==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-MAR-12 4E9D . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PLK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.SLEDZ,M.HYVONEN,S.LANG,C.J.STUBBS,C.ABELL . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 64.8 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 . 62 27.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 16 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 20.0 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 0 0 1 0 0 0 1 0 0 0 0 0 0 2 0 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 . 3 1 0 3 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 373 A H > 0 0 116 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -12.5 -10.6 -9.8 5.4 2 374 A L T 4 + 0 0 10 1,-0.2 4,-0.5 2,-0.2 217,-0.1 0.795 360.0 45.1 -61.8 -30.2 -11.8 -6.8 3.3 3 375 A S T > S+ 0 0 68 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.771 107.9 56.3 -82.4 -32.4 -15.2 -7.4 4.9 4 376 A D H > S+ 0 0 78 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.830 99.3 62.1 -65.5 -33.3 -13.7 -7.8 8.4 5 377 A M H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.804 98.7 56.1 -62.7 -33.2 -12.1 -4.4 7.9 6 378 A L H > S+ 0 0 28 -4,-0.5 4,-1.0 -3,-0.3 -1,-0.2 0.894 105.2 51.1 -62.7 -42.8 -15.6 -2.9 7.7 7 379 A Q H X S+ 0 0 131 -4,-1.0 4,-0.9 1,-0.2 -2,-0.2 0.758 112.2 46.2 -69.9 -27.0 -16.6 -4.3 11.1 8 380 A Q H X S+ 0 0 41 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.842 113.7 47.5 -81.5 -38.5 -13.5 -2.9 12.8 9 381 A L H X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.565 107.9 58.2 -81.0 -12.0 -13.9 0.6 11.2 10 382 A H H X S+ 0 0 85 -4,-1.0 4,-1.9 2,-0.1 -1,-0.2 0.876 105.8 47.1 -78.6 -44.2 -17.6 0.7 12.1 11 383 A S H < S+ 0 0 58 -4,-0.9 4,-0.5 2,-0.2 -2,-0.2 0.872 112.2 48.7 -68.5 -40.3 -17.1 0.3 15.8 12 384 A V H < S+ 0 0 0 -4,-1.3 3,-0.3 1,-0.2 4,-0.3 0.867 115.4 43.9 -68.7 -38.2 -14.3 2.9 16.1 13 385 A N H >< S+ 0 0 29 -4,-0.7 3,-0.9 1,-0.2 -2,-0.2 0.816 107.2 59.0 -77.1 -32.7 -16.3 5.5 14.2 14 386 A A T 3< S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.614 103.8 54.0 -70.5 -13.5 -19.5 4.8 16.1 15 387 A S T 3 S- 0 0 36 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.569 104.7-136.5 -93.5 -13.3 -17.7 5.7 19.3 16 388 A K X - 0 0 121 -3,-0.9 3,-0.7 -4,-0.3 -3,-0.2 0.983 17.3-162.1 54.4 78.6 -16.7 9.1 17.8 17 389 A P T 3 S+ 0 0 5 0, 0.0 183,-1.0 0, 0.0 3,-0.2 0.628 83.5 49.1 -70.8 -16.5 -13.0 9.3 18.9 18 390 A S T 3 S+ 0 0 46 1,-0.2 2,-1.2 181,-0.2 184,-0.1 0.701 96.3 71.4 -92.6 -22.6 -12.6 13.0 18.4 19 391 A E S < S+ 0 0 145 -3,-0.7 2,-0.3 182,-0.1 -1,-0.2 -0.429 76.7 124.2 -93.5 61.0 -15.7 14.1 20.3 20 392 A R S S- 0 0 73 -2,-1.2 3,-0.2 -3,-0.2 -4,-0.0 -0.791 71.1-122.1-120.9 159.6 -14.4 13.2 23.8 21 393 A G S S+ 0 0 88 