==== 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 2ZMD . 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 . 259 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 66.0 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 . 42 16.2 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 . 3 1.2 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 . 23 8.9 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 . 77 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 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 2 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 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 1 516 A E 0 0 188 0, 0.0 10,-0.2 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 139.4 -48.9 -21.5 1.5 2 517 A C + 0 0 73 8,-0.5 2,-0.3 1,-0.1 9,-0.2 0.533 360.0 119.1-163.2 144.2 -50.2 -22.7 -0.9 3 518 A I E -A 10 0A 9 7,-3.2 7,-3.4 2,-0.0 2,-0.4 -0.938 27.5-155.6-126.1 152.5 -50.1 -24.1 -4.4 4 519 A S E +A 9 0A 61 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.923 11.8 178.7-132.9 107.6 -51.1 -27.5 -5.8 5 520 A V E > S-A 8 0A 0 3,-2.0 3,-0.8 -2,-0.4 -2,-0.0 -0.921 74.0 -25.4-113.7 109.5 -49.6 -28.8 -9.0 6 521 A K T 3 S- 0 0 112 -2,-0.6 2,-2.0 1,-0.3 -1,-0.2 0.974 124.9 -48.0 52.0 64.7 -50.7 -32.3 -10.1 7 522 A G T 3 S+ 0 0 66 -3,-0.2 -1,-0.3 1,-0.1 2,-0.0 -0.350 115.3 109.2 80.5 -56.8 -51.6 -33.6 -6.6 8 523 A R E < -A 5 0A 153 -2,-2.0 -3,-2.0 -3,-0.8 2,-0.3 -0.250 62.3-138.1 -65.2 134.6 -48.4 -32.4 -5.0 9 524 A I E -A 4 0A 103 -5,-0.2 21,-0.4 -3,-0.1 2,-0.4 -0.744 16.9-169.4 -98.2 138.4 -48.7 -29.4 -2.6 10 525 A Y E -A 3 0A 10 -7,-3.4 -7,-3.2 -2,-0.3 -8,-0.5 -0.993 14.1-141.1-131.3 130.3 -46.1 -26.5 -2.5 11 526 A S E -B 28 0B 36 17,-2.6 17,-1.9 -2,-0.4 2,-0.9 -0.774 23.7-122.2 -94.4 133.5 -45.9 -23.8 0.2 12 527 A I E +B 27 0B 52 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.628 28.0 178.5 -82.8 104.4 -45.0 -20.3 -1.1 13 528 A L E - 0 0 90 13,-1.5 2,-0.3 -2,-0.9 14,-0.2 0.962 66.3 -43.9 -64.4 -55.1 -41.9 -18.9 0.6 14 529 A K E -B 26 0B 121 12,-1.5 12,-3.2 0, 0.0 2,-0.7 -0.973 59.9 -87.5-165.2 173.8 -42.0 -15.6 -1.4 15 530 A Q E +B 25 0B 76 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.840 32.4 177.7 -96.4 113.0 -42.6 -14.1 -4.8 16 531 A I E S+ 0 0 87 8,-1.6 2,-0.3 -2,-0.7 9,-0.2 0.950 71.0 23.8 -72.4 -55.1 -39.4 -13.9 -6.9 17 532 A G E -B 24 0B 22 7,-1.8 7,-1.2 2,-0.0 2,-0.2 -0.850 69.0-159.6-119.9 151.2 -41.0 -12.5 -10.1 18 533 A S + 0 0 98 -2,-0.3 2,-0.3 5,-0.2 5,-0.1 -0.776 28.5 45.6-127.1 169.4 -44.1 -10.4 -10.7 19 534 A G + 0 0 37 -2,-0.2 4,-0.1 2,-0.0 21,-0.0 -0.949 53.2 56.4 178.3-167.8 -46.4 -9.6 -13.6 20 535 A G S S- 0 0 45 -2,-0.3 20,-0.1 136,-0.1 -2,-0.0 -0.786 116.5 -58.1 158.9 -52.3 -48.1 -9.8 -15.9 21 536 A S S S+ 0 0 52 18,-0.1 20,-1.9 -2,-0.0 2,-0.4 -0.015 122.2 102.4 -87.1 97.5 -50.1 -11.8 -15.2 22 537 A S E - C 0 40B 33 18,-0.2 2,-0.5 2,-0.0 18,-0.2 -0.936 