==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-MAY-12 4F9W . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.L.GRUM-TOKARS,G.MINASOV,W.F.ANDERSON,D.M.WATTERSON . 336 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 13.1 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 . 3 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 3 2 0 0 0 1 1 0 1 1 0 1 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 . 1 1 2 0 1 2 0 1 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 0 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 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 5 A R 0 0 187 0, 0.0 2,-0.1 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 143.4 -24.6 -2.8 8.2 2 6 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.328 360.0 -93.2 -82.7 175.0 -24.3 -4.2 11.7 3 7 A T - 0 0 99 -2,-0.1 15,-2.6 2,-0.0 2,-0.3 -0.751 41.8-155.5 -90.3 129.5 -26.2 -3.1 14.8 4 8 A F E -A 17 0A 40 -2,-0.4 2,-0.3 13,-0.3 11,-0.1 -0.705 6.6-162.0-102.5 155.8 -24.4 -0.4 16.9 5 9 A Y E -A 16 0A 47 11,-2.4 11,-1.8 -2,-0.3 2,-0.4 -0.980 12.2-134.9-136.3 154.9 -24.8 0.4 20.5 6 10 A R E +A 15 0A 157 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.860 27.4 152.9-118.4 139.6 -23.8 3.5 22.5 7 11 A Q E -A 14 0A 53 7,-1.9 7,-3.2 -2,-0.4 2,-0.5 -0.991 34.8-121.5-155.6 161.4 -22.1 4.2 25.8 8 12 A E E +A 13 0A 132 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.916 26.6 177.4-110.5 128.9 -20.0 6.8 27.6 9 13 A L E > -A 12 0A 30 3,-3.6 3,-1.9 -2,-0.5 15,-0.0 -0.979 69.7 -19.2-134.0 120.8 -16.6 5.9 29.0 10 14 A N T 3 S- 0 0 131 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.923 128.0 -49.1 48.6 54.8 -14.2 8.4 30.7 11 15 A K T 3 S+ 0 0 201 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.376 120.6 109.7 70.5 -2.4 -16.0 11.4 29.2 12 16 A T E < -A 9 0A 37 -3,-1.9 -3,-3.6 2,-0.0 2,-0.4 -0.836 64.4-133.0-109.2 142.4 -15.9 9.8 25.8 13 17 A I E -A 8 0A 42 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.785 16.8-163.5 -93.8 131.7 -18.7 8.4 23.7 14 18 A W E -A 7 0A 3 -7,-3.2 -7,-1.9 -2,-0.4 2,-0.6 -0.969 10.2-179.4-119.3 118.6 -18.3 5.0 22.1 15 19 A E E +A 6 0A 46 -2,-0.5 -9,-0.2 -9,-0.2 -2,-0.0 -0.940 25.3 156.7-116.0 100.7 -20.6 3.9 19.3 16 20 A V E -A 5 0A 1 -11,-1.8 -11,-2.4 -2,-0.6 -2,-0.0 -0.876 46.3 -91.0-129.2 156.9 -19.6 0.4 18.3 17 21 A P E > -A 4 0A 4 0, 0.0 3,-1.7 0, 0.0 -13,-0.3 -0.326 42.9-111.4 -61.5 151.0 -21.1 -2.7 16.5 18 22 A E T 3 S+ 0 0 92 -15,-2.6 22,-0.1 1,-0.3 -14,-0.1 0.705 109.7 77.0 -57.2 -25.5 -22.7 -5.3 18.9 19 23 A R T 3 S+ 0 0 58 -16,-0.2 21,-2.8 20,-0.1 2,-0.6 0.793 84.0 71.6 -58.1 -28.1 -19.9 -7.8 18.1 20 24 A Y E < S+B 39 0B 0 -3,-1.7 2,-0.2 19,-0.2 19,-0.2 -0.845 71.5 172.6 -95.2 