -0.878 54.1-173.2-144.3 106.0 12.5 6.2 -1.9 35 509 A I T 3 S+ 0 0 35 -2,-0.4 3,-0.4 1,-0.3 5,-0.4 0.609 86.0 68.0 -75.2 -11.4 14.4 2.9 -2.0 36 510 A K T 3 S+ 0 0 167 1,-0.2 -1,-0.3 3,-0.1 -26,-0.0 0.687 94.1 57.7 -79.6 -20.1 17.2 4.5 0.1 37 511 A K S < S+ 0 0 118 -3,-1.1 -1,-0.2 -27,-0.1 -2,-0.2 0.598 102.8 72.5 -78.9 -14.2 14.8 4.7 3.0 38 512 A L S S- 0 0 14 -3,-0.4 2,-0.1 -4,-0.3 4,-0.1 -0.446 76.4-136.1 -99.5 173.2 14.4 0.9 2.7 39 513 A K S S+ 0 0 167 -2,-0.1 36,-0.3 34,-0.1 2,-0.2 -0.516 72.1 43.9-131.6 64.5 16.7 -1.9 3.6 40 514 A G S S- 0 0 36 -5,-0.4 2,-0.8 -2,-0.1 -2,-0.1 -0.851 99.0 -44.2-169.3-154.8 16.6 -4.4 0.7 41 515 A K S S+ 0 0 187 -2,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.856 71.4 139.8-102.8 102.5 16.7 -4.8 -3.0 42 516 A Y - 0 0 32 -2,-0.8 2,-0.4 -7,-0.1 30,-0.0 -0.784 41.1-130.5-132.6 176.4 14.3 -2.3 -4.6 43 517 A K > - 0 0 121 -2,-0.2 3,-1.0 -9,-0.0 2,-0.9 -0.998 16.6-132.5-136.0 139.1 14.1 -0.0 -7.6 44 518 A D T 3 S+ 0 0 107 -2,-0.4 -13,-0.0 1,-0.3 -11,-0.0 -0.071 107.5 49.2 -81.3 37.0 13.3 3.7 -7.8 45 519 A N T 3 S+ 0 0 125 -2,-0.9 2,-0.3 0, 0.0 -1,-0.3 -0.013 89.2 106.7-164.0 36.0 10.9 2.9 -10.7 46 520 A E < - 0 0 90 -3,-1.0 -14,-1.8 -14,-0.3 2,-0.3 -0.899 38.9-173.7-128.1 151.7 8.8 0.0 -9.5 47 521 A A E -B 31 0A 22 -2,-0.3 2,-0.8 -16,-0.2 -16,-0.3 -0.968 17.0-143.9-146.3 130.1 5.3 -0.5 -8.3 48 522 A I E -B 30 0A 15 -18,-2.6 -18,-3.4 -2,-0.3 2,-0.3 -0.834 14.4-147.9-101.8 105.6 3.9 -3.7 -6.8 49 523 A E E +B 29 0A 88 -2,-0.8 2,-0.3 -20,-0.3 -20,-0.3 -0.550 27.4 163.7 -71.4 130.0 0.3 -4.4 -7.8 50 524 A F E -B 28 0A 20 -22,-3.5 -22,-3.5 -2,-0.3 2,-0.3 -0.990 34.3-126.1-148.1 140.2 -1.7 -6.2 -5.1 51 525 A S E -B 27 0A 61 -2,-0.3 2,-0.5 -24,-0.3 -24,-0.3 -0.687 24.9-156.0 -87.5 140.9 -5.5 -6.7 -4.6 52 526 A F E -B 26 0A 2 -26,-2.0 -26,-2.9 -2,-0.3 2,-0.8 -0.953 12.3-154.4-127.8 114.7 -6.9 -5.7 -1.2 53 527 A D E > -B 25 0A 35 -2,-0.5 4,-1.9 -28,-0.3 -28,-0.3 -0.796 14.5-151.7 -81.8 112.2 -10.0 -7.0 0.4 54 528 A L T 4 S+ 0 0 9 -30,-3.9 -1,-0.1 -2,-0.8 -29,-0.1 0.623 93.2 29.9 -65.8 -13.8 -11.0 -4.1 2.6 55 529 A E T 4 S+ 0 0 151 -31,-0.3 -1,-0.2 3,-0.0 -30,-0.1 0.754 131.8 29.9-108.4 -42.7 -12.7 -6.5 5.0 56 530 A R T 4 S+ 0 0 205 -32,-0.1 2,-0.2 2,-0.0 -2,-0.2 0.853 106.2 73.6 -90.7 -38.7 -10.7 -9.8 4.6 57 531 A D < - 0 0 57 -4,-1.9 3,-0.1 4,-0.0 -5,-0.1 -0.510 65.4-150.9 -83.7 147.1 -7.2 -8.6 3.7 58 532 A V > - 0 0 74 -2,-0.2 4,-2.6 1,-0.1 3,-0.4 -0.959 15.6-133.7-119.7 133.8 -4.9 -7.0 6.3 59 533 A P H > S+ 0 0 17 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.913 109.0 42.7 -51.1 -51.2 -2.2 -4.4 5.4 60 534 A E H > S+ 0 0 57 1,-0.2 4,-1.0 2,-0.2 21,-0.1 0.773 111.8 56.6 -69.7 -25.3 0.5 -6.1 7.4 61 535 A D H >> S+ 0 0 79 -3,-0.4 4,-1.8 2,-0.2 3,-0.6 0.952 107.8 47.1 -67.2 -48.6 -0.6 -9.5 6.1 62 536 A V H 3X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.3 -2,-0.2 0.874 107.8 56.0 -60.6 -39.8 -0.1 -8.4 2.5 63 537 A A H 3X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.3 0.791 104.2 54.3 -67.1 -26.6 3.3 -6.9 3.3 64 538 A Q H S+ 0 0 6 -4,-2.5 5,-3.2 1,-0.2 6,-2.2 0.892 110.2 44.8 -54.9 -43.4 5.3 -9.1 -0.3 67 541 A V H ><5S+ 0 0 25 -4,-1.6 3,-1.1 4,-0.2 -2,-0.2 0.953 117.3 42.8 -66.7 -50.2 8.3 -10.3 