45.1-177.5-144.2 111.7 -47.1 -14.0 -14.6 23 538 A K E - C 0 39B 68 16,-2.6 16,-2.7 -2,-0.4 2,-0.6 -0.960 12.6-159.0-122.6 120.8 -45.9 -14.6 -11.1 24 539 A V E -BC 17 38B 44 -7,-1.2 -7,-1.8 -2,-0.5 -8,-1.6 -0.874 17.0-166.0 -96.7 119.6 -42.8 -16.7 -10.2 25 540 A F E -BC 15 37B 26 12,-2.9 12,-2.6 -2,-0.6 2,-0.5 -0.894 21.1-134.7-109.5 136.1 -42.9 -18.0 -6.6 26 541 A Q E +BC 14 36B 41 -12,-3.2 -13,-1.5 -2,-0.4 -12,-1.5 -0.789 45.5 171.6 -78.5 126.2 -40.1 -19.4 -4.6 27 542 A V E -BC 12 35B 0 8,-2.6 8,-2.4 -2,-0.5 2,-0.4 -0.876 32.1-135.8-140.3 170.0 -41.7 -22.5 -3.0 28 543 A L E -BC 11 34B 29 -17,-1.9 -17,-2.6 -2,-0.3 6,-0.2 -0.995 17.7-141.2-131.6 133.2 -41.1 -25.7 -1.0 29 544 A N > - 0 0 25 4,-1.8 3,-2.5 -2,-0.4 -19,-0.2 -0.152 46.3 -78.5 -80.7-178.6 -42.5 -29.2 -1.5 30 545 A E T 3 S+ 0 0 156 -21,-0.4 -20,-0.1 1,-0.3 -1,-0.1 0.746 135.0 46.5 -54.1 -28.9 -43.7 -31.7 1.1 31 546 A K T 3 S- 0 0 156 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.054 119.1-110.3-102.0 23.0 -40.1 -32.6 1.9 32 547 A K < + 0 0 170 -3,-2.5 2,-0.3 1,-0.2 -2,-0.1 0.793 65.0 151.1 51.6 37.8 -39.0 -29.0 2.0 33 548 A Q - 0 0 99 1,-0.0 -4,-1.8 0, 0.0 2,-0.4 -0.765 47.7-113.7 -89.8 145.7 -36.9 -29.0 -1.2 34 549 A I E +C 28 0B 87 -2,-0.3 55,-0.5 -6,-0.2 2,-0.3 -0.697 44.5 156.6 -95.1 128.4 -36.8 -25.7 -3.0 35 550 A Y E -CD 27 88B 36 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.4 -0.810 36.1-120.8-131.5 171.5 -38.4 -25.1 -6.4 36 551 A A E -CD 26 87B 8 51,-3.2 51,-3.8 -2,-0.3 2,-0.5 -0.946 20.1-159.9-112.2 141.9 -39.7 -22.2 -8.4 37 552 A I E -CD 25 86B 0 -12,-2.6 -12,-2.9 -2,-0.4 2,-0.5 -0.965 2.6-157.9-123.6 113.9 -43.3 -22.1 -9.6 38 553 A K E -CD 24 85B 63 47,-1.6 47,-1.6 -2,-0.5 2,-0.5 -0.794 11.0-163.1 -84.9 125.3 -44.3 -19.9 -12.5 39 554 A Y E -CD 23 84B 49 -16,-2.7 -16,-2.6 -2,-0.5 2,-0.4 -0.965 6.9-174.4-112.3 126.5 -48.0 -19.0 -12.5 40 555 A V E -CD 22 83B 6 43,-1.9 43,-1.8 -2,-0.5 2,-0.6 -0.957 18.9-140.4-117.8 137.9 -49.6 -17.7 -15.6 41 556 A N E - D 0 82B 47 -20,-1.9 3,-0.4 -2,-0.4 41,-0.3 -0.892 15.5-176.2 -97.0 117.5 -53.2 -16.5 -15.9 42 557 A L > + 0 0 10 39,-2.7 3,-1.6 -2,-0.6 40,-0.2 0.441 53.7 106.7 -90.3 -0.8 -54.8 -17.6 -19.2 43 558 A E T 3 S+ 0 0 135 38,-0.8 -1,-0.2 1,-0.3 39,-0.1 0.578 93.2 27.4 -62.3 -11.8 -58.1 -15.8 -18.7 44 559 A E T 3 S+ 0 0 197 -3,-0.4 2,-0.4 37,-0.1 -1,-0.3 0.266 91.1 118.3-129.2 10.9 -57.2 -13.1 -21.3 45 560 A A < - 0 0 24 -3,-1.6 2,-0.1 4,-0.1 -3,-0.0 -0.643 53.2-145.0 -79.4 131.1 -54.8 -15.0 -23.6 46 561 A D > - 0 0 90 -2,-0.4 4,-2.7 1,-0.0 5,-0.2 -0.198 34.6 -87.9 -82.0-177.1 -56.0 -15.3 -27.2 47 562 A N H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.799 125.7 48.2 -70.4 -32.4 -55.3 -18.4 -29.4 48 563 A Q H > S+ 0 0 163 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.945 114.0 47.9 -69.3 -48.4 -51.9 -17.3 -30.7 49 564 A T H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.944 113.5 47.4 -53.2 -54.4 -50.7 -16.4 -27.2 50 565 A L H X S+ 0 0 29 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.948 112.7 49.3 -53.6 -50.9 -52.0 -19.7 -25.9 51 566 A D H X S+ 0 0 94 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.878 110.2 50.5 -59.8 -39.7 -50.3 -21.6 -28.7 52 567 A S H X S+ 0 0 20 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.858 111.2 49.0 -65.4 -36.5 -47.0 -19.7 -28.2 53 568 A Y H X S+ 0 0 31 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.935 113.7 46.6 -65.7 -47.3 -47.2 -20.6 -24.5 54 569 A R H X S+ 0 0 114 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.900 110.8 53.3 -58.7 -44.8 -47.9 -24.3 -25.4 55 570 A N H X S+ 0 0 66 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.936 110.9 44.2 -59.8 -50.0 -45.1 -24.2 -28.0 56 571 A E H X S+ 0 0 21 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.885 111.4 53.7 -64.0 -40.6 -42.4 -23.0 -25.6 57 572 A I H X S+ 0 0 15 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.904 108.3 52.0 -59.9 -41.1 -43.5 -25.4 -22.8 58 573 A A H X S+ 0 0 55 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.933 113.1 42.8 -59.4 -50.2 -43.2 -28.3 -25.3 59 574 A Y H X S+ 0 0 74 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.928 111.6 52.8 -65.8 -47.8 -39.6 -27.4 -26.3 60 575 A L H X S+ 0 0 12 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.901 110.6 50.0 -55.0 -41.3 -38.4 -26.6 -22.8 61 576 A N H < S+ 0 0 69 -4,-2.0 3,-0.5 -5,-0.2 4,-0.3 0.910 115.4 42.3 -62.7 -43.7 -39.7 -30.1 -21.8 62 577 A K H >< S+ 0 0 130 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.944 109.7 54.5 -68.4 -49.8 -37.9 -31.7 -24.7 63 578 A L H 3X S+ 0 0 0 -4,-3.3 4,-0.9 1,-0.3 3,-0.3 0.478 83.7 91.2 -71.6 -2.6 -34.6 -29.9 -24.5 64 579 A Q T >< S+ 0 0 19 -4,-0.5 3,-0.7 -3,-0.5 -1,-0.3 0.930 87.9 47.1 -46.4 -53.0 -34.3 -30.9 -20.8 65 580 A Q T <4 S+ 0 0 179 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.730 105.5 59.9 -66.9 -26.2 -32.4 -34.0 -21.8 66 581 A H T 34 S+ 0 0 98 -4,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.681 114.4 6.6 -86.0 -20.1 -30.0 -32.2 -24.2 67 582 A S X< - 0 0 10 -4,-0.9 3,-0.6 -3,-0.7 -1,-0.2 -0.961 43.5-148.1-162.0 146.2 -28.4 -29.8 -21.7 68 583 A D T 3 S+ 0 0 94 -2,-0.3 4,-0.1 1,-0.2 -4,-0.1 0.235 97.7 73.3 -96.4 11.3 -28.1 -28.9 -18.0 69 584 A K T 3 S+ 0 0 16 2,-0.1 78,-2.6 77,-0.1 2,-0.5 0.226 82.4 83.4 -99.4 7.4 -27.6 -25.2 -19.0 70 585 A I B < S-f 147 0C 1 -3,-0.6 78,-0.1 76,-0.2 -3,-0.1 -0.972 101.2-102.1-105.8 126.5 -31.3 -25.2 -19.9 71 586 A I - 0 0 7 76,-1.7 2,-0.2 -2,-0.5 -2,-0.1 -0.152 39.4-110.3 -54.5 132.7 -33.3 -24.6 -16.7 72 587 A R - 0 0 99 -4,-0.1 16,-2.4 17,-0.0 2,-0.5 -0.441 26.2-164.1 -69.4 133.7 -34.9 -27.8 -15.3 73 588 A L E -E 87 0B 7 14,-0.2 14,-0.2 -13,-0.2 3,-0.1 -0.973 8.5-179.9-118.1 112.0 -38.7 -28.2 -15.6 74 589 A Y E - 0 0 101 12,-1.9 2,-0.3 -2,-0.5 13,-0.2 0.791 59.4 -24.9 -87.2 -32.5 -39.8 -30.9 -13.2 75 590 A D E -E 86 0B 37 