==== 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 20-MAY-09 3HIH . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PLK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.WLODAWER,T.MOULAEI . 436 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 70.2 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 . 120 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 31 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 1 1 2 0 1 0 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 . 2 1 1 5 11 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 0 0 2 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 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 78 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 127.4 -21.9 1.5 22.9 2 372 A C H > + 0 0 74 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.839 360.0 55.0 -71.6 -34.8 -23.0 5.1 23.0 3 373 A H H > S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 105.2 51.1 -65.1 -42.5 -20.2 5.7 25.5 4 374 A L H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 110.2 49.7 -60.2 -40.5 -17.6 4.2 23.1 5 375 A S H X S+ 0 0 62 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.924 112.0 47.7 -65.0 -42.4 -18.9 6.6 20.4 6 376 A D H X S+ 0 0 83 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.926 111.8 50.9 -61.0 -45.8 -18.6 9.5 22.7 7 377 A M H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.891 107.9 51.6 -58.6 -42.6 -15.1 8.4 23.8 8 378 A L H X S+ 0 0 41 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.941 110.5 49.3 -62.3 -42.7 -14.0 8.1 20.1 9 379 A Q H X S+ 0 0 74 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.901 111.4 49.4 -60.8 -42.3 -15.3 11.8 19.5 10 380 A Q H X S+ 0 0 38 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.872 114.7 43.6 -66.6 -38.9 -13.5 13.0 22.6 11 381 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.864 111.1 55.2 -74.3 -37.4 -10.2 11.3 21.5 12 382 A H H X S+ 0 0 84 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.950 111.0 46.5 -54.4 -46.9 -10.7 12.5 17.9 13 383 A S H X S+ 0 0 50 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.935 114.1 44.0 -69.8 -47.4 -10.9 16.0 19.2 14 384 A V H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.935 117.4 46.1 -63.1 -43.3 -7.9 16.0 21.6 15 385 A N H >< S+ 0 0 29 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.891 107.0 57.0 -68.8 -38.5 -5.7 14.2 19.0 16 386 A A H 3< S+ 0 0 72 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.736 99.6 62.2 -63.6 -21.1 -6.8 16.5 16.1 17 387 A S T << S- 0 0 32 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.482 100.7-138.0 -82.6 -5.7 -5.5 19.4 18.2 18 388 A K X - 0 0 122 -3,-1.9 3,-1.7 -4,-0.2 -3,-0.1 0.943 24.8-170.1 47.8 64.4 -2.0 18.0 18.2 19 389 A P T 3 S+ 0 0 4 0, 0.0 183,-1.5 0, 0.0 -1,-0.1 0.653 75.9 55.9 -69.6 -18.5 -1.6 18.8 21.9 20 390 A S T 3 S+ 0 0 37 181,-0.2 2,-1.6 1,-0.2 184,-0.2 0.620 87.9 84.6 -85.2 -10.4 2.2 18.2 22.2 21 391 A E < + 0 0 136 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.2 -0.504 67.6 111.4 -91.0 66.3 2.9 20.7 19.3 22 392 A R S S- 0 0 83 -2,-1.6 3,-0.3 180,-0.1 178,-0.0 -0.983 71.2-128.9-137.4 147.6 2.9 23.8 21.5 23 393 A G S S+ 0 0 94 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.941 103.6 20.1 -65.0 -48.1 5.7 26.1 22.5 24 394 A L S S- 0 0 131 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.962 79.5-147.9-123.8 111.3 4.9 25.8 26.2 25 395 A V - 0 0 46 -2,-0.5 176,-0.2 -3,-0.3 3,-0.1 -0.620 14.5-177.9 -72.1 134.2 2.8 22.8 27.4 26 396 A R > + 0 0 102 174,-3.0 3,-2.0 -2,-0.3 4,-0.3 -0.299 22.6 149.1-129.1 48.3 0.6 23.7 30.4 27 397 A Q G > + 0 0 39 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.782 63.4 71.5 -65.7 -24.4 -1.0 20.3 31.1 28 398 A E G > S+ 0 0 100 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.816 89.9 62.7 -55.8 -31.5 -1.3 21.1 34.8 29 399 A E G < S+ 0 0 89 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.679 98.9 55.5 -64.1 -19.3 -4.0 23.5 33.9 30 400 A A G < S+ 0 0 0 -3,-2.1 163,-2.6 -4,-0.3 -1,-0.2 0.513 82.5 113.9 -93.2 -6.2 -6.1 20.6 32.5 31 401 A E B < +A 192 0A 66 -3,-1.0 161,-0.3 -4,-0.4 3,-0.1 -0.401 38.8 177.3 -68.0 138.5 -5.9 18.7 35.8 32 402 A D > - 0 0 41 159,-2.2 3,-2.2 -2,-0.1 4,-0.1 -0.769 19.1-170.5-144.4 97.3 -9.2 18.2 37.6 33 403 A P G > S+ 0 0 93 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.688 87.1 72.6 -56.9 -18.1 -9.3 16.1 40.8 34 404 A A G 3 S+ 0 0 68 1,-0.2 -3,-0.0 157,-0.1 96,-0.0 0.580 96.1 52.6 -66.4 -11.4 -13.1 16.3 40.6 35 405 A C G < S+ 0 0 3 -3,-2.2 -1,-0.2 156,-0.1 157,-0.1 0.342 72.5 133.5-110.1 -0.3 -12.8 13.8 37.7 36 406 A I < - 0 0 35 -3,-1.2 94,-0.6 -4,-0.1 155,-0.0 -0.325 65.6-104.6 -53.9 131.4 -10.7 11.1 39.4 37 407 A P - 0 0 8 0, 0.0 93,-1.0 0, 0.0 3,-0.1 -0.166 15.8-148.5 -61.2 153.4 -12.3 7.8 38.5 38 408 A I S S+ 0 0 35 91,-0.2 2,-0.4 1,-0.2 94,-0.1 0.782 83.7 28.1 -81.1 -36.1 -14.4 5.9 41.0 39 409 A F + 0 0 27 19,-0.1 2,-0.3 18,-0.1 -1,-0.2 -0.980 60.9 152.9-132.3 136.9 -13.4 2.5 39.5 40 410 A W - 0 0 2 -2,-0.4 18,-2.2 -3,-0.1 2,-0.6 -0.939 50.7 -92.6-148.5 168.5 -10.5 1.1 37.6 41 411 A V E +G 57 0B 1 -2,-0.3 16,-0.3 16,-0.2 3,-0.1 -0.757 37.3 178.8 -84.4 120.8 -9.0 -2.4 37.2 42 412 A S E + 0 0 5 14,-2.4 81,-2.9 -2,-0.6 2,-0.3 0.650 67.2 12.1 -96.5 -24.8 -6.2 -2.8 39.9 43 413 A K E -G 56 0B 26 13,-1.3 13,-2.8 79,-0.2 2,-0.3 -0.972 65.1-172.2-148.4 148.6 -5.1 -6.4 39.1 44 414 A W E -G 55 0B 59 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.994 10.2-163.7-145.9 154.5 -5.8 -8.8 36.2 45 415 A V E -G 54 0B 18 9,-2.7 9,-2.3 -2,-0.3 2,-1.0 -0.973 12.8-150.0-138.7 117.7 -5.1 -12.5 35.3 46 416 A D E +G 53 0B 51 -2,-0.4 