116.3 -17.5 -5.9 20.4 21 25 A Q E +B 38 0B 64 17,-2.7 17,-2.7 -2,-0.6 -2,-0.0 -0.699 45.3 32.0-119.6 169.6 -18.5 -6.3 24.1 22 26 A N E S- 0 0 132 -2,-0.2 -1,-0.2 15,-0.2 2,-0.1 0.876 71.0-161.7 52.0 47.6 -17.2 -5.5 27.6 23 27 A L E + 0 0 15 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.406 12.8 178.8 -61.4 130.7 -15.5 -2.2 26.6 24 28 A S E -B 36 0B 68 12,-2.7 12,-3.5 -2,-0.1 2,-0.1 -0.994 31.9-110.9-137.8 126.1 -13.0 -1.2 29.2 25 29 A P E +B 35 0B 53 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.350 31.4 175.7 -63.3 130.2 -10.8 1.9 29.0 26 30 A V E - 0 0 88 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.631 59.9 -60.4-102.4 -28.1 -7.1 1.2 28.4 27 31 A G E -B 34 0B 40 7,-1.4 7,-2.9 2,-0.0 -1,-0.4 -0.864 42.5-111.5 158.5 168.1 -6.0 4.8 28.1 28 32 A S E -B 33 0B 99 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.943 23.7-171.5-129.3 148.5 -6.2 8.0 26.2 29 33 A G - 0 0 45 3,-3.5 3,-0.1 -2,-0.4 -2,-0.0 -0.721 44.0 -97.8-126.5 178.9 -3.7 9.9 24.0 30 34 A A S S+ 0 0 90 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.756 125.8 39.9 -69.5 -21.3 -3.5 13.2 22.3 31 35 A Y S S- 0 0 102 1,-0.3 21,-2.4 136,-0.1 2,-0.3 0.538 128.1 -28.6-106.7 -12.1 -4.7 11.5 19.1 32 36 A G E - C 0 51B 6 19,-0.3 -3,-3.5 -3,-0.1 2,-0.3 -0.974 55.3-107.3 176.6 175.8 -7.4 9.0 20.4 33 37 A S E -BC 28 50B 13 17,-1.6 17,-2.7 -2,-0.3 2,-0.4 -0.903 27.6-145.0-125.3 155.8 -8.6 6.9 23.2 34 38 A V E -BC 27 49B 34 -7,-2.9 -8,-3.1 -2,-0.3 -7,-1.4 -0.970 11.0-170.9-130.8 137.3 -8.6 3.2 23.5 35 39 A C E -BC 25 48B 1 13,-2.4 13,-3.1 -2,-0.4 2,-0.3 -0.946 21.5-133.5-121.3 143.2 -10.8 0.5 25.0 36 40 A A E +BC 24 47B 11 -12,-3.5 -12,-2.7 -2,-0.4 2,-0.3 -0.727 39.5 166.9 -83.8 145.6 -10.1 -3.2 25.5 37 41 A A E - C 0 46B 6 9,-2.2 9,-2.4 -2,-0.3 2,-0.5 -0.934 37.6-110.0-151.9 170.9 -13.1 -5.2 24.3 38 42 A F E -BC 21 45B 79 -17,-2.7 -17,-2.7 -2,-0.3 2,-1.0 -0.963 22.4-146.1-111.1 125.1 -14.1 -8.8 23.4 39 43 A D E >>> -BC 20 44B 1 5,-3.0 4,-2.9 -2,-0.5 5,-0.8 -0.795 10.3-168.2 -93.9 99.4 -14.8 -9.6 19.8 40 44 A T T 345S+ 0 0 76 -21,-2.8 -1,-0.2 -2,-1.0 -20,-0.1 0.745 82.4 61.4 -59.7 -24.4 -17.6 -12.1 19.9 41 45 A K T 345S+ 0 0 159 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.882 121.2 18.8 -75.2 -36.4 -17.1 -12.9 16.2 42 46 A T T <45S- 0 0 70 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.619 97.1-122.5-106.6 -17.0 -13.5 -14.1 16.5 43 47 A G T <5 + 0 0 43 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.575 69.1 133.3 81.2 11.5 -13.3 -14.9 20.2 44 48 A L E < -C 39 0B 62 -5,-0.8 -5,-3.0 -6,-0.0 2,-0.5 -0.655 61.5-124.5-100.0 151.1 -10.4 -12.5 20.5 45 49 A R E -C 38 0B 171 -2,-0.3 59,-2.2 -7,-0.2 2,-0.3 -0.780 42.3-175.0 -83.0 132.0 -9.6 -9.7 22.9 46 50 A V E -CD 37 103B 0 -9,-2.4 -9,-2.2 -2,-0.5 2,-0.5 -0.802 27.6-129.7-127.0 164.9 -9.1 -6.6 20.9 47 51 A A E -CD 36 102B 14 55,-3.3 55,-2.6 -2,-0.3 2,-0.5 -0.975 22.5-159.5-114.5 132.5 -8.1 -3.0 21.4 48 52 A V E -CD 35 101B 0 -13,-3.1 -13,-2.4 -2,-0.5 2,-0.5 -0.962 2.7-162.4-115.5 121.4 -10.4 -0.4 19.8 49 53 A K E -CD 34 100B 44 51,-2.7 51,-2.7 -2,-0.5 2,-0.7 -0.919 4.4-159.3-108.3 125.5 -9.1 3.1 19.2 50 54 A K E -CD 33 99B 28 -17,-2.7 -17,-1.6 -2,-0.5 49,-0.2 -0.913 25.3-126.6-100.4 113.7 -11.5 5.9 18.6 51 55 A L E -C 32 0B 4 47,-2.5 2,-0.5 -2,-0.7 47,-0.3 -0.333 20.5-126.1 -60.8 140.9 -9.8 8.8 16.7 52 56 A S S S- 0 0 53 -21,-2.4 -1,-0.1 1,-0.2 45,-0.0 -0.778 76.9 -23.3 -92.9 126.8 -10.0 12.1 18.4 53 57 A R S > S- 0 0 169 -2,-0.5 3,-1.4 1,-0.1 -1,-0.2 0.834 75.8-179.9 41.4 56.4 -11.4 15.1 16.3 54 58 A P T 3 S+ 0 0 4 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.698 74.8 30.2 -61.4 -26.4 -10.4 13.3 13.0 55 59 A F T 3 S+ 0 0 25 41,-0.3 -2,-0.1 1,-0.1 268,-0.1 0.012 79.2 118.9-125.5 34.0 -11.6 16.1 10.7 56 60 A Q S < S- 0 0 121 -3,-1.4 2,-0.3 2,-0.0 -1,-0.1 0.727 86.8 -7.3 -70.4 -26.4 -11.2 19.2 12.8 57 61 A S S > S- 0 0 39 -4,-0.2 4,-2.5 -3,-0.1 5,-0.2 -0.911 80.6 -90.0-154.6 178.6 -8.7 20.7 10.3 58 62 A I H > S+ 0 0 86 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.884 126.1 54.0 -66.4 -38.0 -6.8 19.9 7.2 59 63 A I H > S+ 0 0 128 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.952 112.7 41.2 -60.3 -54.0 -3.9 18.7 9.4 60 64 A H H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 115.1 51.3 -59.9 -43.2 -6.2 16.3 11.4 61 65 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.914 112.7 44.5 -62.6 -46.1 -8.0 15.2 8.3 62 66 A K H X S+ 0 0 33 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.893 114.4 50.7 -64.9 -40.4 -4.7 14.4 6.4 63 67 A R H X S+ 0 0 31 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.879 108.4 51.3 -61.3 -45.3 -3.4 12.7 9.5 64 68 A T H X S+ 0 0 2 -4,-2.8 4,-2.4 -10,-0.4 5,-0.2 0.934 112.2 47.0 -59.6 -44.1 -6.5 10.5 9.9 65 69 A Y H X S+ 0 0 16 -4,-2.2 4,-3.2 -5,-0.2 5,-0.2 0.955 112.3 49.9 -63.7 -46.6 -6.1 9.5 6.2 66 70 A R H X S+ 0 0 63 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.913 110.8 49.9 -56.0 -47.0 -2.4 8.8 6.7 67 71 A E H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.922 113.9 44.2 -58.5 -48.0 -3.1 6.7 9.8 68 72 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.926 114.1 49.6 -68.2 -44.2 -5.8 4.6 8.1 69 73 A R H X S+ 0 0 34 -4,-3.2 4,-1.1 -5,-0.2 -2,-0.2 0.924 114.8 45.2 -59.0 -44.1 -3.7 4.2 4.9 70 74 A L H >X S+ 0 0 12 -4,-2.7 4,-2.0 -5,-0.2 3,-0.5 0.947 114.0 47.5 -65.0 -49.8 -0.7 3.1 6.9 71 75 A L H 3< S+ 0 0 10 -4,-2.9 11,-0.7 1,-0.3 -1,-0.2 