11,-1.2 11,-2.2 2,-0.0 2,-0.3 -0.946 57.0-158.8-174.0 156.1 -43.6 -31.0 -13.7 76 591 A Y E -E 85 0B 58 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.986 10.1-152.0-154.1 147.4 -46.4 -28.8 -14.8 77 592 A E E -E 84 0B 41 7,-2.3 7,-3.2 -2,-0.3 2,-0.4 -0.955 20.5-179.1-116.4 137.1 -50.2 -28.4 -14.6 78 593 A I E +E 83 0B 74 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.951 9.2 157.0-147.6 115.9 -52.1 -26.6 -17.3 79 594 A T - 0 0 44 3,-2.2 -2,-0.0 -2,-0.4 -37,-0.0 -0.399 57.7 -88.2-117.6-165.0 -55.8 -25.8 -17.7 80 595 A D S S+ 0 0 128 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.678 125.1 42.7 -80.1 -20.2 -57.9 -23.3 -19.7 81 596 A Q S S- 0 0 101 1,-0.2 -39,-2.7 -40,-0.1 -38,-0.8 0.786 122.4 -4.2 -96.8 -31.1 -57.6 -20.8 -16.8 82 597 A Y E -D 41 0B 61 -41,-0.3 -3,-2.2 -40,-0.2 2,-0.3 -0.910 50.4-131.6-152.8 171.9 -54.0 -21.1 -15.7 83 598 A I E -DE 40 78B 3 -43,-1.8 -43,-1.9 -2,-0.3 2,-0.4 -0.997 14.0-169.6-132.7 139.2 -50.5 -22.7 -16.0 84 599 A Y E -DE 39 77B 49 -7,-3.2 -7,-2.3 -2,-0.3 2,-0.5 -0.999 5.6-172.9-125.6 129.8 -48.3 -23.9 -13.1 85 600 A M E -DE 38 76B 13 -47,-1.6 -47,-1.6 -2,-0.4 2,-0.6 -0.930 14.2-151.3-130.2 107.8 -44.7 -24.9 -13.8 86 601 A V E +DE 37 75B 0 -11,-2.2 -12,-1.9 -2,-0.5 -11,-1.2 -0.681 34.8 172.3 -77.7 119.7 -42.6 -26.5 -11.1 87 602 A M E -DE 36 73B 22 -51,-3.8 -51,-3.2 -2,-0.6 -14,-0.2 -0.867 40.4 -83.1-132.9 158.7 -39.0 -25.5 -11.9 88 603 A E E -D 35 0B 21 -16,-2.4 2,-0.3 -2,-0.3 -53,-0.2 -0.347 52.4-126.0 -50.3 134.4 -35.4 -25.5 -10.7 89 604 A C - 0 0 19 -55,-0.5 2,-0.3 -62,-0.0 -1,-0.1 -0.756 25.3-154.8 -97.9 140.7 -34.9 -22.6 -8.4 90 605 A G - 0 0 18 -2,-0.3 51,-0.2 1,-0.1 3,-0.1 -0.745 20.9-134.2-120.0 160.9 -32.1 -20.0 -8.9 91 606 A N S S- 0 0 113 49,-2.6 2,-0.3 1,-0.3 50,-0.1 0.975 80.2 -26.5 -75.7 -57.6 -30.0 -17.6 -6.9 92 607 A I E -G 140 0C 51 48,-0.8 48,-3.0 4,-0.0 -1,-0.3 -0.982 62.6-105.4-155.3 152.8 -30.2 -14.4 -9.1 93 608 A D E > -G 139 0C 41 -2,-0.3 4,-1.9 46,-0.2 46,-0.3 -0.514 37.6-114.5 -78.1 156.5 -30.8 -13.5 -12.8 94 609 A L H > S+ 0 0 0 44,-2.8 4,-3.1 41,-0.7 5,-0.2 0.861 111.7 55.6 -64.2 -37.1 -27.6 -12.3 -14.6 95 610 A N H > S+ 0 0 58 40,-0.4 4,-2.4 43,-0.3 -1,-0.2 0.905 110.1 45.2 -64.1 -42.3 -28.8 -8.7 -15.2 96 611 A S H > S+ 0 0 49 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.881 114.8 49.5 -65.9 -39.7 -29.4 -8.1 -11.5 97 612 A W H X S+ 0 0 44 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.953 112.4 45.8 -64.1 -53.6 -26.1 -9.8 -10.6 98 613 A L H < S+ 0 0 10 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.946 110.8 54.1 -53.9 -52.8 -24.1 -7.7 -13.2 99 614 A K H < S+ 0 0 156 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.901 116.1 38.6 -48.2 -47.9 -25.8 -4.5 -12.0 100 615 A K H < S+ 0 0 185 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.872 99.6 87.5 -74.9 -38.2 -24.8 -5.2 -8.4 101 616 A K < - 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