1.7 68 542 A E H 3<5S+ 0 0 146 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.874 109.9 55.8 -68.2 -38.3 7.8 -14.0 1.1 69 543 A S T 3<5S- 0 0 79 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.486 120.8-106.9 -76.2 -1.8 7.0 -13.6 -2.6 70 544 A G T < 5S+ 0 0 66 -3,-1.1 -3,-0.2 2,-0.3 -2,-0.1 0.804 93.8 104.5 84.7 30.2 10.3 -11.8 -3.1 71 545 A Y S - 0 0 41 -2,-0.3 3,-2.7 1,-0.1 -34,-0.1 -0.757 26.2-124.9 -87.9 140.3 12.5 -7.2 2.4 74 548 A E G > S+ 0 0 93 -2,-0.4 3,-1.1 1,-0.3 4,-0.3 0.716 109.2 67.9 -59.4 -21.2 11.2 -8.3 5.9 75 549 A G G 3 S+ 0 0 61 -36,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.698 104.0 42.7 -70.9 -18.1 13.1 -5.3 7.3 76 550 A D G <> S+ 0 0 7 -3,-2.7 4,-2.7 1,-0.1 5,-0.2 0.157 79.7 112.9-112.6 16.1 10.7 -2.9 5.5 77 551 A H H <> S+ 0 0 22 -3,-1.1 4,-2.9 1,-0.2 5,-0.2 0.921 80.7 44.3 -54.0 -51.1 7.6 -4.9 6.4 78 552 A K H > S+ 0 0 129 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.899 112.6 53.4 -63.6 -41.0 6.1 -2.2 8.6 79 553 A T H > S+ 0 0 49 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.928 113.6 41.7 -58.0 -48.4 7.1 0.5 6.1 80 554 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.931 115.3 49.2 -67.3 -47.2 5.2 -1.3 3.3 81 555 A A H X S+ 0 0 1 -4,-2.9 4,-3.5 1,-0.2 5,-0.2 0.852 108.9 54.0 -61.7 -35.6 2.2 -2.2 5.4 82 556 A K H X S+ 0 0 106 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.866 107.8 50.4 -66.6 -36.5 2.1 1.4 6.6 83 557 A A H X S+ 0 0 2 -4,-1.6 4,-1.8 2,-0.2 -70,-0.4 0.930 114.0 44.9 -62.6 -46.4 1.9 2.4 3.0 84 558 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.950 116.3 44.7 -61.4 -51.1 -0.9 -0.1 2.4 85 559 A K H X S+ 0 0 87 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.851 108.7 58.7 -65.1 -35.4 -2.7 0.9 5.5 86 560 A D H X S+ 0 0 66 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.913 112.2 39.8 -59.7 -43.6 -2.2 4.6 4.8 87 561 A R H X S+ 0 0 24 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.943 114.3 51.3 -72.0 -49.0 -4.0 4.2 1.4 88 562 A V H X S+ 0 0 7 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.852 107.5 56.7 -57.7 -34.2 -6.7 1.9 2.7 89 563 A S H X S+ 0 0 81 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.948 111.1 40.2 -61.9 -49.9 -7.3 4.4 5.5 90 564 A L H X S+ 0 0 42 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.876 113.5 56.5 -70.3 -36.4 -8.0 7.3 3.0 91 565 A I H X S+ 0 0 3 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.961 112.3 40.2 -54.1 -55.3 -9.9 4.9 0.8 92 566 A K H < S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.830 112.9 58.0 -65.2 -31.4 -12.3 3.9 3.6 93 567 A R H >< S+ 0 0 156 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.899 104.4 49.2 -65.7 -43.0 -12.3 7.6 4.7 94 568 A K H >< S+ 0 0 151 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.848 106.5 58.4 -63.7 -32.8 -13.6 8.8 1.3 95 569 A R T 3< S+ 0 0 68 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.522 87.7 75.5 -75.7 -6.1 -16.2 6.1 1.5 96 570 A E T < S+ 0 0 130 -3,-1.3 2,-0.4 -4,-0.2 -1,-0.3 0.492 84.1 82.3 -82.8 -3.0 -17.5 7.7 4.8 97 571 A Q < 0 0 156 -3,-1.3 -3,-0.0 -4,-0.1 0, 0.0 -0.840 360.0 360.0-102.8 138.1 -19.0 10.4 2.6 98 572 A R 0 0 309 -2,-0.4 -3,-0.1 0, 0.0 -2,-0.1 -0.739 360.0 360.0 -89.5 360.0 -22.4 9.8 1.0