==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-FEB-12 4DLJ . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,M.TERMATHE . 336 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 62.2 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 . 41 12.2 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 0.6 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 . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.6 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 . 2 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 3 1 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 . 0 3 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 4 A E 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 82.7 -23.6 6.6 -3.9 2 5 A R - 0 0 120 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.661 360.0-128.6 -76.8 126.8 -23.8 3.3 -6.1 3 6 A P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.040 15.9-107.6 -71.5 173.5 -23.6 4.0 -9.9 4 7 A T - 0 0 80 2,-0.0 15,-2.8 0, 0.0 2,-0.2 -0.930 32.7-154.5-111.5 126.9 -25.8 2.8 -12.7 5 8 A F E -A 18 0A 28 -2,-0.5 2,-0.3 13,-0.3 11,-0.1 -0.644 7.4-162.9 -98.8 150.9 -24.5 0.1 -15.1 6 9 A Y E -A 17 0A 59 11,-2.7 11,-2.0 -2,-0.2 2,-0.1 -0.967 13.5-138.0-129.2 153.1 -25.3 -0.8 -18.7 7 10 A R + 0 0 139 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.352 25.7 156.6-105.0-174.8 -24.6 -4.0 -20.6 8 11 A Q - 0 0 69 -2,-0.1 7,-3.0 2,-0.0 2,-0.5 -0.787 35.1-118.8 159.0 144.0 -23.4 -4.7 -24.1 9 12 A E E +B 14 0B 131 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.955 26.5 179.1-113.1 130.3 -21.6 -7.5 -25.9 10 13 A L E > -B 13 0B 23 3,-2.9 3,-1.5 -2,-0.5 -2,-0.0 -0.993 68.9 -21.4-128.0 124.8 -18.2 -7.0 -27.6 11 14 A N T 3 S- 0 0 135 -2,-0.4 -1,-0.2 1,-0.3 3,-0.0 0.920 129.4 -41.0 42.2 70.5 -16.4 -9.8 -29.3 12 15 A K T 3 S+ 0 0 93 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.482 120.7 103.5 65.5 5.3 -18.1 -12.8 -27.6 13 16 A T E < -B 10 0B 46 -3,-1.5 -3,-2.9 2,-0.0 2,-0.4 -0.962 65.8-132.3-130.7 132.8 -18.0 -11.0 -24.1 14 17 A I E -B 9 0B 83 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.643 20.4-165.6 -76.5 124.2 -20.5 -9.2 -21.9 15 18 A W - 0 0 5 -7,-3.0 2,-0.6 -2,-0.4 -2,-0.0 -0.953 7.2-176.7-112.4 114.3 -19.4 -5.8 -20.5 16 19 A E + 0 0 36 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.0 -0.954 22.3 158.9-104.7 113.8 -21.3 -4.3 -17.7 17 20 A V E -A 6 0A 1 -11,-2.0 -11,-2.7 -2,-0.6 2,-0.2 -0.909 45.3 -88.7-133.5 161.8 -19.9 -0.9 -16.8 18 21 A P E > -A 5 0A 7 0, 0.0 3,-3.0 0, 0.0 -13,-0.3 -0.505 41.1-115.9 -68.7 134.8 -20.9 2.4 -15.1 19 22 A E T 3 S+ 0 0 100 -15,-2.8 22,-0.1 1,-0.3 -14,-0.1 0.715 108.3 79.8 -43.5 -34.8 -22.6 4.9 -17.4 20 23 A R T 3 S+ 0 0 49 -16,-0.2 21,-3.1 20,-0.1 2,-0.6 0.813 85.3 66.7 -40.5 -38.0 -19.6 7.2 -16.8 21 24 