==== 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 25-MAR-11 3R9H . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.9 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 . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.7 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 . 27 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 1 1 0 0 1 0 1 0 0 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 . 0 1 1 0 1 1 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 . 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 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 1 A M 0 0 82 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.5 -80.0 -20.7 -47.9 2 2 A E + 0 0 134 0, 0.0 3,-0.0 0, 0.0 22,-0.0 0.093 360.0 61.9 174.4 -34.6 -79.4 -24.2 -49.3 3 3 A N S S+ 0 0 69 1,-0.1 21,-1.4 20,-0.1 22,-0.5 0.357 104.5 67.4 -88.2 4.7 -77.6 -23.7 -52.6 4 4 A F E -A 23 0A 22 19,-0.2 2,-1.0 20,-0.1 19,-0.2 -0.976 67.6-158.5-132.3 120.5 -74.9 -22.2 -50.4 5 5 A Q E -A 22 0A 87 17,-1.8 17,-0.9 -2,-0.4 -2,-0.0 -0.833 29.2-132.0 -97.0 99.8 -72.8 -23.9 -47.9 6 6 A K E -A 21 0A 94 -2,-1.0 15,-0.3 15,-0.2 3,-0.1 -0.267 25.6-177.0 -52.4 129.9 -71.6 -21.2 -45.6 7 7 A V E - 0 0 58 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.871 61.5 -23.2 -95.3 -53.9 -67.8 -21.5 -45.1 8 8 A E E -A 20 0A 126 12,-1.4 12,-3.7 3,-0.0 2,-0.9 -0.982 65.2-100.3-155.7 157.3 -67.1 -18.6 -42.6 9 9 A K E -A 19 0A 128 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.749 28.7-163.4 -83.7 109.4 -68.7 -15.4 -41.6 10 10 A I E - 0 0 83 8,-1.2 2,-0.3 -2,-0.9 9,-0.2 0.809 54.8 -89.6 -63.1 -28.1 -66.6 -12.8 -43.5 11 11 A G E -A 18 0A 24 7,-1.9 7,-1.4 -3,-0.1 2,-0.6 -0.999 53.4 -40.8 159.2-154.5 -67.9 -10.2 -41.1 12 12 A E E -A 17 0A 127 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.947 45.5-159.7-118.3 108.1 -70.6 -7.7 -40.2 13 13 A G - 0 0 11 3,-1.8 143,-0.0 -2,-0.6 5,-0.0 -0.390 32.8-112.4 -78.6 166.3 -71.9 -5.6 -43.1 14 14 A T S S+ 0 0 22 1,-0.2 140,-0.1 -2,-0.1 -1,-0.1 0.441 119.4 36.8 -79.6 2.8 -73.7 -2.3 -42.3 15 15 A Y S S- 0 0 23 1,-0.2 21,-2.0 19,-0.1 2,-0.2 0.574 132.1 -44.8-121.4 -26.8 -76.9 -3.9 -43.7 16 16 A G E S- B 0 35A 3 19,-0.2 -3,-1.8 20,-0.1 2,-0.4 -0.807 81.4 -38.9-171.8-146.2 -76.5 -7.5 -42.5 17 17 A V E -AB 12 34A 27 17,-1.0 17,-2.2 -2,-0.2 2,-0.5 -0.893 42.0-150.1-109.9 136.4 -74.1 -10.4 -42.3 18 18 A V E -AB 11 33A 26 -7,-1.4 -7,-1.9 -2,-0.4 -8,-1.2 -0.919 17.5-172.5-107.9 122.8 -71.5 -11.2 -45.0 19 19 