==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUN-12 4FV8 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX-CRYSTALLOGRAPHERS . 334 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 59.6 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 . 42 12.6 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 . 14 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 30.2 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 2 2 0 1 0 1 1 1 1 0 0 0 2 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 0 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 . 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 6 A G 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.8 -23.3 17.2 -8.5 2 7 A A - 0 0 107 1,-0.2 13,-0.0 0, 0.0 0, 0.0 0.657 360.0-130.7 -91.1 -19.7 -23.6 18.0 -4.8 3 8 A G - 0 0 53 2,-0.0 -1,-0.2 10,-0.0 12,-0.1 -0.275 50.4 -25.2 89.6 179.3 -19.8 18.6 -4.3 4 9 A P - 0 0 82 0, 0.0 9,-0.1 0, 0.0 2,-0.1 -0.361 69.2-115.6 -67.9 142.7 -17.6 17.0 -1.6 5 10 A E - 0 0 54 7,-0.2 7,-2.7 6,-0.0 2,-0.3 -0.379 31.4-156.1 -71.7 152.4 -19.3 15.9 1.7 6 11 A M E -A 11 0A 129 5,-0.2 2,-0.4 6,-0.1 5,-0.2 -0.984 14.3-168.6-134.0 146.4 -18.3 17.7 4.9 7 12 A V E > S-A 10 0A 15 3,-2.6 3,-2.1 -2,-0.3 15,-0.0 -0.988 76.6 -20.2-137.1 123.2 -18.3 16.9 8.7 8 13 A R T 3 S- 0 0 170 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.856 126.7 -49.7 44.9 54.0 -17.7 19.6 11.4 9 14 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.417 118.8 108.7 71.2 2.0 -16.0 22.0 9.0 10 15 A Q E < S-A 7 0A 106 -3,-2.1 -3,-2.6 1,-0.0 -1,-0.2 -0.822 77.1-104.4-109.1 149.4 -13.6 19.3 7.7 11 16 A V E +A 6 0A 59 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.454 32.8 177.6 -70.4 138.5 -13.7 17.6 4.2 12 17 A F - 0 0 0 -7,-2.7 2,-2.0 -2,-0.1 3,-0.3 -0.493 9.4-174.5-142.5 62.1 -15.2 14.0 4.3 13 18 A D + 0 0 82 1,-0.2 82,-0.1 -9,-0.1 -7,-0.1 -0.386 40.5 120.0 -67.7 69.4 -15.0 13.3 0.5 14 19 A V > + 0 0 1 -2,-2.0 4,-1.7 4,-0.2 3,-0.3 0.450 49.6 142.2-115.1 -7.7 -16.7 9.8 0.4 15 20 A G T 4 + 0 0 29 -3,-0.3 4,-0.1 1,-0.2 -10,-0.0 -0.296 40.5 34.1 -74.0 161.4 -19.7 10.7 -1.9 16 21 A P T 4 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 -0.998 129.0 36.0 -84.5 -11.5 -21.5 9.8 -4.2 17 22 A R T 4 S+ 0 0 72 -3,-0.3 21,-2.2 1,-0.2 2,-0.6 0.912 122.3 45.4 -67.1 -42.6 -21.4 6.2 -2.9 18 23 A Y E < S+B 37 0B 2 -4,-1.7 -4,-0.2 19,-0.2 19,-0.2 -0.915 74.5 144.4-111.7 116.1 -21.4 7.2 0.8 19 24 A T E +B 36 0B 31 17,-1.9 17,-3.2 -2,-0.6 -2,-0.0 -0.619 38.3 63.8-131.7-170.7 -23.8 9.9 2.0 20 25 A N E S- 0 0 106 15,-0.2 -1,-0.1 -2,-0.2 2,-0.1 0.921 73.3-162.4 49.4 54.0 -26.0 10.9 5.0 21 26 A L E - 0 0 34 14,-0.1 2,-0.4 -3,-0.1 14,-0.2 -0.418 14.9-171.5 -69.5 141.2 -22.8 11.3 7.3 22 27 A S E -B 34 0B 60 12,-1.9 12,-2.8 -2,-0.1 2,-0.1 -0.985 25.4-119.2-138.9 120.8 -23.1 11.3 11.0 23 28 A Y E +B 33 