==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-SEP-12 4HAB . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PLK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.C.LEE,J.H.SONG,H.Y.KIM . 646 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 69.8 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 . 172 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 15 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 49 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 0 0 0 1 0 0 1 1 0 3 2 1 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 . 5 1 1 8 17 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 4 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 1 371 A D > 0 0 103 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -39.0 10.9 3.4 24.8 2 372 A C H > + 0 0 92 2,-0.2 4,-0.9 1,-0.2 0, 0.0 0.805 360.0 46.9 -77.1 -30.7 8.3 1.4 23.0 3 373 A H H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.785 102.5 60.7 -80.2 -30.6 9.5 -1.5 25.1 4 374 A L H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.836 105.0 51.1 -65.6 -31.5 9.5 0.4 28.4 5 375 A S H X S+ 0 0 48 -4,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.852 107.4 52.5 -72.6 -36.0 5.8 0.9 27.9 6 376 A D H X S+ 0 0 61 -4,-0.9 4,-3.0 2,-0.2 -2,-0.2 0.976 113.2 44.0 -63.0 -50.5 5.3 -2.8 27.4 7 377 A M H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.980 112.1 52.6 -53.4 -61.7 7.2 -3.5 30.6 8 378 A L H X S+ 0 0 11 -4,-2.9 4,-3.0 1,-0.3 -1,-0.2 0.847 111.6 46.5 -41.1 -49.2 5.2 -0.7 32.4 9 379 A Q H X S+ 0 0 125 -4,-2.7 4,-3.0 2,-0.2 -1,-0.3 0.934 113.0 50.1 -60.9 -46.9 2.0 -2.3 31.2 10 380 A Q H X S+ 0 0 38 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.920 114.7 43.1 -59.2 -45.3 3.2 -5.7 32.3 11 381 A L H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 5,-0.4 0.894 111.6 53.6 -69.3 -40.1 4.2 -4.5 35.7 12 382 A H H X S+ 0 0 22 -4,-3.0 4,-2.8 -5,-0.3 -2,-0.2 0.954 110.7 50.1 -57.3 -46.7 1.0 -2.4 36.1 13 383 A S H X S+ 0 0 51 -4,-3.0 4,-0.8 -5,-0.2 -2,-0.2 0.917 115.4 38.3 -59.1 -48.7 -0.8 -5.6 35.3 14 384 A V H < S+ 0 0 0 -4,-2.2 3,-0.3 2,-0.2 -1,-0.2 0.892 119.2 47.1 -73.8 -37.6 1.0 -7.9 37.8 15 385 A N H >< S+ 0 0 22 -4,-3.0 3,-2.4 1,-0.2 -2,-0.2 0.938 106.2 59.1 -66.6 -45.2 1.2 -5.3 40.6 16 386 A A H 3< S+ 0 0 28 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.2 0.770 100.4 57.6 -53.9 -29.4 -2.5 -4.3 40.2 17 387 A S T 3< S- 0 0 29 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.464 103.7-131.3 -84.1 -0.1 -3.4 -7.9 41.0 18 388 A K X - 0 0 85 -3,-2.4 3,-2.2 -4,-0.2 -3,-0.1 0.953 23.8-165.2 46.3 66.0 -1.7 -7.9 44.4 19 389 A P G > S+ 0 0 3 0, 0.0 3,-0.8 0, 0.0 183,-0.7 0.728 81.1 56.9 -49.8 -33.4 0.2 -11.2 43.8 20 390 A S G 3 S+ 0 0 27 1,-0.2 184,-0.1 181,-0.2 -2,-0.1 0.431 94.2 70.1 -85.0 3.6 1.1 -11.6 47.5 21 391 A E G < + 0 0 135 -3,-2.2 -1,-0.2 -4,-0.2 -3,-0.1 0.301 66.5 126.4-101.8 7.0 -2.5 -11.5 48.6 22 392 A R S < S- 0 0 68 -3,-0.8 3,-0.2 180,-0.2 178,-0.0 -0.287 71.7-120.3 -63.8 151.5 -3.7 -14.8 47.2 23 393 A G S S+ 0 0 95 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.918 105.2 14.3 -57.6 -40.7 -5.4 -17.2 49.6 24 394 A L S S- 0 0 126 176,-0.0 2,-0.5 2,-0.0 -1,-0.3 -1.000 78.7-142.3-136.2 132.6 -2.6 -19.6 48.7 25 395 A V + 0 0 55 -2,-0.4 176,-0.2 -3,-0.2 3,-0.1 -0.842 17.5 177.9 -98.5 132.5 0.7 -18.7 47.0 26 396 A R > + 0 0 116 174,-1.7 3,-2.4 -2,-0.5 4,-0.4 -0.492 12.2 163.5-128.7 58.0 2.0 -21.2 44.5 27 397 A Q G >> + 0 0 35 1,-0.3 3,-2.8 2,-0.2 4,-0.5 0.837 68.7 64.5 -47.9 -44.6 5.0 -19.4 43.2 28 398 A E G >4 S+ 0 0 144 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.745 94.1 65.3 -55.3 -20.3 6.7 -22.5 41.7 29 399 A E G <4 S+ 0 0 71 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.707 94.0 57.8 -75.0 -19.4 3.7 -22.6 39.4 30 400 A A G <4 S+ 0 0 0 -3,-2.8 163,-1.9 -4,-0.4 -1,-0.2 0.593 82.0 114.9 -85.6 -11.6 4.7 -19.2 37.8 31 401 A E B << +A 192 0A 55 -3,-0.6 161,-0.2 -4,-0.5 159,-0.0 -0.214 36.9 175.0 -61.0 147.9 8.1 -20.6 36.7 32 402 A D > - 0 0 35 159,-2.0 3,-1.9 1,-0.0 4,-0.1 -0.634 14.0-172.4-158.2 89.4 8.9 -20.9 33.0 33 403 A P G > S+ 0 0 92 0, 0.0 3,-1.3 0, 0.0 159,-0.1 0.668 82.3 74.0 -59.4 -19.1 12.5 -22.0 32.1 34 404 A A G 3 S+ 0 0 71 1,-0.2 96,-0.0 157,-0.1 0, 0.0 0.478 94.4 56.8 -74.0 0.5 11.8 -21.3 28.4 35 405 A C G < S+ 0 0 9 -3,-1.9 -1,-0.2 156,-0.1 144,-0.1 0.394 70.2 137.8-109.4 -3.0 12.0 -17.6 29.4 36 406 A I < - 0 0 29 -3,-1.3 94,-0.5 -4,-0.1 96,-0.2 -0.185 61.6-104.4 -48.6 131.6 15.5 -17.6 30.9 37 407 A P - 0 0 9 0, 0.0 93,-1.0 0, 0.0 3,-0.1 -0.064 16.6-148.7 -55.9 158.5 17.3 -14.4 29.7 38 408 A I S S+ 0 0 15 1,-0.3 2,-0.3 91,-0.2 -2,-0.0 0.859 81.5 17.0 -92.4 -55.2 20.0 -14.5 27.0 39 409 A F + 0 0 14 19,-0.1 -1,-0.3 18,-0.1 2,-0.3 -0.897 