A Y E -AB 9 32A 37 13,-3.2 13,-3.2 -2,-0.5 2,-0.6 -0.838 27.7-128.6-114.3 150.7 -70.5 -14.9 -45.3 20 20 A K E +AB 8 31A 39 -12,-3.7 -13,-3.4 -2,-0.3 -12,-1.4 -0.881 49.0 170.3 -91.4 125.2 -67.9 -16.6 -47.4 21 21 A A E -AB 6 30A 0 9,-3.0 9,-2.9 -2,-0.6 2,-0.4 -0.901 33.7-132.0-137.7 165.9 -69.9 -19.2 -49.2 22 22 A R E -AB 5 29A 82 -17,-0.9 -17,-1.8 -2,-0.3 2,-1.5 -0.977 24.4-124.6-121.8 132.1 -69.7 -21.8 -51.9 23 23 A N E >> -A 4 0A 29 5,-2.8 4,-4.8 -2,-0.4 3,-2.6 -0.607 21.6-155.9 -75.2 93.7 -72.3 -22.3 -54.6 24 24 A K T 34 S+ 0 0 95 -2,-1.5 -1,-0.2 -21,-1.4 -20,-0.1 0.594 92.2 44.3 -47.7 -12.2 -73.0 -26.0 -54.0 25 25 A L T 34 S+ 0 0 133 -22,-0.5 -1,-0.3 3,-0.1 -21,-0.1 0.522 127.5 24.3-112.6 -11.2 -74.2 -26.1 -57.6 26 26 A T T <4 S- 0 0 80 -3,-2.6 -2,-0.2 2,-0.2 3,-0.1 0.489 91.1-136.5-125.0 -17.8 -71.5 -24.2 -59.4 27 27 A G < + 0 0 46 -4,-4.8 2,-0.2 1,-0.3 -3,-0.1 0.433 55.8 138.6 74.8 -1.6 -68.7 -24.7 -56.9 28 28 A E - 0 0 93 -5,-0.3 -5,-2.8 -6,-0.1 2,-0.5 -0.549 53.2-126.8 -79.0 142.0 -67.6 -21.0 -57.1 29 29 A V E +B 22 0A 51 -7,-0.2 50,-0.8 -2,-0.2 2,-0.3 -0.764 39.2 168.3 -89.9 129.6 -66.7 -19.3 -53.8 30 30 A V E -BC 21 78A 2 -9,-2.9 -9,-3.0 -2,-0.5 2,-0.6 -0.817 41.1-109.3-135.3 172.6 -68.6 -16.0 -53.2 31 31 A A E -BC 20 77A 11 46,-2.6 46,-2.8 -2,-0.3 2,-0.5 -0.952 35.7-158.0-106.6 117.4 -69.3 -13.4 -50.6 32 32 A L E -BC 19 76A 0 -13,-3.2 -13,-3.2 -2,-0.6 2,-0.6 -0.875 5.2-164.9-102.2 125.1 -73.0 -13.8 -49.6 33 33 A K E -BC 18 75A 15 42,-2.7 42,-2.8 -2,-0.5 2,-0.6 -0.947 2.1-162.4-113.3 118.4 -74.6 -10.8 -48.1 34 34 A K E -BC 17 74A 37 -17,-2.2 -17,-1.0 -2,-0.6 2,-0.2 -0.887 20.7-134.3 -98.7 124.6 -77.9 -11.3 -46.3 35 35 A I E B 16 0A 12 38,-2.8 38,-0.4 -2,-0.6 -19,-0.2 -0.571 360.0 360.0 -87.1 146.2 -79.9 -8.1 -45.8 36 36 A R 0 0 126 -21,-2.0 37,-0.1 -2,-0.2 -1,-0.1 0.918 360.0 360.0 -55.3 360.0 -81.5 -7.0 -42.6 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 41 A T 0 0 78 0, 0.0 34,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -67.6 -87.3 -7.3 -42.5 39 42 A E - 0 0 147 32,-0.1 32,-0.1 0, 0.0 33,-0.1 0.003 360.0 -58.0-118.5 26.6 -91.0 -6.6 -43.2 40 43 A G - 0 0 23 31,-0.2 31,-0.1 2,-0.1 32,-0.0 -0.318 66.4-143.9 132.8 -54.7 -90.9 -6.4 -47.0 41 44 A V - 0 0 37 2,-0.0 2,-0.1 4,-0.0 30,-0.1 0.586 42.2 -62.8 63.9 138.3 -88.4 -3.6 -47.9 42 45 A P > - 0 0 80 0, 0.0 4,-1.5 0, 0.0 5,-0.1 -0.306 42.3-165.0 -54.6 121.8 -89.0 -1.3 -50.9 43 46 A S T 4 S+ 0 0 65 2,-0.2 4,-0.4 1,-0.2 -2,-0.0 0.668 90.6 50.9 -81.9 -19.1 -89.1 -3.3 -54.1 44 47 A T T 4 S+ 0 0 89 2,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.811 109.4 49.7 -85.1 -35.0 -88.7 -0.2 -56.2 45 48 A A T >4 S+ 0 0 20 1,-0.2 3,-1.7 2,-0.2 4,-0.4 0.900 106.1 55.9 -69.5 -42.9 -85.7 1.1 -54.2 46 49 A I T >X S+ 0 0 20 -4,-1.5 4,-1.7 1,-0.3 3,-0.7 0.762 85.8 81.7 -61.7 -25.7 -83.9 -2.3 -54.4 47 50 A R H 3> S+ 0 0 151 -4,-0.4 4,-0.9 1,-0.3 -1,-0.3 0.794 82.9 64.7 -50.5 -29.0 -84.2 -2.0 -58.2 48 51 A E H X> S+ 0 0 52 -3,-1.7 3,-1.9 -4,-0.3 4,-1.1 0.976 100.7 48.3 -56.2 -57.1 -81.1 0.2 -57.9 49 52 A I H X> S+ 0 0 1 -3,-0.7 3,-2.0 -4,-0.4 4,-0.7 0.928 106.6 56.2 -47.1 -54.3 -79.2 -2.7 -56.6 50 53 A S H 3< S+ 0 0 46 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.711 106.8 52.0 -53.2 -21.7 -80.5 -4.8 -59.5 51 54 A L H X< S+ 0 0 116 -3,-1.9 3,-1.2 -4,-0.9 -1,-0.3 0.699 95.3 69.1 -87.4 -21.5 -79.0 -2.1 -61.7 52 55 A L H X< S+ 0 0 31 -3,-2.0 3,-1.3 -4,-1.1 11,-0.3 0.684 83.5 72.0 -68.9 -19.6 -75.6 -2.4 -60.0 53 56 A K T 3< S+ 0 0 58 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.767 94.9 54.7 -65.7 -25.9 -75.2 -5.8 -61.6 54 57 A E T < S+ 0 0 122 -3,-1.2 2,-1.2 -4,-0.1 -1,-0.3 0.473 81.8 97.5 -86.6 -4.3 -74.6 -3.9 -64.8 55 58 A L < + 0 0 19 -3,-1.3 2,-0.6 -4,-0.1 8,-0.3 -0.736 56.3 176.3 -86.5 98.1 -71.9 -1.8 -63.4 56 59 A N + 0 0 94 -2,-1.2 5,-0.1 6,-0.1 -3,-0.0 -0.911 13.6 136.0-113.2 119.8 -68.8 -3.7 -64.6 57 60 A H > - 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0 0 66 -3,-0.7 6,-0.2 1,-0.1 5,-0.1 -0.495 51.1-137.7 -68.8 135.0 -61.4 20.8 -49.9 266 269 A Y S S+ 0 0 12 -2,-0.2 -97,-0.2 -50,-0.1 -1,-0.1 0.970 88.4 72.4 -57.6 -55.8 -64.2 22.0 -47.7 267 270 A D S >> S- 0 0 12 -44,-0.5 3,-2.5 1,-0.2 4,-1.5 -0.496 75.5-149.5 -67.7 112.6 -66.4 23.3 -50.5 268 271 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.791 97.9 56.8 -50.4 -34.3 -67.7 20.2 -52.4 269 272 A N T 34 S+ 0 0 150 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.633 110.5 43.7 -75.8 -14.7 -67.8 22.2 -55.6 270 273 A K T <4 S+ 0 0 96 -3,-2.5 -1,-0.2 -5,-0.1 3,-0.1 0.648 89.8 105.9-100.0 -20.7 -64.1 22.9 -55.2 271 274 A R S < S- 0 0 13 -4,-1.5 -8,-0.2 -6,-0.2 -9,-0.1 -0.351 82.1-104.4 -61.3 137.3 -63.2 19.3 -54.2 272 275 A I - 0 0 20 -10,-2.1 2,-0.1 -13,-0.2 -1,-0.1 -0.283 30.5-124.8 -66.4 144.6 -61.4 17.6 -57.1 273 276 A S > - 0 0 60 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.480 23.1-112.4 -83.2 162.7 -63.4 15.0 -59.1 274 277 A A H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -161,-0.1 