0B 67 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.337 33.0 169.2 -61.9 135.3 -20.2 12.1 13.3 24 29 A I E - 0 0 67 8,-2.6 2,-0.3 1,-0.4 9,-0.2 0.739 55.5 -66.2-110.9 -50.9 -19.0 9.4 15.8 25 30 A G E -B 32 0B 21 7,-1.7 7,-3.4 2,-0.0 -1,-0.4 -0.972 41.4-121.9 174.0 177.5 -15.6 10.8 17.1 26 31 A E E -B 31 0B 119 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.999 9.3-163.1-150.0 152.8 -12.0 11.7 16.4 27 32 A G - 0 0 51 3,-2.5 3,-0.3 -2,-0.3 -2,-0.0 -0.392 53.6 -67.2-113.4-168.5 -8.4 11.1 17.3 28 33 A A S S+ 0 0 93 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.741 129.8 4.7 -57.7 -34.1 -5.0 12.9 16.8 29 34 A Y S S+ 0 0 57 19,-0.1 21,-2.7 1,-0.1 2,-0.3 0.159 123.7 62.9-143.0 23.8 -5.0 12.4 12.9 30 35 A G E - C 0 49B 23 -3,-0.3 -3,-2.5 19,-0.2 2,-0.3 -0.983 52.1-156.6-150.6 156.3 -8.3 10.7 12.2 31 36 A M E -BC 26 48B 10 17,-1.6 17,-3.6 -2,-0.3 2,-0.4 -0.996 13.5-151.0-133.8 136.1 -12.2 11.2 12.3 32 37 A V E +BC 25 47B 42 -7,-3.4 -8,-2.6 -2,-0.3 -7,-1.7 -0.937 20.5 166.1-115.0 132.6 -14.8 8.5 12.3 33 38 A C E -BC 23 46B 0 13,-2.4 13,-3.1 -2,-0.4 2,-0.3 -0.905 32.6-124.2-131.8 163.6 -18.4 8.8 10.9 34 39 A S E -BC 22 45B 13 -12,-2.8 -12,-1.9 -2,-0.3 2,-0.3 -0.756 36.2-178.5-101.6 152.1 -21.3 6.5 10.0 35 40 A A E - C 0 44B 0 9,-2.1 9,-2.9 -2,-0.3 2,-0.5 -0.987 30.2-110.5-149.8 159.1 -22.6 6.7 6.4 36 41 A Y E -BC 19 43B 80 -17,-3.2 -17,-1.9 -2,-0.3 2,-0.7 -0.822 24.7-149.0 -94.4 126.9 -25.2 5.3 4.1 37 42 A D E >> -BC 18 42B 2 5,-2.6 4,-1.7 -2,-0.5 5,-0.7 -0.865 4.5-163.6 -95.4 110.4 -23.9 3.0 1.3 38 43 A N T 45S+ 0 0 82 -21,-2.2 -1,-0.1 -2,-0.7 -20,-0.1 0.480 87.1 52.4 -74.9 -2.4 -26.2 3.4 -1.7 39 44 A V T 45S+ 0 0 86 -22,-0.2 -1,-0.2 3,-0.1 -21,-0.0 0.890 121.7 25.3 -93.3 -58.9 -24.8 0.1 -3.2 40 45 A N T 45S- 0 0 108 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.571 100.5-133.6 -84.6 -8.1 -25.2 -2.3 -0.3 41 46 A K T <5 + 0 0 153 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.879 67.6 105.3 55.2 49.9 -28.1 -0.2 1.1 42 47 A V E + 0 0 0 0, 0.0 3,-1.5 0, 0.0 7,-0.4 0.502 33.5 101.0-104.0 -4.3 -1.1 10.5 8.1 52 57 A F T 3 S+ 0 0 29 40,-0.4 271,-0.1 1,-0.3 41,-0.1 0.553 70.3 67.6 -68.4 -8.9 1.2 12.0 5.5 53 58 A E T 3 S+ 0 0 150 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.788 104.8 45.5 -77.9 -26.3 2.9 14.6 7.7 54 59 A H <> - 0 0 75 -3,-1.5 4,-1.7 1,-0.1 -1,-0.1 -0.962 66.5-144.6-128.0 140.2 4.7 11.9 9.8 55 60 A Q H > S+ 0 0 49 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.872 104.7 52.6 -61.1 -44.1 6.6 8.7 9.0 56 61 A T H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 109.3 48.7 -63.7 -39.6 5.2 6.9 12.1 57 62 A Y H > S+ 0 0 55 -6,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.851 111.3 51.3 -66.5 -35.5 1.6 7.7 11.1 58 63 A C H X S+ 0 0 0 -4,-1.7 4,-2.2 -7,-0.4 -2,-0.2 0.913 110.4 48.1 -66.4 -46.3 2.3 6.4 7.6 59 64 