==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 07-FEB-13 4J52 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PLK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.J.HOSFIELD,R.J.SKENE . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 0 0 1 0 2 0 0 0 1 0 1 0 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 . 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 38 A K 0 0 173 0, 0.0 2,-0.2 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 86.5 28.0 -43.0 3.3 2 39 A E - 0 0 178 1,-0.1 85,-0.1 0, 0.0 0, 0.0 -0.541 360.0-110.6 -99.3 149.3 26.8 -43.7 -0.3 3 40 A I - 0 0 27 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.554 39.7-104.9 -80.6 133.0 25.5 -41.2 -2.9 4 41 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.144 12.0-136.0 -54.7 143.5 21.8 -41.4 -3.9 5 42 A E S S+ 0 0 161 1,-0.2 13,-3.1 12,-0.1 2,-0.4 0.849 98.9 36.8 -64.8 -38.3 20.7 -42.9 -7.2 6 43 A V E S-A 17 0A 49 11,-0.2 2,-0.7 27,-0.0 11,-0.2 -0.976 78.5-146.9-119.2 132.7 18.3 -39.9 -7.6 7 44 A L E -A 16 0A 3 9,-3.2 9,-2.0 -2,-0.4 2,-0.5 -0.866 18.2-163.2-100.9 109.5 19.2 -36.4 -6.5 8 45 A V E -A 15 0A 75 -2,-0.7 7,-0.2 7,-0.2 76,-0.1 -0.822 12.0-160.7-101.6 123.4 16.1 -34.5 -5.3 9 46 A D E >> -A 14 0A 20 5,-3.3 4,-1.1 -2,-0.5 5,-1.0 -0.883 6.1-167.7 -96.3 108.2 16.0 -30.7 -4.9 10 47 A P T 45S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.792 81.4 53.6 -69.6 -28.1 13.1 -30.1 -2.5 11 48 A R T 45S+ 0 0 235 1,-0.2 72,-0.0 3,-0.1 -2,-0.0 0.966 121.1 27.8 -71.1 -52.9 13.0 -26.3 -3.2 12 49 A S T 45S- 0 0 39 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.466 102.1-127.2 -88.3 -3.7 12.8 -26.4 -6.9 13 50 A R T <5 + 0 0 220 -4,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.751 58.8 148.4 63.4 26.7 11.0 -29.8 -7.0 14 51 A R E < -A 9 0A 121 -5,-1.0 -5,-3.3 22,-0.0 2,-0.4 -0.741 32.5-161.2 -99.5 141.3 13.7 -31.1 -9.4 15 52 A R E -A 8 0A 128 -2,-0.3 21,-3.0 -7,-0.2 2,-0.5 -0.974 1.7-164.2-124.0 133.3 15.0 -34.7 -9.6 16 53 A Y E -AB 7 35A 11 -9,-2.0 -9,-3.2 -2,-0.4 2,-0.5 -0.970 15.8-140.1-122.0 119.0 18.2 -35.8 -11.2 17 54 A V E -AB 6 34A 68 17,-3.0 17,-2.1 -2,-0.5 2,-0.7 -0.669 29.6-122.2 -73.9 119.6 19.0 -39.4 -12.1 18 55 A R E - B 0 33A 74 -13,-3.1 15,-0.2 -2,-0.5 3,-0.1 -0.555 38.9-174.2 -67.4 110.4 22.6 -39.9 -11.2 19 56 A G E - 0 0 31 13,-2.6 14,-0.1 -2,-0.7 2,-0.1 0.173 37.8 -23.7 -87.3-150.3 24.3 -41.0 -14.5 20 57 A R E - 0 0 160 11,-0.1 12,-2.2 1,-0.1 -1,-0.2 -0.304 66.7-103.8 -76.5 140.2 27.8 -42.2 -15.2 21 58 A F E - B 0 31A 106 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.357 32.3-177.8 -57.8 124.9 30.9 -41.4 -13.1 22 59 A L E - 0 0 