7,-0.2 7,-0.2 3,-0.1 -0.800 35.1 150.4 -93.3 101.6 -5.4 -13.8 31.8 47 417 A Y E >>> +G 52 0B 75 5,-2.1 4,-2.8 -2,-1.0 3,-1.7 -0.241 24.5 133.8-115.0 38.2 -6.4 -17.4 32.1 48 418 A S T 345 + 0 0 45 1,-0.3 -1,-0.1 3,-0.2 5,-0.1 0.665 53.4 73.6 -71.0 -14.1 -8.2 -17.2 28.8 49 419 A D T 345S+ 0 0 118 3,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.665 124.2 0.0 -72.8 -11.7 -6.7 -20.5 27.5 50 420 A K T <45S+ 0 0 130 -3,-1.7 -2,-0.2 2,-0.2 -1,-0.1 0.594 140.6 8.2-140.3 -41.4 -9.0 -22.4 29.8 51 421 A Y T <5S- 0 0 74 -4,-2.8 16,-2.4 1,-0.3 17,-0.3 0.787 92.0 -99.8-123.7 -49.2 -11.3 -20.3 32.0 52 422 A G E < -GH 47 66B 0 -5,-1.5 -5,-2.1 14,-0.3 2,-0.6 -0.984 51.1 -44.0 151.4-156.1 -11.5 -16.5 31.2 53 423 A L E -GH 46 65B 0 12,-2.2 12,-2.3 -2,-0.3 2,-0.3 -0.964 47.9-162.4-119.1 112.2 -10.1 -13.2 32.5 54 424 A G E +GH 45 64B 0 -9,-2.3 -9,-2.7 -2,-0.6 2,-0.3 -0.726 17.7 171.0 -93.8 146.9 -10.1 -12.6 36.3 55 425 A Y E -GH 44 63B 2 8,-2.8 8,-2.7 -2,-0.3 2,-0.4 -0.991 28.6-139.4-153.5 159.0 -9.7 -9.1 37.7 56 426 A Q E -GH 43 62B 20 -13,-2.8 -14,-2.4 -2,-0.3 -13,-1.3 -0.974 17.9-144.1-115.8 138.8 -9.8 -6.9 40.7 57 427 A L E > -G 41 0B 1 4,-2.3 3,-2.6 -2,-0.4 -16,-0.2 -0.662 35.7-101.7 -90.9 164.9 -11.3 -3.4 40.9 58 428 A C T 3 S+ 0 0 12 -18,-2.2 -17,-0.1 1,-0.3 -19,-0.1 0.625 121.3 62.4 -66.7 -11.3 -9.8 -0.8 43.0 59 429 A D T 3 S- 0 0 17 -19,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.262 120.5-106.4 -91.1 7.9 -12.5 -1.3 45.7 60 430 A N S < S+ 0 0 85 -3,-2.6 -2,-0.1 1,-0.3 2,-0.0 0.357 75.9 138.7 78.9 3.0 -11.2 -4.9 46.2 61 431 A S - 0 0 1 -4,-0.1 -4,-2.3 -5,-0.0 2,-0.4 -0.383 43.0-144.8 -63.7 149.9 -14.2 -6.5 44.4 62 432 A V E +HI 56 74B 3 12,-2.2 12,-3.2 -6,-0.2 2,-0.3 -0.967 19.7 178.2-122.3 140.0 -13.2 -9.3 42.1 63 433 A G E -HI 55 73B 0 -8,-2.7 -8,-2.8 -2,-0.4 2,-0.3 -0.926 13.7-156.6-132.5 164.7 -14.8 -10.3 38.8 64 434 A V E -HI 54 72B 0 8,-1.9 8,-1.8 -2,-0.3 2,-0.7 -0.992 9.7-156.8-140.2 138.1 -14.4 -12.8 36.0 65 435 A L E -HI 53 71B 19 -12,-2.3 -12,-2.2 -2,-0.3 6,-0.2 -0.956 32.6-148.8-104.9 106.3 -15.4 -12.7 32.4 66 436 A F E > -H 52 0B 11 4,-2.4 3,-2.1 -2,-0.7 -14,-0.3 -0.382 23.0-110.7 -76.3 158.3 -15.6 -16.4 31.6 67 437 A N T 3 S+ 0 0 83 -16,-2.4 -15,-0.1 1,-0.3 -1,-0.1 0.760 119.1 62.0 -56.7 -29.2 -14.8 -17.9 28.2 68 438 A D T 3 S- 0 0 81 -17,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.319 119.1-111.4 -79.3 6.6 -18.5 -18.7 27.9 69 439 A S S < S+ 0 0 71 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.468 79.2 123.2 72.7 9.3 -19.3 -14.9 28.0 70 440 A T - 0 0 8 17,-0.1 -4,-2.4 18,-0.0 2,-0.4 -0.512 48.3-149.3 -87.0 161.6 -21.0 -15.1 31.5 71 441 A R E -IJ 65 84B 32 13,-2.1 13,-2.8 -6,-0.2 2,-0.4 -0.989 11.1-167.1-136.9 143.1 -19.6 -12.9 34.3 72 442 A L E -IJ 64 83B 0 -8,-1.8 -8,-1.9 -2,-0.4 2,-0.4 -0.999 7.1-168.0-132.9 