==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-APR-08 2ZMC . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.L.H.CHU,L.M.G.CHAVAS,K.T.DOUGLAS,P.A.EYERS,L.TABERNERO . 260 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 14.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 20 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 0 1 0 1 1 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 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 . 0 1 3 0 1 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 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 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 1 516 A E 0 0 211 0, 0.0 11,-1.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -92.9 -50.6 -18.4 2.1 2 517 A C E -A 11 0A 47 9,-0.2 2,-0.3 25,-0.0 9,-0.2 -0.948 360.0-143.1-177.9 143.5 -49.8 -21.6 0.1 3 518 A I E -A 10 0A 15 7,-2.8 7,-3.0 -2,-0.3 2,-0.4 -0.859 1.9-152.4-124.5 151.6 -50.3 -23.2 -3.3 4 519 A S E +A 9 0A 49 -2,-0.3 5,-0.3 5,-0.3 4,-0.1 -0.992 13.3 176.8-121.8 131.5 -50.9 -26.7 -4.7 5 520 A V - 0 0 2 3,-2.9 -1,-0.1 -2,-0.4 4,-0.1 0.801 63.7 -22.0 -93.9 -90.9 -49.8 -27.7 -8.2 6 521 A K S S- 0 0 101 2,-0.1 2,-0.2 3,-0.0 70,-0.1 -0.468 131.5 -21.2-168.8 79.8 -50.4 -31.3 -9.3 7 522 A G S S+ 0 0 60 -2,-0.1 -3,-0.1 0, 0.0 2,-0.0 -0.314 118.4 90.4 -38.7 -88.3 -50.7 -33.1 -6.8 8 523 A R - 0 0 121 -2,-0.2 -3,-2.9 -4,-0.1 -2,-0.1 0.467 58.9-126.1 168.2 129.9 -49.3 -31.3 -4.7 9 524 A I E +A 4 0A 82 -5,-0.3 21,-0.4 -4,-0.1 2,-0.3 -0.357 20.3 180.0 -90.0 148.3 -48.7 -28.7 -1.9 10 525 A Y E -A 3 0A 20 -7,-3.0 -7,-2.8 19,-0.1 2,-0.3 -0.961 20.5-142.1-144.2 121.3 -46.2 -25.8 -1.7 11 526 A S E -AB 2 28A 71 17,-2.3 17,-2.4 -2,-0.3 2,-0.8 -0.607 28.0-125.6 -74.6 139.9 -45.6 -23.3 1.1 12 527 A I E + B 0 27A 50 -11,-1.0 15,-0.3 -2,-0.3 3,-0.1 -0.810 28.8 178.1 -94.6 107.3 -44.8 -19.8 -0.4 13 528 A L E - 0 0 90 13,-2.1 2,-0.2 -2,-0.8 14,-0.2 0.952 64.1 -33.2 -70.4 -51.8 -41.5 -18.4 1.0 14 529 A K E - B 0 26A 128 12,-1.4 12,-0.8 3,-0.0 2,-0.4 -0.778 58.9-101.8-148.9-171.9 -41.4 -15.1 -1.0 15 530 A Q - 0 0 86 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.919 17.6-165.3-128.5 109.3 -42.4 -13.6 -4.3 16 531 A I - 0 0 99 -2,-0.4 2,-0.3 8,-0.2 9,-0.2 0.747 66.3 -55.7 -61.4 -26.5 -39.6 -13.1 -6.7 17 532 A G - 0 0 25 7,-1.5 7,-0.5 -3,-0.1 2,-0.4 -0.987 42.2 -93.8 175.1-178.1 -41.8 -10.8 -8.7 18 533 A S + 0 0 86 -2,-0.3 5,-0.3 5,-0.2 -3,-0.0 -0.989 30.2 179.2-122.6 117.6 -44.9 -9.8 -10.6 19 534 A G S S- 0 0 50 3,-3.0 -1,-0.1 -2,-0.4 4,-0.1 0.879 70.9 -75.6 -48.5 -59.8 -44.6 -10.4 -14.4 20 535 A G S S- 0 0 34 2,-0.4 3,-0.1 -3,-0.1 -2,-0.1 0.653 97.8 -19.6-143.5 172.3 -47.4 -9.4 -14.5 21 536 A S S S+ 0 0 68 1,-0.2 20,-0.4 18,-0.1 2,-0.3 -0.663 120.4 92.9 -95.0 51.9 -49.8 -10.8 -13.8 22 537 A S - 0 0 19 18,-0.2 -3,-3.0 19,-0.0 -2,-0.4 -0.691 68.4-161.9 -69.7 150.7 -47.4 -13.6 -14.3 23 538 A K E - C 0 39A 57 16,-2.5 16,-1.9 -2,-0.3 2,-0.3 -0.830 11.2-160.1-149.9 107.2 -46.2 -14.1 -10.7 24 539 A V E - C 0 38A 42 -7,-0.5 -7,-1.5 -2,-0.3 2,-0.3 -0.617 14.3-174.3 -87.0 144.6 -43.1 -16.0 -9.6 25 540 A F E - C 0 37A 25 12,-1.3 12,-1.6 -10,-0.3 2,-0.6 -0.962 31.8-122.8-132.6 152.2 -42.6 -17.2 -6.1 26 541 A Q E +BC 14 36A 44 -12,-0.8 -13,-2.1 -2,-0.3 -12,-1.4 -0.891 49.3 179.5 -84.4 121.7 -39.9 -18.9 -4.0 27 542 A V E -BC 12 35A 0 8,-2.8 8,-2.1 -2,-0.6 2,-0.4 -0.828 25.4-146.8-127.1 163.3 -41.7 -22.1 -2.8 28 543 A L E -BC 11 34A 36 -17,-2.4 -17,-2.3 -2,-0.3 6,-0.2 -0.995 13.1-146.0-133.5 128.3 -41.1 -25.2 -0.7 29 544 A N > - 0 0 17 4,-1.7 3,-1.7 -2,-0.4 -19,-0.1 -0.016 45.2 -81.6 -75.6-173.6 -42.5 -28.7 -1.2 30 545 A E T 3 S+ 0 0 95 -21,-0.4 -20,-0.1 1,-0.3 -1,-0.1 0.840 133.4 53.3 -61.5 -33.8 -43.5 -31.2 1.5 31 546 A K T 3 S- 0 0 165 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.381 118.2-114.6 -79.6 3.0 -39.8 -32.2 1.8 32 547 A K < + 0 0 146 -3,-1.7 2,-0.4 1,-0.2 -2,-0.1 0.872 64.7 150.4 62.6 40.4 -38.9 -28.5 2.3 33 548 A Q - 0 0 89 0, 0.0 -4,-1.7 0, 0.0 2,-0.5 -0.851 46.6-117.9-102.1 140.5 -36.9 -28.3 -1.0 34 549 A I E +C 28 0A 80 -2,-0.4 55,-0.5 -6,-0.2 2,-0.3 -0.673 41.3 158.7 -91.2 125.2 -36.8 -25.0 -2.7 35 550 A Y E -C 27 0A 40 -8,-2.1 -8,-2.8 -2,-0.5 2,-0.5 -0.814 37.9-118.0-127.8 171.4 -38.3 -24.5 -6.2 36 551 A A E -CD 26 87A 12 51,-2.8 51,-2.4 -2,-0.3 2,-0.5 -0.975 25.3-158.9-113.3 125.7 -39.6 -21.5 -8.2 37 552 A I E -CD 25 86A 0 -12,-1.6 -12,-1.3 -2,-0.5 2,-0.7 -0.930 0.3-158.9-112.7 122.9 -43.3 -21.5 -9.2 38 553 A K E -CD 24 85A 74 47,-2.3 47,-0.7 -2,-0.5 2,-0.4 -0.851 6.7-167.8-106.1 105.2 -44.5 -19.4 -12.1 39 554 A Y E -CD 23 84A 51 -16,-1.9 -16,-2.5 -2,-0.7 2,-0.4 -0.723 5.8-175.3 -87.7 138.8 -48.2 -18.6 -12.1 40 555 A V E - D 0 83A 13 43,-2.3 43,-2.2 -2,-0.4 2,-0.7 -0.994 20.8-135.0-133.6 140.5 -49.7 -17.1 -15.2 41 556 A N E + D 0 82A 56 -20,-0.4 3,-0.5 -2,-0.4 41,-0.3 -0.858 19.8 178.3 -98.1 110.7 -53.3 -15.9 -15.7 42 557 A L > + 0 0 14 39,-1.9 3,-2.3 -2,-0.7 40,-0.2 0.495 50.5 111.5 -85.2 -4.5 -54.8 -17.1 -19.0 43 558 A E T 3 S+ 0 0 125 38,-1.1 -1,-0.2 1,-0.3 39,-0.1 0.765 90.5 26.4 -41.6 -36.6 -58.2 -15.4 -18.3 44 559 A E T 3 S+ 0 0 188 -3,-0.5 2,-0.3 37,-0.1 -1,-0.3 -0.151 92.8 122.2-125.7 41.4 -57.6 -12.8 -21.0 45 560 A A < - 0 0 31 -3,-2.3 2,-0.1 4,-0.0 -3,-0.0 -0.757 44.7-146.6-103.8 149.7 -55.3 -14.6 -23.5 46 561 A D > - 0 0 77 -2,-0.3 4,-3.0 1,-0.0 5,-0.3 -0.406 34.7 -78.4-105.2-178.4 -56.1 -15.2 -27.2 47 562 A N H > S+ 0 0 143 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.917 125.2 32.1 -39.2 -70.8 -55.3 -17.9 -29.9 48 563 A Q H > S+ 0 0 152 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 118.2 54.7 -68.8 -38.0 -51.8 -17.1 -30.8 49 564 A T H >> S+ 0 0 11 2,-0.2 4,-1.6 1,-0.2 3,-0.6 0.967 113.6 41.6 -57.7 -55.3 -50.8 -15.8 -27.3 50 565 A L H 3X S+ 0 0 34 -4,-3.0 4,-2.4 1,-0.2 3,-0.4 0.934 113.5 54.1 -55.3 -46.8 -51.9 -19.0 -25.7 51 566 A D H 3X S+ 0 0 94 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.744 105.4 53.5 -65.9 -23.8 -50.3 -21.0 -28.5 52 567 A S H < S+ 0 0 122 -4,-1.8 3,-0.9 1,-0.2 4,-0.3 0.902 111.5 54.6 -74.1 -42.5 -38.1 -31.2 -24.4 63 578 A L H >X S+ 0 0 0 -4,-4.0 4,-0.9 1,-0.2 3,-0.9 0.624 86.7 85.8 -73.5 -13.7 -34.9 -29.2 -24.3 64 579 A Q G >< S+ 0 0 15 -4,-0.7 3,-1.0 -5,-0.4 -1,-0.2 0.950 89.6 48.9 -35.7 -60.1 -34.5 -30.3 -20.6 65 580 A Q G <4 S+ 0 0 149 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.607 104.6 57.2 -71.3 -15.5 -32.9 -33.5 -21.8 66 581 A H G <4 S+ 0 0 100 -3,-0.9 2,-0.3 -4,-0.3 -1,-0.2 0.681 116.3 9.8 -92.3 -18.7 -30.3 -32.0 -24.2 67 582 A S X< - 0 0 12 -3,-1.0 3,-0.7 -4,-0.9 -1,-0.2 -0.973 49.4-144.6-160.0 142.7 -28.5 -29.6 -21.8 68 583 A D T 3 S+ 0 0 84 -2,-0.3 4,-0.1 1,-0.2 -4,-0.1 0.297 94.5 79.6 -91.2 9.1 -28.2 -28.9 -18.1 69 584 A K T 3 S+ 0 0 18 2,-0.1 78,-2.3 77,-0.1 2,-0.4 0.162 77.3 87.8 -96.1 14.9 -27.8 -25.2 -18.9 70 585 A I B < S-f 147 0B 0 -3,-0.7 78,-0.2 76,-0.2 3,-0.0 -0.921 94.9-101.6-107.4 141.9 -31.6 -25.0 -19.4 71 586 A I - 0 0 8 76,-1.7 2,-0.4 -2,-0.4 -2,-0.1 -0.359 41.3-109.8 -65.2 134.3 -33.7 -24.2 -16.3 72 587 A R - 0 0 46 -4,-0.1 16,-3.0 1,-0.1 2,-0.8 -0.560 24.5-162.9 -69.9 121.7 -35.3 -27.4 -14.9 73 588 A L E +E 87 0A 3 -2,-0.4 14,-0.2 -13,-0.3 3,-0.1 -0.916 14.0 177.9 -97.4 99.5 -39.1 -27.5 -15.4 74 589 A Y E - 0 0 119 12,-1.1 2,-0.3 -2,-0.8 13,-0.2 0.909 58.6 -21.0 -74.9 -44.1 -39.9 -30.2 -12.9 75 590 A D E -E 86 0A 57 11,-1.3 11,-3.2 -3,-0.1 2,-0.3 -0.979 58.3-166.7-160.9 160.3 -43.7 -30.2 -13.2 76 591 A Y E -E 85 0A 64 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.969 9.6-159.2-158.9 144.3 -46.6 -28.1 -14.5 77 592 A E E -E 84 0A 47 7,-1.7 7,-3.0 -2,-0.3 2,-0.4 -0.982 17.1-178.3-123.9 130.5 -50.3 -27.9 -14.4 78 593 A I E +E 83 0A 75 