64 8,-2.9 2,-0.2 1,-0.4 9,-0.2 0.635 52.0 -79.8 -97.3 -22.4 33.0 -38.8 -14.7 23 60 A G E - B 0 30A 23 7,-1.2 7,-2.9 2,-0.0 2,-0.8 -0.704 43.5 -75.2 134.6 172.0 35.8 -38.6 -12.2 24 61 A K - 0 0 135 5,-0.2 2,-0.9 -2,-0.2 5,-0.2 -0.717 36.6-173.3-114.1 78.5 36.8 -37.2 -8.8 25 62 A G > - 0 0 46 -2,-0.8 3,-1.2 2,-0.1 2,-0.2 -0.618 64.4 -52.1 -71.3 102.4 37.7 -33.5 -9.0 26 63 A G T 3 S- 0 0 63 -2,-0.9 -2,-0.0 1,-0.3 0, 0.0 -0.478 119.0 -18.9 71.2-134.6 39.1 -32.6 -5.5 27 64 A F T 3 S+ 0 0 112 -2,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.765 124.2 88.9 -70.9 -27.9 36.8 -33.7 -2.6 28 65 A A < - 0 0 5 -3,-1.2 2,-0.5 19,-0.1 19,-0.2 -0.319 67.7-145.5 -77.3 151.8 33.9 -33.9 -5.0 29 66 A K E - C 0 46A 82 17,-2.8 17,-2.3 -5,-0.2 2,-0.4 -0.983 21.7-146.9-112.5 131.4 32.8 -36.9 -7.1 30 67 A C E +BC 23 45A 30 -7,-2.9 -8,-2.9 -2,-0.5 -7,-1.2 -0.841 21.0 171.2-110.0 135.3 31.5 -35.9 -10.5 31 68 A F E -BC 21 44A 13 13,-2.0 13,-3.3 -2,-0.4 2,-0.3 -0.981 39.4-110.5-136.0 145.3 28.7 -37.6 -12.4 32 69 A E E - C 0 43A 30 -12,-2.2 -13,-2.6 -2,-0.3 2,-0.4 -0.649 45.1-168.7 -63.5 130.3 26.6 -37.0 -15.6 33 70 A I E -BC 18 42A 1 9,-2.4 9,-3.4 -2,-0.3 2,-0.5 -0.974 11.2-153.7-129.0 145.9 23.1 -36.3 -14.2 34 71 A S E -BC 17 41A 37 -17,-2.1 -17,-3.0 -2,-0.4 7,-0.2 -0.974 20.1-121.5-123.0 130.0 19.9 -36.1 -16.0 35 72 A D E > -B 16 0A 10 5,-2.2 4,-0.9 -2,-0.5 -19,-0.3 -0.423 18.5-137.7 -61.3 137.6 16.8 -34.2 -15.0 36 73 A A T 4 S+ 0 0 37 -21,-3.0 -1,-0.1 2,-0.1 -20,-0.1 0.803 98.0 35.8 -72.0 -30.3 13.8 -36.5 -14.7 37 74 A D T 4 S+ 0 0 137 -22,-0.3 -1,-0.1 3,-0.1 -21,-0.0 0.948 128.8 27.4 -84.2 -69.0 11.4 -34.0 -16.4 38 75 A T T 4 S- 0 0 83 1,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.701 88.1-140.9 -69.7 -20.1 13.4 -32.2 -19.1 39 76 A K < + 0 0 141 -4,-0.9 2,-0.2 1,-0.3 -1,-0.1 0.515 47.5 156.9 65.2 6.9 15.8 -35.2 -19.6 40 77 A E - 0 0 107 -6,-0.1 -5,-2.2 1,-0.1 2,-0.3 -0.435 39.5-130.5 -68.1 129.9 18.3 -32.4 -19.9 41 78 A V E +C 34 0A 53 -7,-0.2 54,-0.4 -2,-0.2 2,-0.3 -0.639 32.7 171.6 -89.9 142.5 21.8 -33.7 -19.1 42 79 A F E -C 33 0A 14 -9,-3.4 -9,-2.4 -2,-0.3 2,-0.6 -0.812 37.5-104.8-138.2 170.9 24.1 -31.9 -16.7 43 80 A A E -CD 32 93A 18 50,-3.4 50,-3.4 -2,-0.3 2,-0.5 -0.949 35.0-154.9-106.0 115.7 27.3 -32.2 -14.8 44 81 A G E -CD 31 92A 3 -13,-3.3 -13,-2.0 -2,-0.6 2,-0.7 -0.802 6.4-162.0 -93.9 123.2 26.7 -33.0 -11.1 45 82 A K E -CD 30 91A 30 46,-3.2 46,-2.6 -2,-0.5 2,-0.6 -0.918 14.4-173.2-103.9 110.7 29.4 -32.1 -8.5 46 83 A I E -CD 29 90A 3 -17,-2.3 -17,-2.8 -2,-0.7 44,-0.2 -0.916 5.5-179.0-112.6 118.5 28.7 -34.0 -5.4 47 84 A V E - D 0 89A 4 42,-3.0 42,-2.8 -2,-0.6 2,-0.3 -0.964 25.1-127.1-121.1 130.0 30.7 -33.4 -2.2 48 85 A P E > - D 0 88A 27 0, 0.0 3,-2.1 0, 0.0 40,-0.3 -0.565 9.7-138.0 -78.5 134.5 30.2 -35.2 1.0 49 86 A K G > S+ 0 0 26 38,-2.4 3,-2.5 -2,-0.3 39,-0.1 0.752 98.6 76.9 -60.0 -24.6 29.7 -33.1 4.1 50 87 A S G 3 S+ 0 0 70 37,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.657 96.7 47.8 -58.6 -18.0 32.0 -35.5 6.0 51 88 A L G < S+ 0 0 78 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.361 106.7 59.2-100.1 2.7 34.8 -33.6 4.2 52 89 A L < + 0 0 6 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.2 -0.239 63.3 123.1-121.8 37.4 33.3 -30.3 5.2 53 90 A L + 0 0 128 -3,-0.3 -1,-0.1 4,-0.1 -2,-0.1 0.832 61.1 72.4 -68.3 -32.7 33.4 -30.7 8.9 54 91 A K S >> S- 0 0 133 -3,-0.2 4,-2.7 1,-0.1 3,-0.5 -0.722 80.5-135.6 -90.9 131.1 35.4 -27.5 9.4 55 92 A P H 3> S+ 0 0 84 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.822 106.5 60.2 -47.2 -37.7 33.8 -24.1 8.9 56 93 A H H 3> S+ 0 0 99 2,-0.2 4,-1.2 1,-0.2 -4,-0.0 0.946 109.9 40.1 -59.1 -48.1 36.9 -23.1 6.9 57 94 A Q H <> S+ 0 0 52 -3,-0.5 4,-1.5 1,-0.2 3,-0.2 0.883 115.3 52.4 -69.7 -39.9 36.3 -25.9 4.3 58 95 A R H X S+ 0 0 115 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.894 106.6 54.4 -58.5 -40.9 32.5 -25.2 4.4 59 96 A E H X S+ 0 0 123 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.809 103.9 54.0 -66.2 -31.5 33.1 -21.6 3.7 60 97 A K H X S+ 0 0 56 -4,-1.2 4,-2.2 -3,-0.2 -1,-0.2 0.867 109.0 48.5 -71.3 -41.8 35.1 -22.3 0.6 61 98 A M H X S+ 0 0 22 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.910 112.1 50.3 -55.9 -45.2 32.4 -24.4 -0.8 62 99 A S H X S+ 0 0 66 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.901 111.0 47.4 -66.2 -42.9 29.9 -21.6 -0.1 63 100 A M H X S+ 0 0 68 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.912 108.1 55.3 -64.1 -46.7 32.0 -19.0 -1.7 64 101 A E H X S+ 0 0 17 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.937 113.9 41.7 -49.3 -49.7 32.5 -21.1 -4.8 65 102 A I H X S+ 0 0 14 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.940 113.1 53.6 -65.3 -47.1 28.7 -21.4 -5.1 66 103 A S H < S+ 0 0 55 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.900 117.1 37.5 -52.5 -45.4 28.2 -17.7 -4.3 67 104 A I H >< S+ 0 0 2 -4,-3.2 3,-0.9 1,-0.2 -2,-0.2 0.943 119.1 45.8 -74.8 -47.9 30.6 -16.7 -7.0 68 105 A H H >< S+ 0 0 3 -4,-2.9 3,-1.1 -5,-0.3 11,-0.2 0.790 105.6 59.5 -72.7 -26.4 29.7 -19.2 -9.6 69 106 A R T 3< S+ 0 0 144 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.726 102.8 55.2 -70.9 -20.7 25.9 -18.9 -9.3 70 107 A S T < S+ 0 0 60 -3,-0.9 2,-0.4 -4,-0.4 -1,-0.2 0.312 91.4 93.5 -95.1 3.3 26.2 -15.2 -10.2 71 108 A L < + 0 0 10 -3,-1.1 8,-0.5 6,-0.1 2,-0.3 -0.858 40.4 169.3-107.2 133.9 28.0 -15.8 -13.5 72 109 A A + 0 0 82 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.878 24.5 128.4-141.0 109.2 26.5 -16.1 -17.0 73 110 A H > - 0 0 65 3,-0.3 3,-1.4 -2,-0.3 53,-0.1 -0.985 62.2-114.6-155.7 155.6 28.8 -16.0 -20.0 74 111 A Q T 3 S+ 0 0 107 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.754 117.5 40.7 -63.2 -28.7 29.5 -18.1 -23.1 75 112 A H T 3 S+ 0 0 4 79,-0.1 80,-2.9 2,-0.1 2,-0.4 0.111 101.1 84.0-112.2 24.7 33.0 -19.0 -22.0 76 113 A V B < S-f 155 0B 2 -3,-1.4 -3,-0.3 78,-0.3 80,-0.2 -0.970 91.6-100.6-122.9 137.0 32.1 -19.6 -18.3 77 114 A V - 0 0 7 78,-3.0 2,-0.1 -2,-0.4 -6,-0.1 -0.377 44.9-109.2 -57.8 126.4 30.8 -23.0 -17.2 78 115 A G - 0 0 17 -2,-0.1 16,-2.2 -4,-0.1 2,-0.6 -0.373 24.7-151.1 -60.2 129.8 27.0 -22.8 -16.8 79 116 A F E +E 93 0A 35 -8,-0.5 14,-0.2 -11,-0.2 3,-0.1 -0.934 20.6 171.7-103.8 116.7 25.8 -22.9 -13.2 80 117 A H E - 0 0 94 12,-2.8 2,-0.2 -2,-0.6 13,-0.2 0.501 52.9 -62.5-110.8 -5.5 22.4 -24.4 -13.1 81 118 A G E -E 92 0A 21 11,-1.0 11,-3.6 2,-0.0 -1,-0.3 -0.772 38.2-131.8 147.0 171.5 21.8 -24.8 -9.3 82 119 A F E +E 91 0A 64 9,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.979 22.1 157.7-149.4 159.9 22.8 -26.3 -6.0 83 120 A F E -E 90 0A 11 7,-2.3 7,-3.2 -2,-0.3 2,-0.3 -0.955 17.0-149.7-170.1 177.4 21.2 -28.1 -3.1 84 121 A E E -E 89 0A 100 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.978 7.6-158.0-153.2 157.9 22.1 -30.5 -0.3 85 122 A D - 0 0 53 3,-2.0 -2,-0.0 -2,-0.3 -76,-0.0 -0.626 56.0 -77.6-121.2-166.8 20.8 -33.2 2.0 86 123 A N S S+ 0 0 149 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.741 129.6 32.3 -66.4 -19.3 22.2 -34.2 5.4 87 124 A D S S+ 0 0 55 1,-0.1 -38,-2.4 -38,-0.1 -37,-0.5 0.663 118.0 33.9-110.8 -25.3 25.1 -36.1 3.8 88 125 A F E -D 48 0A 5 -40,-0.3 -3,-2.0 -39,-0.1 2,-0.5 -0.939 53.8-139.7-139.0 155.1 26.0 -34.3 0.5 89 126 A V E -DE 47 84A 11 -42,-2.8 -42,-3.0 -2,-0.3 2,-0.5 -0.971 27.0-161.8-108.6 132.5 26.3 -31.0 -1.3 90 127 A F E -DE 46 83A 6 -7,-3.2 -7,-2.3 -2,-0.5 2,-0.5 -0.970 7.5-172.3-119.9 123.7 25.1 -31.2 -4.9 91 128 A V E -DE 45 82A 3 -46,-2.6 -46,-3.2 -2,-0.5 2,-0.7 -0.960 13.8-147.6-118.6 129.9 26.0 -28.7 -7.6 92 129 A V E +DE 44 81A 1 -11,-3.6 -12,-2.8 -2,-0.5 -11,-1.0 -0.847 29.1 170.2-101.1 116.2 24.5 -28.8 -11.0 93 130 A L E -DE 43 79A 20 -50,-3.4 -50,-3.4 -2,-0.7 2,-0.3 -0.716 41.5 -78.8-126.0 166.9 26.8 -27.5 -13.7 94 131 A E - 0 0 44 -16,-2.2 2,-0.4 -2,-0.2 -52,-0.1 -0.529 46.1-125.6 -67.9 124.1 27.1 -27.4 -17.4 95 132 A L - 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