0.910 117.0 54.1 -60.8 -40.0 -62.1 11.4 -59.5 275 278 A K H > S+ 0 0 165 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.923 110.6 43.1 -62.4 -47.5 -61.5 12.1 -63.2 276 279 A A H >4 S+ 0 0 45 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.864 109.9 57.3 -66.9 -36.6 -59.3 15.2 -62.7 277 280 A A H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.3 6,-0.2 0.861 98.5 61.6 -61.3 -35.7 -57.4 13.5 -59.8 278 281 A L H 3< S+ 0 0 41 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.775 105.4 47.4 -62.2 -25.6 -56.5 10.8 -62.3 279 282 A A T << S+ 0 0 81 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.421 85.7 121.0 -94.9 -0.3 -54.7 13.4 -64.3 280 283 A H S X S- 0 0 18 -3,-1.5 3,-2.2 -4,-0.3 4,-0.1 -0.363 75.5-118.0 -64.2 141.5 -52.9 14.9 -61.3 281 284 A P G > S+ 0 0 78 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.667 105.6 80.9 -56.4 -15.3 -49.0 14.8 -61.5 282 285 A F G 3 S+ 0 0 2 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.857 93.3 50.9 -58.6 -29.2 -48.9 12.6 -58.4 283 286 A F G X S+ 0 0 11 -3,-2.2 3,-1.5 -6,-0.2 -1,-0.3 0.278 74.3 105.2 -94.3 11.2 -49.7 9.7 -60.9 284 287 A Q T < S+ 0 0 161 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.899 93.4 32.1 -55.8 -42.4 -47.0 10.4 -63.5 285 288 A D T 3 S+ 0 0 86 -3,-0.4 -1,-0.3 -4,-0.3 2,-0.1 -0.083 87.3 146.1-107.9 31.1 -44.9 7.5 -62.3 286 289 A V < + 0 0 39 -3,-1.5 2,-0.2 -184,-0.1 -186,-0.1 -0.454 17.4 166.9 -70.8 143.2 -47.8 5.2 -61.2 287 290 A T - 0 0 84 -188,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.723 39.5-108.3-138.4-173.7 -47.2 1.4 -61.6 288 291 A K - 0 0 125 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.696 36.1-176.7-128.2 79.6 -49.0 -1.7 -60.4 289 292 A P - 0 0 37 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.214 27.7-119.7 -67.9 166.4 -46.9 -3.5 -57.8 290 293 A V - 0 0 106 3,-0.0 -155,-0.1 -154,-0.0 2,-0.1 -0.936 29.1-128.5-108.2 132.6 -48.1 -6.8 -56.4 291 294 A P - 0 0 14 0, 0.0 2,-1.1 0, 0.0 -155,-0.1 -0.402 16.1-114.2 -79.1 157.8 -48.7 -6.8 -52.7 292 295 A H - 0 0 166 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.790 44.9-170.1 -90.6 100.9 -47.3 -9.4 -50.3 293 296 A L - 0 0 24 -2,-1.1 2,-0.7 -159,-0.1 -159,-0.0 -0.811 20.1-158.5-102.9 133.9 -50.5 -11.0 -49.1 294 297 A R 0 0 202 -2,-0.5 -204,-0.0 1,-0.2 -2,-0.0 -0.925 360.0 360.0-108.1 109.8 -50.8 -13.5 -46.3 295 298 A L 0 0 133 -2,-0.7 -1,-0.2 -213,-0.0 -2,-0.0 0.781 360.0 360.0-105.5 360.0 -54.0 -15.5 -46.7