63.1 154.8-122.3 151.4 22.0 -11.6 28.3 40 410 A W - 0 0 6 -2,-0.3 18,-2.2 -3,-0.1 2,-0.7 -0.926 51.5 -84.6-157.5 168.5 22.2 -9.7 31.6 41 411 A V E -G 57 0B 0 -2,-0.3 16,-0.2 16,-0.2 3,-0.1 -0.742 36.1-178.6 -87.1 113.9 24.9 -7.6 33.3 42 412 A S E - 0 0 2 14,-1.8 81,-2.7 -2,-0.7 2,-0.3 0.753 67.7 -4.6 -84.9 -24.3 27.2 -9.9 35.3 43 413 A K E -G 56 0B 18 13,-1.4 13,-3.2 79,-0.2 2,-0.3 -0.961 62.4-171.8-167.3 149.4 29.4 -7.1 36.7 44 414 A W E -G 55 0B 2 -2,-0.3 598,-2.6 11,-0.3 2,-0.3 -0.956 8.9-160.1-146.0 162.7 29.9 -3.3 36.5 45 415 A V E -GH 54 641B 6 9,-3.0 9,-2.2 -2,-0.3 2,-0.6 -0.990 18.4-133.1-141.9 146.9 32.1 -0.4 37.5 46 416 A D E +G 53 0B 14 594,-2.6 7,-0.2 -2,-0.3 -2,-0.0 -0.888 40.5 144.5-116.8 115.0 31.5 3.3 37.8 47 417 A Y >> + 0 0 54 5,-2.1 4,-3.4 -2,-0.6 3,-0.8 -0.113 28.8 132.4-125.1 28.4 33.7 6.1 36.4 48 418 A S T 34 + 0 0 47 1,-0.3 5,-0.1 3,-0.2 -1,-0.1 0.528 68.1 72.2 -60.3 0.7 30.8 8.3 35.4 49 419 A D T 34 S- 0 0 126 3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.952 122.0 -2.1 -79.2 -55.1 33.1 10.7 37.2 50 420 A K T <4 S- 0 0 139 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.0 0.460 145.0 -6.3-117.7 -5.1 35.9 11.0 34.6 51 421 A Y S < S- 0 0 110 -4,-3.4 16,-2.7 1,-0.1 17,-0.3 0.315 95.8 -90.5-150.9 -66.5 34.8 8.6 31.8 52 422 A G E - I 0 66B 0 -5,-0.5 -5,-2.1 14,-0.3 2,-0.5 -0.996 48.9 -41.3 167.0-168.7 31.8 6.4 32.3 53 423 A L E -GI 46 65B 0 12,-2.0 12,-2.6 -2,-0.3 2,-0.4 -0.789 44.5-163.0 -94.3 121.2 30.1 3.2 33.3 54 424 A G E +GI 45 64B 0 -9,-2.2 -9,-3.0 -2,-0.5 2,-0.3 -0.880 16.8 169.7-104.0 137.8 32.0 -0.0 32.4 55 425 A Y E -GI 44 63B 2 8,-3.0 8,-3.5 -2,-0.4 2,-0.4 -0.985 27.6-139.3-147.7 156.6 30.2 -3.4 32.5 56 426 A Q E -GI 43 62B 22 -13,-3.2 -14,-1.8 -2,-0.3 -13,-1.4 -0.934 19.5-141.4-116.5 137.5 30.5 -7.0 31.5 57 427 A L E > -G 41 0B 2 4,-2.3 3,-1.7 -2,-0.4 -16,-0.2 -0.543 33.5 -99.4 -91.3 166.1 27.6 -9.1 30.1 58 428 A C T 3 S+ 0 0 10 -18,-2.2 -17,-0.1 1,-0.3 -19,-0.1 0.815 120.9 61.1 -54.3 -34.3 26.9 -12.7 31.0 59 429 A D T 3 S- 0 0 44 -19,-0.2 -1,-0.3 1,-0.1 17,-0.2 0.147 121.3-105.2 -81.4 20.7 28.7 -14.0 27.8 60 430 A N S < S+ 0 0 88 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.407 77.3 135.2 71.9 1.6 31.9 -12.3 29.0 61 431 A S - 0 0 2 15,-0.1 -4,-2.3 -5,-0.0 2,-0.4 -0.396 46.0-139.3 -74.1 159.5 31.8 -9.4 26.5 62 432 A V E -IJ 56 74B 8 12,-2.3 12,-3.1 -6,-0.2 2,-0.3 -0.962 20.4-177.9-124.6 141.0 32.6 -6.0 28.0 63 433 A G E -IJ 55 73B 1 -8,-3.5 -8,-3.0 -2,-0.4 2,-0.4 -0.947 11.0-155.9-136.7 158.3 30.9 -2.7 27.3 64 434 A V E -IJ 54 72B 2 8,-1.2 8,-1.4 -2,-0.3 2,-0.6 -0.998 7.1-159.7-136.8 137.1 31.2 1.0 28.2 65 435 A L E -IJ 53 71B 15 -12,-2.6 -12,-2.0 -2,-0.4 6,-0.2 -0.943 23.6-153.0-114.2 106.0 28.8 3.8 28.2 66 436 A F E > -I 52 0B 7 4,-2.9 3,-1.8 -2,-0.6 4,-0.3 -0.524 25.6-115.9 -81.2 149.5 30.7 7.1 28.2 67 437 A N T 3 S+ 0 0 88 -16,-2.7 -15,-0.1 1,-0.3 -1,-0.1 0.744 114.3 67.9 -54.1 -23.6 29.4 10.3 29.7 68 438 A D T 3 S- 0 0 72 -17,-0.3 -1,-0.3 2,-0.1 18,-0.2 0.152 120.6-106.0 -85.4 20.6 29.5 11.7 26.1 69 439 A S S < S+ 0 0 65 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.578 80.6 123.6 67.4 16.1 26.7 9.3 25.1 70 440 A T - 0 0 0 -4,-0.3 -4,-2.9 15,-0.1 2,-0.4 -0.803 45.4-151.5-108.8 150.8 28.9 6.9 23.1 71 441 A R E -JK 65 84B 34 13,-2.2 13,-3.2 -2,-0.3 2,-0.5 -0.962 6.6-167.1-123.2 138.5 29.3 3.1 23.6 72 442 A L E -JK 64 83B 0 -8,-1.4 -8,-1.2 -2,-0.4 2,-0.4 -0.980 12.0-163.8-125.3 118.8 32.3 0.9 22.8 73 443 A I E -JK 63 82B 2 9,-2.3 9,-1.5 -2,-0.5 2,-0.6 -0.870 9.9-164.5-109.1 135.0 31.8 -2.9 22.9 74 444 A L E -JK 62 81B 5 -12,-3.1 -12,-2.3 -2,-0.4 7,-0.2 -0.920 18.6-146.1-116.6 106.7 34.4 -5.5 23.0 75 445 A Y > - 0 0 17 5,-2.1 3,-1.0 -2,-0.6 2,-0.5 -0.187 33.4 -93.3 -66.3 162.7 33.1 -9.0 22.1 76 446 A N T 3 S+ 0 0 51 1,-0.3 -1,-0.1 -17,-0.2 -15,-0.1 0.144 112.4 80.1 -68.4 21.8 34.4 -12.2 23.8 77 447 A D T 3 S- 0 0 59 -2,-0.5 -1,-0.3 3,-0.2 574,-0.1 0.140 103.4-123.6-106.6 17.0 37.1 -12.9 21.1 78 448 A G S < S+ 0 0 44 -3,-1.0 -2,-0.1 1,-0.2 3,-0.1 0.710 96.6 56.7 49.6 25.9 39.1 -10.3 22.9 79 449 A D S S+ 0 0 13 -4,-0.4 16,-2.2 1,-0.2 17,-0.3 0.575 70.3 91.9-149.6 -39.6 39.4 -8.4 19.7 80 450 A S E - L 0 94B 0 14,-0.2 -5,-2.1 -5,-0.1 2,-0.3 -0.533 53.0-169.9 -73.5 130.6 36.2 -7.4 17.8 81 451 A L E -KL 74 93B 0 12,-2.7 12,-1.4 -2,-0.3 2,-0.4 -0.856 17.0-164.8-122.2 155.5 34.9 -3.9 18.7 82 452 A Q E -KL 73 92B 9 -9,-1.5 -9,-2.3 -2,-0.3 2,-0.4 -0.914 8.3-162.2-141.4 110.9 31.7 -1.9 18.0 83 453 A Y E -KL 72 91B 21 8,-2.6 8,-1.7 -2,-0.4 2,-0.5 -0.779 4.0-164.1 -94.2 134.8 31.6 1.8 18.5 84 454 A I E -KL 71 90B 3 -13,-3.2 -13,-2.2 -2,-0.4 6,-0.2 -0.935 8.3-151.3-124.1 110.5 28.2 3.4 18.8 85 455 A E > - 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