133.7 -19.5 -13.3 38.0 73 443 A I E -IJ 63 82B 4 9,-2.5 9,-2.2 -2,-0.4 2,-0.6 -0.975 8.8-157.8-125.9 132.1 -18.6 -10.5 40.5 74 444 A L E -IJ 62 81B 4 -12,-3.2 -12,-2.2 -2,-0.4 7,-0.2 -0.958 21.3-137.3-110.8 116.1 -17.8 -10.8 44.2 75 445 A Y > - 0 0 52 5,-2.6 3,-1.9 -2,-0.6 4,-0.1 -0.174 28.7-100.7 -68.4 166.9 -18.4 -7.6 46.1 76 446 A N T 3 S+ 0 0 53 1,-0.3 -1,-0.1 164,-0.2 165,-0.1 0.530 113.2 78.5 -75.7 2.6 -15.9 -6.5 48.7 77 447 A D T 3 S- 0 0 63 3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.565 103.8-125.3 -78.9 -6.2 -18.1 -7.8 51.5 78 448 A G S < S+ 0 0 34 -3,-1.9 -2,-0.1 2,-0.2 3,-0.1 0.501 93.6 53.0 79.1 3.6 -16.7 -11.2 50.6 79 449 A D S S+ 0 0 52 1,-0.1 16,-2.6 16,-0.1 2,-0.2 0.573 76.4 92.3-139.5 -32.9 -20.2 -12.9 50.2 80 450 A S E - K 0 94B 41 14,-0.2 -5,-2.6 15,-0.1 2,-0.3 -0.513 53.1-171.1 -79.2 134.3 -22.5 -10.9 47.8 81 451 A L E -JK 74 93B 2 12,-3.2 12,-2.0 -2,-0.2 2,-0.4 -0.891 17.3-157.8-120.7 150.3 -22.3 -12.1 44.1 82 452 A Q E -JK 73 92B 14 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.5 -1.000 13.8-163.0-120.9 129.2 -23.7 -10.7 40.9 83 453 A Y E -JK 72 91B 19 8,-3.0 8,-2.3 -2,-0.4 2,-0.5 -0.956 3.0-165.1-115.9 131.5 -24.1 -13.2 38.0 84 454 A I E -JK 71 90B 3 -13,-2.8 -13,-2.1 -2,-0.5 6,-0.2 -0.964 11.8-151.1-120.9 112.5 -24.6 -12.0 34.5 85 455 A E > - 0 0 83 4,-2.8 3,-2.2 -2,-0.5 -16,-0.0 -0.190 38.0 -88.0 -75.4 172.6 -25.8 -14.6 31.9 86 456 A R T 3 S+ 0 0 75 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.799 128.8 51.1 -52.6 -36.1 -25.0 -14.6 28.2 87 457 A D T 3 S- 0 0 127 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.288 122.1-105.6 -86.4 12.3 -28.1 -12.3 27.4 88 458 A G < + 0 0 37 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.629 69.1 153.9 75.0 11.5 -26.9 -9.9 30.1 89 459 A T - 0 0 71 -5,-0.0 -4,-2.8 1,-0.0 2,-0.3 -0.646 30.3-157.4 -66.0 120.2 -29.7 -11.0 32.4 90 460 A E E +K 84 0B 84 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.807 18.1 173.6-107.7 149.4 -28.2 -10.2 35.8 91 461 A S E -K 83 0B 53 -8,-2.3 -8,-3.0 -2,-0.3 2,-0.4 -0.958 22.2-130.3-146.8 163.6 -29.1 -11.7 39.2 92 462 A Y E +K 82 0B 122 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.923 34.4 145.4-119.1 141.4 -27.8 -11.4 42.8 93 463 A L E -K 81 0B 34 -12,-2.0 -12,-3.2 -2,-0.4 2,-0.3 -0.853 38.3-104.9-154.8-174.7 -26.9 -14.3 45.2 94 464 A T E > -K 80 0B 46 -2,-0.3 3,-0.8 -14,-0.2 -14,-0.2 -0.935 13.8-133.5-124.1 151.7 -24.5 -15.1 47.9 95 465 A V G > S+ 0 0 7 -16,-2.6 3,-2.4 -2,-0.3 -1,-0.1 0.912 109.3 63.5 -58.8 -41.3 -21.4 -17.4 48.0 96 466 A S G 3 S+ 0 0 72 1,-0.3 -1,-0.2 -17,-0.2 -16,-0.1 0.660 91.2 64.6 -62.2 -19.5 -22.9 -18.7 51.3 97 467 A S G < S- 0 0 68 -3,-0.8 -1,-0.3 2,-0.0 -2,-0.2 0.563 91.4-152.3 -75.4 -9.9 -25.9 -20.1 49.4 98 468 A H < - 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