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.901 104.9 7.9 -63.0 -43.3 -13.9 15.0 27.1 22 394 A L S S- 0 0 118 176,-0.1 2,-0.4 -3,-0.0 -1,-0.3 -0.944 73.9-143.6-146.1 122.1 -10.2 14.2 27.0 23 395 A V + 0 0 60 -2,-0.3 176,-0.2 -3,-0.2 177,-0.1 -0.702 22.8 168.6 -87.6 129.6 -8.2 12.6 24.1 24 396 A R > + 0 0 142 174,-1.9 3,-0.7 -2,-0.4 4,-0.1 -0.531 13.6 151.1-139.8 69.8 -5.5 10.2 25.0 25 397 A Q G > + 0 0 35 1,-0.2 3,-1.1 2,-0.2 4,-0.1 0.668 66.4 72.7 -77.8 -16.3 -4.3 8.4 21.9 26 398 A E G > S+ 0 0 65 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.792 93.1 56.8 -64.7 -28.4 -0.7 7.9 23.3 27 399 A E G < S+ 0 0 125 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.524 98.2 61.8 -81.2 -7.9 -2.2 5.2 25.6 28 400 A A G < S+ 0 0 0 -3,-1.1 163,-1.6 171,-0.1 -1,-0.2 0.395 79.7 124.9 -95.4 0.1 -3.5 3.3 22.6 29 401 A E B < +A 190 0A 72 -3,-0.9 161,-0.2 161,-0.2 -3,-0.0 -0.237 31.0 173.1 -65.9 148.1 -0.0 2.7 21.2 30 402 A D > - 0 0 43 159,-2.6 3,-1.5 1,-0.0 4,-0.1 -0.593 9.1-177.3-157.8 86.2 1.3 -0.8 20.4 31 403 A P G > S+ 0 0 92 0, 0.0 3,-1.3 0, 0.0 159,-0.1 0.697 78.4 71.2 -60.6 -24.1 4.7 -0.9 18.6 32 404 A A G 3 S+ 0 0 78 1,-0.2 0, 0.0 157,-0.1 0, 0.0 0.450 88.3 65.5 -74.3 0.2 4.7 -4.7 18.3 33 405 A C G < + 0 0 3 -3,-1.5 -1,-0.2 156,-0.1 142,-0.1 0.428 67.0 136.5-101.6 -3.3 1.9 -4.5 15.7 34 406 A I < - 0 0 22 -3,-1.3 155,-0.0 -4,-0.1 145,-0.0 -0.166 60.7-108.9 -43.0 131.1 4.1 -2.7 13.1 35 407 A P - 0 0 3 0, 0.0 93,-1.7 0, 0.0 3,-0.1 -0.127 10.1-139.6 -63.6 163.2 3.4 -4.3 9.6 36 408 A I S S+ 0 0 54 1,-0.2 2,-0.3 91,-0.2 94,-0.1 0.836 86.1 31.2 -86.2 -40.7 5.8 -6.6 7.8 37 409 A F + 0 0 37 90,-0.1 2,-0.3 19,-0.1 -1,-0.2 -0.911 60.1 153.5-123.9 145.4 5.1 -5.1 4.4 38 410 A W - 0 0 13 -2,-0.3 18,-1.6 -3,-0.1 2,-0.7 -0.955 47.7 -95.4-156.2 163.9 4.0 -1.7 3.0 39 411 A V E +G 55 0B 0 -2,-0.3 16,-0.2 16,-0.2 3,-0.1 -0.756 36.3 173.7 -90.1 112.4 4.3 0.1 -0.3 40 412 A S E + 0 0 3 14,-2.2 81,-0.5 -2,-0.7 2,-0.3 0.783 67.0 18.2 -87.7 -31.8 7.3 2.5 -0.3 41 413 A K E -G 54 0B 17 13,-1.7 13,-3.0 79,-0.1 2,-0.3 -0.997 62.4-176.5-141.8 145.7 7.2 3.6 -3.9 42 414 A W E -G 53 0B 7 -2,-0.3 187,-2.4 11,-0.3 2,-0.4 -0.980 10.3-162.1-140.3 155.6 4.7 3.6 -6.8 43 415 A V E -GH 52 228B 3 9,-2.9 9,-2.4 -2,-0.3 2,-0.6 -0.951 12.7-148.6-138.4 114.9 4.6 4.5 -10.5 44 416 A D E + H 0 227B 4 183,-1.7 183,-1.1 -2,-0.4 7,-0.2 -0.733 40.6 139.2 -82.8 121.3 1.3 5.1 -12.5 45 417 A Y >>> + 0 0 25 -2,-0.6 4,-2.6 5,-0.4 3,-1.5 -0.012 20.9 131.2-146.3 37.1 1.6 4.1 -16.1 46 418 A S T 345 + 0 0 37 1,-0.3 5,-0.1 3,-0.2 -2,-0.0 0.559 60.9 74.2 -70.7 -13.7 -1.8 2.4 -16.5 47 419 A D T 345S- 0 0 96 3,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.567 125.6 -2.4 -73.9 -9.6 -2.5 4.4 -19.7 48 420 A K T <45S+ 0 0 143 -3,-1.5 -2,-0.2 2,-0.1 17,-0.1 0.475 142.7 7.9-143.5 -49.0 0.1 2.2 -21.5 49 421 A Y T <5S- 0 0 81 -4,-2.6 16,-1.3 1,-0.2 2,-0.3 0.835 94.0-100.1-111.3 -68.1 1.8 -0.4 -19.2 50 422 A G E < - I 0 64B 1 -5,-1.1 2,-0.4 14,-0.2 -5,-0.4 -0.896 44.8 -54.5 159.7 178.1 0.4 -0.7 -15.7 51 423 A L E - I 0 63B 1 12,-1.4 12,-3.8 -2,-0.3 2,-0.4 -0.748 47.8-163.7 -84.6 132.0 1.0 0.3 -12.1 52 424 A G E -GI 43 62B 0 -9,-2.4 -9,-2.9 -2,-0.4 2,-0.3 -0.910 9.6-176.2-113.0 145.4 4.4 -0.5 -10.7 53 425 A Y E -GI 42 61B 0 8,-3.9 8,-3.3 -2,-0.4 2,-0.4 -0.919 20.6-142.7-137.6 160.9 5.2 -0.6 -7.0 54 426 A Q E -GI 41 60B 12 -13,-3.0 -14,-2.2 -2,-0.3 -13,-1.7 -0.983 18.0-147.0-127.3 120.7 8.1 -1.1 -4.6 55 427 A L E > -G 39 0B 0 4,-2.4 3,-1.5 -2,-0.4 -16,-0.2 -0.368 34.7 -98.7 -78.5 164.9 7.7 -2.8 -1.3 56 428 A C T 3 S+ 0 0 9 -18,-1.6 -17,-0.1 1,-0.3 -1,-0.1 0.630 119.6 63.4 -62.5 -17.6 9.7 -1.9 1.9 57 429 A D T 3 S- 0 0 45 -19,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.113 121.7-103.0 -93.1 20.6 12.2 -4.7 1.4 58 430 A N S < S+ 0 0 104 -3,-1.5 -2,-0.1 1,-0.3 2,-0.1 0.402 77.9 142.6 71.0 -0.9 13.3 -3.2 -2.0 59 431 A S - 0 0 1 -5,-0.1 -4,-2.4 1,-0.0 2,-0.4 -0.449 41.8-143.1 -64.1 140.7 11.3 -5.8 -3.9 60 432 A V E -IJ 54 72B 5 12,-0.9 12,-2.5 -6,-0.2 2,-0.3 -0.925 18.3-176.4-116.2 133.0 9.6 -4.4 -7.0 61 433 A G E -I 53 0B 1 -8,-3.3 -8,-3.9 -2,-0.4 2,-0.3 -0.897 6.5-166.3-125.1 156.4 6.2 -5.3 -8.3 62 434 A V E -I 52 0B 0 8,-0.5 8,-1.6 -2,-0.3 2,-0.6 -0.988 9.0-155.4-145.5 131.8 4.2 -4.4 -11.4 63 435 A L E -IK 51 69B 17 -12,-3.8 -12,-1.4 -2,-0.3 6,-0.2 -0.941 22.4-144.6-109.2 114.5 0.5 -4.9 -12.2 64 436 A F E > -I 50 0B 13 4,-3.4 3,-1.4 -2,-0.6 -14,-0.2 -0.238 23.6-107.7 -79.0 165.3 -0.2 -5.0 -16.0 65 437 A N T 3 S+ 0 0 93 -16,-1.3 -15,-0.1 1,-0.3 -1,-0.1 0.708 117.0 59.6 -66.2 -23.2 -3.3 -3.7 -17.8 66 438 A D T 3 S- 0 0 92 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.107 124.2-101.1 -91.7 21.7 -4.6 -7.2 -18.5 67 439 A S S < S+ 0 0 68 -3,-1.4 2,-0.3 1,-0.2 -2,-0.2 0.735 82.7 131.1 66.1 27.6 -4.8 -7.9 -14.7 68 440 A T - 0 0 9 16,-0.1 -4,-3.4 -4,-0.1 2,-0.4 -0.869 40.0-156.4-110.7 145.6 -1.5 -9.9 -14.8 69 441 A R E -KL 63 82B 28 13,-2.8 13,-3.0 -2,-0.3 2,-0.4 -0.943 13.3-172.3-127.1 142.6 1.4 -9.4 -12.3 70 442 A L E - L 0 81B 0 -8,-1.6 -8,-0.5 -2,-0.4 2,-0.4 -0.947 12.7-166.0-133.9 114.5 5.1 -10.1 -12.4 71 443 A I E - L 0 80B 0 9,-3.3 9,-2.5 -2,-0.4 2,-0.4 -0.783 9.1-149.2-100.9 139.7 7.2 -9.6 -9.2 72 444 A L E -JL 60 79B 11 -12,-2.5 -12,-0.9 -2,-0.4 7,-0.2 -0.905 23.0-129.8-104.0 138.3 11.0 -9.5 -8.9 73 445 A Y > - 0 0 44 5,-2.8 3,-1.0 -2,-0.4 -13,-0.2 -0.160 24.6 -97.8 -83.8 176.6 12.5 -10.7 -5.7 74 446 A N T 3 S+ 0 0 107 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.658 117.1 61.3 -70.2 -20.9 15.1 -9.2 -3.3 75 447 A D T 3 S- 0 0 99 3,-0.1 -1,-0.2 1,-0.0 -16,-0.0 0.646 108.7-120.8 -79.9 -16.5 18.1 -11.1 -4.8 