A Y E < S+C 40 0C 0 -3,-3.0 2,-0.3 19,-0.2 19,-0.2 -0.844 72.7 172.3 -98.6 124.6 -17.7 5.2 -19.3 22 25 A Q E +C 39 0C 69 17,-2.7 17,-3.8 -2,-0.6 -2,-0.0 -0.846 45.4 31.8-130.5 163.0 -19.0 5.5 -22.8 23 26 A N E - 0 0 117 -2,-0.3 2,-0.2 15,-0.2 -1,-0.1 0.832 69.9-158.9 56.8 46.5 -18.1 4.5 -26.4 24 27 A L E - 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.319 10.6-173.4 -60.2 115.2 -16.4 1.3 -25.6 25 28 A S E -C 37 0C 54 12,-3.5 12,-2.4 -2,-0.2 -1,-0.1 -0.917 24.8-125.5-114.1 111.8 -14.0 0.3 -28.4 26 29 A P E +C 36 0C 55 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.297 35.6 167.1 -61.9 131.4 -12.3 -3.1 -28.3 27 30 A V E - 0 0 86 8,-2.0 2,-0.3 1,-0.4 9,-0.2 0.350 56.5 -22.7-125.6 -0.3 -8.5 -2.6 -28.6 28 31 A G E -C 35 0C 39 7,-0.8 7,-1.9 2,-0.0 -1,-0.4 -0.909 47.1-160.3 166.0 169.3 -7.1 -6.0 -27.6 29 32 A S E +C 34 0C 108 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.965 12.3 161.0-165.3 156.5 -7.4 -9.3 -25.8 30 33 A G - 0 0 56 3,-0.9 3,-0.1 -2,-0.3 -2,-0.0 -0.829 60.8 -74.5-158.3-166.4 -5.2 -12.2 -24.4 31 34 A A S S+ 0 0 95 -2,-0.2 3,-0.1 1,-0.2 0, 0.0 0.593 126.1 58.0 -79.4 -8.3 -5.7 -15.1 -21.8 32 35 A Y S S- 0 0 66 1,-0.4 21,-1.8 20,-0.1 2,-0.3 0.800 122.2 -64.3 -90.5 -32.2 -5.5 -12.6 -18.9 33 36 A G E - D 0 52C 7 19,-0.3 -3,-0.9 -3,-0.1 -1,-0.4 -0.920 47.0 -96.8 165.1 173.3 -8.4 -10.3 -20.0 34 37 A S E -CD 29 51C 23 17,-1.9 17,-3.4 -2,-0.3 2,-0.4 -0.817 27.4-149.2-117.7 164.0 -9.6 -8.0 -22.7 35 38 A V E -CD 28 50C 41 -7,-1.9 -8,-2.0 -2,-0.3 -7,-0.8 -0.964 6.3-165.3-133.5 139.0 -9.5 -4.2 -22.9 36 39 A C E -CD 26 49C 2 13,-2.4 13,-3.0 -2,-0.4 2,-0.3 -0.954 22.7-126.8-121.2 148.5 -11.7 -1.5 -24.4 37 40 A A E +CD 25 48C 0 -12,-2.4 -12,-3.5 -2,-0.4 2,-0.3 -0.683 40.7 173.5 -80.3 146.4 -11.0 2.1 -25.1 38 41 A A E - D 0 47C 0 9,-1.8 9,-2.4 -2,-0.3 2,-0.6 -0.955 36.5-115.7-149.7 161.1 -13.7 4.4 -23.6 39 42 A F E -CD 22 46C 83 -17,-3.8 -17,-2.7 -2,-0.3 2,-0.9 -0.947 25.3-145.5-102.0 120.8 -14.5 8.0 -22.9 40 43 A D E >>> -CD 21 45C 0 5,-2.6 4,-2.5 -2,-0.6 3,-0.6 -0.800 9.2-165.4 -83.6 105.6 -14.7 8.8 -19.2 41 44 A T T 345S+ 0 0 80 -21,-3.1 -1,-0.1 -2,-0.9 -20,-0.1 0.664 84.1 60.3 -68.6 -14.7 -17.5 11.4 -19.0 42 45 A K T 345S+ 0 0 137 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.862 123.3 16.5 -80.7 -36.1 -16.5 12.3 -15.4 43 46 A T T <45S- 0 0 39 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.463 94.0-127.9-115.5 -10.1 -12.9 13.4 -16.3 44 47 A G T <5 + 0 0 42 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.653 66.7 132.3 66.5 15.4 -13.3 13.8 -20.1 45 48 A L E < -D 40 0C 53 -5,-0.5 -5,-2.6 1,-0.0 2,-0.5 -0.675 64.1-115.1 -96.3 149.8 -10.2 11.6 -20.5 46 49 A R E -D 39 0C 118 -2,-0.3 59,-2.1 -7,-0.2 2,-0.2 -0.757 46.4-177.7 -81.9 127.2 -9.8 8.7 -22.9 47 50 A V E -DE 38 104C 0 -9,-2.4 -9,-1.8 -2,-0.5 2,-0.5 -0.751 29.4-126.1-121.5 168.3 -9.4 5.5 -20.8 48 51 A A E -DE 37 103C 13 55,-3.4 55,-2.3 -2,-0.2 2,-0.5 -0.981 18.9-162.0-113.3 128.2 -8.7 1.8 -21.0 49 52 A V E -DE 36 102C 0 -13,-3.0 -13,-2.4 -2,-0.5 2,-0.5 -0.931 8.5-161.4-104.9 122.6 -11.2 -0.5 -19.3 50 53 A K E -DE 35 101C 34 51,-3.5 51,-2.3 -2,-0.5 2,-0.6 -0.913 5.2-158.6-107.0 131.1 -9.8 -4.0 -18.7 51 54 A K E -DE 34 100C 17 -17,-3.4 -17,-1.9 -2,-0.5 2,-0.2 -0.946 23.5-127.5-107.1 118.5 -12.1 -6.9 -18.0 52 55 A L E -D 33 0C 8 47,-2.5 2,-0.5 -2,-0.6 47,-0.3 -0.446 18.2-130.1 -66.8 128.0 -10.3 -9.7 -16.3 53 56 A S S S- 0 0 48 -21,-1.8 -1,-0.1 -2,-0.2 45,-0.0 -0.690 79.3 -21.8 -76.5 124.8 -10.8 -13.0 -18.0 54 57 A R S > S+ 0 0 159 -2,-0.5 3,-2.2 1,-0.1 4,-0.3 0.785 75.0 179.2 52.4 45.2 -11.9 -15.8 -15.5 55 58 A P T 3 S+ 0 0 11 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.725 75.7 31.4 -57.9 -24.4 -10.6 -14.0 -12.4 56 59 A F T 3 S+ 0 0 23 41,-0.2 -2,-0.1 1,-0.1 266,-0.1 0.099 78.0 120.1-125.9 27.8 -11.6 -16.7 -9.9 57 60 A Q S < S- 0 0 105 -3,-2.2 2,-0.3 2,-0.0 -1,-0.1 0.905 85.5 -5.6 -56.4 -49.4 -11.4 -19.9 -11.9 58 61 A S S > S- 0 0 41 -4,-0.3 4,-3.2 -3,-0.1 5,-0.3 -0.836 79.1 -94.3-137.6 175.4 -8.8 -21.5 -9.6 59 62 A I H > S+ 0 0 78 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.900 126.8 53.2 -57.1 -41.6 -6.7 -20.7 -6.6 60 63 A I H > S+ 0 0 109 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.901 113.8 41.9 -59.7 -43.1 -3.8 -19.7 -9.0 61 64 A H H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.928 114.4 49.4 -71.7 -52.5 -6.2 -17.3 -10.9 62 65 A A H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.874 113.1 47.9 -54.9 -37.7 -7.9 -15.8 -7.9 63 66 A K H X S+ 0 0 28 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.817 111.0 51.6 -76.4 -30.1 -4.4 -15.2 -6.3 64 67 A R H X S+ 0 0 122 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.865 110.1 49.8 -61.6 -42.6 -3.2 -13.7 -9.6 65 68 A T H X S+ 0 0 7 -4,-2.6 4,-2.4 -10,-0.4 -2,-0.2 0.923 110.7 48.1 -66.1 -43.7 -6.3 -11.3 -9.6 66 69 A Y H X S+ 0 0 16 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.921 112.9 49.4 -66.2 -41.9 -5.7 -10.2 -6.1 67 70 A R H X S+ 0 0 75 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.869 111.0 48.8 -63.7 -44.1 -2.0 -9.6 -6.8 68 71 A E H X S+ 0 0 32 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.918 113.1 47.7 -61.2 -42.3 -2.8 -7.6 -10.0 69 72 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.944 113.0 48.9 -66.6 -41.4 -5.4 -5.5 -8.1 70 73 A R H X S+ 0 0 28 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.907 112.4 46.9 -65.2 -46.7 -2.9 -4.9 -5.2 71 74 A L H X S+ 0 0 54 -4,-2.6 4,-1.8 1,-0.2 3,-0.5 0.935 114.4 46.7 -61.1 -46.5 0.0 -3.8 -7.5 72 75 A L H < S+ 0 0 14 -4,-2.3 11,-0.5 1,-0.2 -2,-0.2 