0.839 109.8 52.8 -63.7 -36.8 -2.6 0.7 9.1 72 76 A K H 3< S+ 0 0 35 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.795 113.4 46.9 -66.6 -25.9 -4.5 -0.9 6.2 73 77 A H H << S+ 0 0 40 -4,-1.1 2,-0.7 -3,-0.5 233,-0.2 0.828 87.8 92.6 -85.0 -32.9 -1.1 -1.5 4.6 74 78 A M < + 0 0 5 -4,-2.0 2,-0.4 6,-0.1 8,-0.4 -0.524 41.4 160.4 -72.7 107.3 0.9 -3.0 7.5 75 79 A K + 0 0 159 -2,-0.7 2,-0.3 6,-0.1 5,-0.1 -0.795 30.7 110.3-128.9 85.9 0.6 -6.8 7.4 76 80 A H B > S-F 79 0C 17 3,-0.6 3,-1.7 -2,-0.4 57,-0.0 -0.982 71.0-118.3-159.7 143.6 3.4 -8.2 9.5 77 81 A E T 3 S+ 0 0 110 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.782 113.7 44.1 -57.2 -30.9 3.7 -10.0 12.8 78 82 A N T 3 S+ 0 0 7 83,-0.1 84,-2.6 51,-0.1 2,-0.4 0.196 103.7 72.0-104.4 15.6 5.8 -7.3 14.4 79 83 A V B < S-Fg 76 162C 4 -3,-1.7 -3,-0.6 82,-0.3 84,-0.2 -0.999 88.6-109.9-131.0 131.1 3.8 -4.3 13.2 80 84 A I + 0 0 11 82,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.378 47.8 175.2 -61.6 133.8 0.4 -3.3 14.5 81 85 A G - 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0 0 126 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.495 53.6-110.6 -61.8 126.0 35.7 20.8 23.1 249 264 A Q - 0 0 161 -2,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.350 39.9-164.6 -59.5 141.1 36.6 17.9 20.8 250 265 A M - 0 0 57 -23,-0.1 -24,-2.2 -3,-0.1 2,-0.1 -0.994 13.2-126.4-135.4 142.1 35.9 14.5 22.3 251 266 A P - 0 0 97 0, 0.0 -26,-0.4 0, 0.0 2,-0.2 -0.463 34.3 -98.2 -82.5 155.8 37.0 10.9 21.5 252 267 A K - 0 0 116 -28,-0.3 -28,-0.2 -2,-0.1 2,-0.1 -0.503 45.2-124.6 -66.6 135.2 34.8 8.0 20.9 253 268 A M - 0 0 83 -30,-2.8 2,-0.8 -2,-0.2 3,-0.1 -0.415 24.5-100.2 -79.4 163.5 34.5 5.9 24.0 254 269 A N >> - 0 0 96 1,-0.2 4,-2.2 -2,-0.1 3,-0.6 -0.754 29.4-159.1 -85.9 110.1 35.3 2.3 24.2 255 270 A F H 3> S+ 0 0 2 -2,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.844 89.4 62.2 -59.5 -37.0 31.9 0.5 24.1 256 271 A A H 34 S+ 0 0 51 1,-0.2 -1,-0.2 2,-0.2 6,-0.2 0.872 110.4 41.9 -56.9 -37.0 33.4 -2.7 25.6 257 272 A N H X4 S+ 0 0 106 -3,-0.6 3,-1.1 2,-0.2 -2,-0.2 0.918 114.6 48.9 -75.8 -45.7 34.2 -0.6 28.7 258 273 A V H 3< S+ 0 0 63 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.840 123.5 31.0 -63.1 -40.1 30.9 1.4 28.8 259 274 A F T >< S+ 0 0 7 -4,-2.7 3,-2.3 -5,-0.2 -1,-0.3 -0.018 87.0 161.7-107.8 27.5 28.7 -1.7 28.5 260 275 A I T < + 0 0 136 -3,-1.1 3,-0.1 1,-0.3 -3,-0.1 -0.163 62.3 35.6 -52.7 137.4 31.1 -4.1 30.2 261 276 A G T 3 S+ 0 0 81 1,-0.5 -1,-0.3 -5,-0.1 -4,-0.1 -0.055 93.2 112.0 104.9 -28.7 29.3 -7.2 31.4 262 277 A A S < S- 0 0 27 -3,-2.3 -1,-0.5 -6,-0.2 -3,-0.0 -0.267 88.4 -81.4 -72.3 161.4 27.0 -7.3 28.4 263 278 A N >> - 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