76 448 A G S < S+ 0 0 35 -3,-1.0 -2,-0.1 2,-0.2 3,-0.1 0.638 97.1 61.6 88.3 18.6 17.5 -9.4 -8.2 77 449 A D S S+ 0 0 51 1,-0.1 16,-1.8 16,-0.1 2,-0.4 0.541 71.0 94.5-141.5 -37.6 17.0 -12.7 -10.1 78 450 A S E - 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0 0 61 -2,-1.5 2,-0.7 -5,-0.1 -3,-0.1 -0.380 12.3-150.2 -71.3 119.5 15.4 -16.3 -19.8 97 469 A P >> - 0 0 27 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.802 7.3-156.7 -85.6 114.3 11.8 -17.3 -20.3 98 470 A N T 34 S+ 0 0 93 -2,-0.7 3,-0.4 1,-0.2 4,-0.3 0.763 86.1 61.0 -65.4 -30.0 10.9 -16.2 -23.9 99 471 A S T 34 S+ 0 0 118 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.749 115.4 32.6 -70.1 -26.0 7.1 -16.0 -23.3 100 472 A L T X> S+ 0 0 19 -3,-1.0 4,-1.7 1,-0.1 3,-1.0 0.355 84.2 111.2-109.2 1.8 7.5 -13.3 -20.6 101 473 A M H 3X S+ 0 0 79 -4,-0.5 4,-1.4 -3,-0.4 -2,-0.1 0.729 76.6 54.2 -55.3 -29.6 10.6 -11.6 -22.0 102 474 A K H 3> S+ 0 0 93 -4,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.889 109.9 46.8 -68.0 -41.6 8.6 -8.4 -22.9 103 475 A K H <> S+ 0 0 37 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.739 107.2 57.3 -76.1 -25.2 7.3 -8.1 -19.3 104 476 A I H X S+ 0 0 5 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.926 108.9 45.7 -66.5 -46.6 10.7 -8.6 -17.8 105 477 A T H X S+ 0 0 58 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.812 113.8 49.8 -67.1 -32.1 12.1 -5.7 -19.8 106 478 A L H X S+ 0 0 32 -4,-1.4 4,-1.4 2,-0.2 3,-0.3 0.873 108.2 52.4 -72.2 -40.4 9.0 -3.6 -18.8 107 479 A L H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.905 104.4 58.8 -57.4 -43.7 9.5 -4.5 -15.1 108 480 A K H X S+ 0 0 91 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.800 100.3 55.3 -59.6 -34.6 13.1 -3.3 -15.5 109 481 A Y H X S+ 0 0 131 -4,-0.9 4,-1.8 -3,-0.3 -1,-0.2 0.916 111.3 44.1 -62.9 -44.9 11.9 0.1 -16.5 110 482 A F H X S+ 0 0 8 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.923 114.8 49.5 -63.2 -44.9 9.9 0.4 -13.3 111 483 A R H X S+ 0 0 103 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.890 113.6 44.3 -64.0 -45.5 12.7 -1.0 -11.2 112 484 A N H X S+ 0 0 74 -4,-2.5 4,-1.6 1,-0.2 5,-0.2 0.932 111.4 55.0 -62.3 -46.8 15.4 1.3 -12.6 113 485 A Y H X S+ 0 0 49 -4,-1.8 4,-2.4 -5,-0.2 5,-0.5 0.825 109.3 45.8 -58.1 -39.1 13.1 4.3 -12.3 114 486 A M H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.870 112.3 48.9 -77.0 -38.3 12.3 3.9 -8.6 115 487 A S H < S+ 0 0 83 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.771 122.6 34.9 -68.2 -29.0 15.9 3.2 -7.5 116 488 A E H < S+ 0 0 119 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.863 130.5 19.9 -94.0 -42.4 17.1 6.3 -9.4 117 489 A H H < S+ 0 0 115 -4,-2.4 2,-0.2 -5,-0.2 -3,-0.2 0.611 101.5 78.9-113.6 -16.6 14.4 9.0 -9.2 118 490 A L < - 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