0.913 109.7 53.3 -67.6 -36.9 -2.1 -1.5 -9.5 73 76 A K H < S+ 0 0 36 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.796 111.6 48.1 -66.0 -25.5 -3.7 0.1 -6.4 74 77 A H H < S+ 0 0 31 -4,-1.2 2,-0.4 -3,-0.5 -1,-0.2 0.822 85.7 97.9 -84.2 -34.7 -0.2 0.7 -5.1 75 78 A M < + 0 0 15 -4,-1.8 8,-0.5 6,-0.1 2,-0.1 -0.437 37.9 156.4 -67.2 113.6 1.4 2.3 -8.2 76 79 A K + 0 0 163 -2,-0.4 2,-0.3 6,-0.1 -1,-0.1 -0.571 31.7 102.4-139.0 75.0 1.3 6.1 -7.9 77 80 A H S > S- 0 0 17 3,-0.5 3,-1.4 -2,-0.1 57,-0.0 -0.984 72.7-116.4-160.5 147.0 4.0 7.6 -10.0 78 81 A E T 3 S+ 0 0 110 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.817 113.0 47.4 -65.2 -34.7 4.1 9.3 -13.4 79 82 A N T 3 S+ 0 0 5 83,-0.1 84,-3.0 51,-0.1 2,-0.4 0.304 105.2 69.1 -91.2 7.6 6.3 6.7 -15.1 80 83 A V B < S-g 163 0D 7 -3,-1.4 -3,-0.5 82,-0.3 84,-0.2 -0.980 91.1-104.4-125.9 140.8 4.3 3.7 -13.8 81 84 A I - 0 0 20 82,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.338 44.8-171.5 -61.8 140.2 0.8 2.7 -14.8 82 85 A G - 0 0 17 -4,-0.1 2,-0.6 -6,-0.1 22,-0.2 -0.662 23.6-100.4-129.8-176.4 -1.8 3.5 -12.2 83 86 A L + 0 0 13 -11,-0.5 20,-0.2 -8,-0.5 3,-0.1 -0.925 24.5 176.5-121.0 115.9 -5.4 2.9 -11.5 84 87 A L S S- 0 0 22 18,-2.2 2,-0.3 -2,-0.6 19,-0.2 0.756 76.2 -12.9 -82.0 -31.2 -8.1 5.5 -12.2 85 88 A D E -F 102 0C 22 17,-1.3 17,-3.0 249,-0.1 -1,-0.3 -0.977 50.7-164.3-162.1 156.3 -10.9 3.2 -11.1 86 89 A V E +F 101 0C 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.968 26.4 159.2-141.4 142.3 -11.8 -0.4 -10.4 87 90 A F E -F 100 0C 14 13,-2.3 13,-2.1 -2,-0.3 243,-0.1 -0.943 25.9-153.7-151.5 172.2 -15.3 -1.7 -10.2 88 91 A T - 0 0 13 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.977 23.5-135.1-146.9 147.4 -17.6 -4.6 -10.3 89 92 A P S S+ 0 0 13 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.744 75.8 107.5 -70.0 -18.8 -21.2 -5.0 -11.3 90 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.212 57.1-157.8 -62.9 144.9 -21.9 -7.2 -8.2 91 94 A R S S+ 0 0 166 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.551 77.4 13.3 -98.3 -9.1 -23.8 -5.7 -5.3 92 95 A S S >> S- 0 0 37 1,-0.1 3,-0.7 0, 0.0 4,-0.7 -0.964 83.2 -99.7-157.5 166.6 -22.4 -8.1 -2.8 93 96 A L G >4 S+ 0 0 54 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.879 116.0 62.8 -57.6 -45.2 -19.6 -10.7 -2.4 94 97 A E G 34 S+ 0 0 159 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.0 0.832 112.6 35.4 -55.4 -35.3 -21.9 -13.6 -3.0 95 98 A E G <4 S+ 0 0 92 -3,-0.7 2,-0.5 -6,-0.0 -1,-0.3 0.448 86.9 125.5 -97.6 1.2 -22.6 -12.3 -6.6 96 99 A F << + 0 0 0 -3,-1.3 3,-0.1 -4,-0.7 230,-0.1 -0.442 18.9 131.5 -65.9 112.5 -19.1 -10.9 -7.1 97 100 A N + 0 0 89 -2,-0.5 2,-0.3 1,-0.2 -41,-0.2 0.615 51.6 60.3-130.2 -37.1 -17.8 -12.5 -10.3 98 101 A D - 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