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.993 6.3 167.0-138.4 130.9 -52.3 -25.9 -16.9 79 594 A T - 0 0 41 3,-2.4 -37,-0.0 -2,-0.4 -2,-0.0 -0.422 54.5 -85.0-119.1-165.2 -56.1 -25.2 -17.4 80 595 A D S S+ 0 0 142 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.691 126.3 38.7 -77.4 -19.0 -58.2 -22.8 -19.4 81 596 A Q S S- 0 0 83 1,-0.2 -39,-1.9 -39,-0.1 -38,-1.1 0.700 122.7 -0.1-105.2 -25.2 -57.8 -20.0 -16.8 82 597 A Y E -D 41 0A 60 -41,-0.3 -3,-2.4 -40,-0.2 2,-0.4 -0.931 50.9-132.5-155.4 173.9 -54.2 -20.3 -15.6 83 598 A I E -DE 40 78A 8 -43,-2.2 -43,-2.3 -2,-0.3 2,-0.4 -0.996 12.8-168.6-135.5 134.6 -50.8 -22.0 -15.7 84 599 A Y E -DE 39 77A 53 -7,-3.0 -7,-1.7 -2,-0.4 2,-0.4 -0.988 8.2-171.7-117.2 137.6 -48.6 -23.1 -12.8 85 600 A M E -DE 38 76A 12 -47,-0.7 -47,-2.3 -2,-0.4 2,-0.5 -0.982 14.2-153.0-132.9 121.5 -45.0 -24.1 -13.4 86 601 A V E +DE 37 75A 2 -11,-3.2 -11,-1.3 -2,-0.4 -12,-1.1 -0.833 34.5 170.2 -90.8 126.5 -42.7 -25.7 -10.9 87 602 A M E -DE 36 73A 21 -51,-2.4 -51,-2.8 -2,-0.5 -14,-0.2 -0.878 41.3 -77.2-139.7 162.4 -39.1 -24.8 -11.8 88 603 A E - 0 0 20 -16,-3.0 2,-0.6 -2,-0.3 -53,-0.1 -0.406 49.2-135.3 -57.8 130.4 -35.5 -24.8 -10.8 89 604 A C - 0 0 18 -55,-0.5 -1,-0.1 -2,-0.1 -55,-0.1 -0.850 23.2-161.9 -99.2 123.1 -35.0 -22.1 -8.4 90 605 A G - 0 0 14 -2,-0.6 51,-0.3 51,-0.1 3,-0.1 -0.139 24.8-122.8 -92.3-173.2 -31.9 -19.9 -8.9 91 606 A N S S- 0 0 97 49,-3.3 2,-0.3 1,-0.3 50,-0.1 0.874 83.0 -26.5 -94.1 -56.3 -29.9 -17.5 -6.8 92 607 A I E -G 140 0B 49 48,-0.8 48,-2.4 4,-0.0 -1,-0.3 -0.972 65.0-103.7-161.0 143.4 -30.1 -14.3 -8.9 93 608 A D E > -G 139 0B 47 -2,-0.3 4,-1.8 46,-0.2 46,-0.3 -0.371 37.7-115.3 -68.7 152.8 -30.6 -13.4 -12.6 94 609 A L H > S+ 0 0 0 44,-3.8 4,-2.5 41,-0.7 5,-0.2 0.906 109.6 59.1 -59.2 -45.6 -27.4 -12.3 -14.3 95 610 A N H > S+ 0 0 41 40,-0.3 4,-1.8 43,-0.3 -1,-0.2 0.900 109.0 43.5 -51.9 -50.0 -28.6 -8.7 -15.0 96 611 A S H > S+ 0 0 45 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 112.3 52.2 -61.3 -48.6 -29.1 -7.9 -11.3 97 612 A W H X S+ 0 0 50 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.849 108.7 51.3 -58.8 -38.3 -25.8 -9.6 -10.2 98 613 A L H < S+ 0 0 11 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.896 105.6 54.3 -65.6 -43.1 -23.8 -7.6 -12.8 99 614 A K H < S+ 0 0 142 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.893 114.2 43.3 -58.3 -40.1 -25.3 -4.3 -11.6 100 615 A K H < S+ 0 0 175 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.987 98.0 83.4 -65.4 -61.7 -24.1 -5.2 -8.1 101 616 A K < - 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