A Q H X S+ 0 0 9 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.929 112.3 49.5 -55.3 -53.6 3.8 3.1 9.0 60 65 A R H X S+ 0 0 74 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.874 111.1 48.9 -54.7 -47.3 0.7 2.7 11.3 61 66 A T H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.906 114.3 45.2 -62.6 -45.6 -1.8 3.3 8.3 62 67 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.894 112.3 51.7 -67.1 -42.1 0.1 0.8 6.0 63 68 A R H X S+ 0 0 12 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.934 111.9 45.4 -60.0 -50.0 0.3 -1.9 8.8 64 69 A E H X S+ 0 0 6 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.921 114.2 48.2 -60.7 -48.0 -3.4 -1.8 9.7 65 70 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.942 116.2 43.6 -58.2 -50.5 -4.5 -1.8 6.0 66 71 A K H X S+ 0 0 61 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.912 117.9 45.1 -62.9 -44.8 -2.1 -4.8 5.2 67 72 A I H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 3,-0.2 0.945 115.5 44.5 -65.5 -51.6 -3.1 -6.7 8.4 68 73 A L H < S+ 0 0 3 -4,-3.1 11,-0.4 1,-0.2 -1,-0.2 0.804 111.8 53.0 -68.9 -27.8 -6.9 -6.2 8.2 69 74 A L H < S+ 0 0 36 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.847 115.6 41.2 -72.9 -32.6 -7.0 -7.1 4.5 70 75 A R H < S+ 0 0 130 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.1 0.916 101.1 85.2 -77.5 -46.7 -5.1 -10.3 5.2 71 76 A F < - 0 0 12 -4,-2.9 2,-0.3 -5,-0.1 62,-0.0 -0.285 51.8-178.3 -63.7 138.6 -7.1 -11.2 8.4 72 77 A R + 0 0 215 6,-0.1 2,-0.3 -2,-0.0 5,-0.1 -0.885 28.0 126.7-140.5 99.0 -10.5 -13.1 8.1 73 78 A H > - 0 0 23 3,-0.4 3,-1.7 -2,-0.3 56,-0.0 -0.947 60.0-126.9-159.0 141.0 -12.2 -13.7 11.5 74 79 A E T 3 S+ 0 0 125 -2,-0.3 55,-0.1 1,-0.3 -1,-0.0 0.694 111.6 50.1 -58.5 -28.2 -15.7 -13.1 13.0 75 80 A N T 3 S+ 0 0 5 82,-0.1 83,-2.6 53,-0.1 2,-0.4 0.152 101.0 74.0-103.7 21.1 -14.2 -11.3 16.1 76 81 A I B < S-f 158 0C 9 -3,-1.7 -3,-0.4 81,-0.3 83,-0.2 -1.000 84.0-118.1-134.7 127.9 -11.9 -8.9 14.0 77 82 A I - 0 0 3 81,-2.6 2,-0.1 -2,-0.4 -6,-0.1 -0.354 32.8-150.8 -64.2 141.1 -13.1 -5.9 12.0 78 83 A G - 0 0 23 -2,-0.0 2,-0.5 -6,-0.0 21,-0.2 -0.431 15.1-115.8-101.8-178.6 -12.5 -6.1 8.3 79 84 A I + 0 0 17 -11,-0.4 19,-0.2 -2,-0.1 3,-0.1 -0.990 29.4 175.0-120.9 114.1 -11.9 -3.5 5.6 80 85 A N - 0 0 76 17,-2.8 2,-0.3 -2,-0.5 18,-0.2 0.769 66.6 -2.6 -87.8 -35.3 -14.7 -3.5 3.0 81 86 A D E -E 97 0B 21 16,-1.3 16,-3.2 2,-0.0 2,-0.4 -0.975 56.2-149.8-156.0 154.5 -13.6 -0.5 0.9 82 87 A I E -E 96 0B 1 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.990 10.5-162.8-134.4 127.7 -10.9 2.2 0.8 83 88 A I E +E 95 0B 37 12,-2.6 12,-3.1 -2,-0.4 2,-0.3 -0.921 24.6 141.2-111.1 135.1 -11.3 5.7 -0.7 84 89 A R - 0 0 20 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.925 53.9 -68.8-158.3 170.3 -8.4 8.0 -1.6 85 90 A A - 0 0 24 8,-0.5 6,-0.1 -2,-0.3 4,-0.0 -0.233 41.5-116.9 -66.0 154.3 -7.6 10.6 -4.4 86 91 A P S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.753 98.2 42.6 -65.3 -25.2 -6.9 9.4 -8.1 87 92 A T S >> S- 0 0 54 1,-0.1 4,-0.9 0, 0.0 3,-0.6 -0.916 79.4-126.9-122.1 153.7 -3.3 10.6 -8.0 88 93 A I G >4 S+ 0 0 47 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.854 110.6 60.2 -63.0 -36.3 -0.5 10.4 -5.4 89 94 A E G 34 S+ 0 0 136 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.802 110.9 40.2 -61.7 -33.6 -0.0 14.3 -5.6 90 95 A Q G <4 S+ 0 0 120 -3,-0.6 2,-0.8 2,-0.0 -1,-0.2 0.545 88.7 107.1 -91.6 -14.9 -3.7 14.8 -4.5 91 96 A M << + 0 0 0 -4,-0.9 3,-0.1 -3,-0.5 236,-0.1 -0.600 24.7 139.2 -73.1 108.4 -3.8 12.1 -1.8 92 97 A K + 0 0 115 -2,-0.8 -40,-0.4 1,-0.2 2,-0.3 0.457 68.1 37.0-120.1 -15.5 -3.8 13.8 1.6 93 98 A D - 0 0 36 -3,-0.2 -8,-0.5 -43,-0.1 2,-0.4 -0.939 61.4-152.6-138.2 156.4 -6.3 11.5 3.3 94 99 A V E -D 49 0B 0 -45,-2.6 -45,-2.7 -2,-0.3 2,-0.6 -0.999 12.0-156.6-130.4 126.9 -7.2 7.8 3.3 95 100 A Y E -DE 48 83B 9 -12,-3.1 -12,-2.6 -2,-0.4 2,-0.5 -0.943 4.9-161.9-109.3 115.6 -10.8 6.6 4.1 96 101 A I E -DE 47 82B 0 -49,-2.4 -49,-2.3 -2,-0.6 2,-0.5 -0.866 7.0-151.9-102.1 125.0 -11.2 3.1 5.4 97 102 A V E +DE 46 81B 0 -16,-3.2 -17,-2.8 -2,-0.5 -16,-1.3 -0.864 24.6 165.0 -99.8 123.0 -14.8 1.7 5.1 98 103 A Q E -D 45 0B 19 -53,-2.6 -53,-3.1 -2,-0.5 -19,-0.1 -0.853 43.8 -73.3-133.8 165.3 -15.8 -1.0 7.7 99 104 A D E -D 44 0B 70 -2,-0.3 2,-0.5 -55,-0.2 -55,-0.2 -0.358 49.9-120.1 -61.2 136.8 -18.9 -2.7 9.1 100 105 A L - 0 0 71 -57,-0.6 2,-0.3 -65,-0.1 -1,-0.1 -0.738 29.7-168.0 -85.5 123.7 -21.0 -0.5 11.4 101 106 A M - 0 0 24 -2,-0.5 50,-0.2 50,-0.1 3,-0.1 -0.741 29.2-118.7-106.2 152.5 -21.4 -1.9 15.0 102 107 A E S S- 0 0 126 48,-0.4 2,-0.3 -2,-0.3 49,-0.2 0.829 81.0 -28.3 -64.9 -36.2 -23.9 -0.4 17.5 103 108 A T E -G 150 0C 31 47,-2.4 47,-3.6 4,-0.0 2,-0.3 -0.940 58.0-106.5-163.9 179.3 -21.3 0.7 20.1 104 109 A D E > -G 149 0C 21 45,-0.3 4,-1.8 -2,-0.3 45,-0.2 -0.757 37.7-108.6-114.9 166.5 -17.9 0.1 21.7 105 110 A L H > S+ 0 0 0 43,-2.3 4,-2.2 40,-1.4 41,-0.2 0.748 115.9 62.2 -69.8 -23.1 -17.2 -1.5 25.2 106 111 A Y H > S+ 0 0 112 39,-0.7 4,-0.8 42,-0.3 -1,-0.2 0.965 108.9 40.2 -63.7 -51.3 -16.1 1.9 26.5 107 112 A K H > S+ 0 0 88 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.858 115.1 52.5 -66.5 -38.3 -19.5 3.5 25.9 108 113 A L H >X S+ 0 0 4 -4,-1.8 4,-2.8 1,-0.2 3,-0.8 0.910 109.0 48.5 -65.7 -43.7 -21.4 0.3 27.1 109 114 A L H 3< S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.666 107.1 58.4 -70.7 -16.7 -19.4 0.2 30.5 110 115 A K H 3< S+ 0 0 160 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.695 123.4 20.0 -80.9 -24.6 -20.2 3.9 31.0 111 116 A T H << S+ 0 0 106 -3,-0.8 2,-0.4 -4,-0.8 -2,-0.2 0.546 117.2 58.3-122.6 -16.5 -24.0 3.3 30.8 112 117 A Q < - 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