==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-12 4FUX . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX-CRYSTALLOGRAPHERS . 343 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 59.2 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 . 42 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 . 11 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.6 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 1 2 0 1 1 0 2 1 0 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 . 1 3 2 0 0 3 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 . 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 9 A P 0 0 122 0, 0.0 2,-0.2 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 147.0 25.2 13.0 35.9 2 10 A E - 0 0 44 7,-0.2 7,-3.0 6,-0.0 2,-0.4 -0.475 360.0-149.3 -70.2 132.7 26.5 13.4 32.3 3 11 A M E -A 8 0A 109 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.872 17.1-177.6-110.5 141.8 25.0 16.6 30.6 4 12 A V E > S-A 7 0A 18 3,-2.9 3,-2.0 -2,-0.4 24,-0.1 -0.981 78.7 -11.8-138.0 121.2 24.3 17.1 26.8 5 13 A R T 3 S- 0 0 167 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.741 129.7 -56.9 59.1 28.5 22.9 20.5 25.5 6 14 A G T 3 S+ 0 0 66 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.542 118.1 114.2 80.1 10.1 22.3 21.5 29.2 7 15 A Q E < S-A 4 0A 75 -3,-2.0 -3,-2.9 2,-0.0 -1,-0.3 -0.875 74.7-100.9-114.3 147.3 20.1 18.4 29.6 8 16 A V E +A 3 0A 53 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.418 41.0 163.6 -65.1 130.9 20.6 15.2 31.8 9 17 A F + 0 0 0 -7,-3.0 2,-1.2 -2,-0.2 -7,-0.2 -0.577 11.5 173.7-143.6 63.8 21.8 12.2 29.8 10 18 A D + 0 0 71 1,-0.2 82,-0.1 -9,-0.1 -2,-0.1 -0.690 13.6 160.2 -88.2 97.4 23.1 9.9 32.7 11 19 A V > - 0 0 4 -2,-1.2 4,-1.0 1,-0.4 3,-0.3 0.064 51.8-124.9-102.1 22.5 24.0 6.7 31.1 12 20 A G T 4 - 0 0 43 1,-0.2 -1,-0.4 2,-0.2 3,-0.3 -0.015 44.2 -52.4 62.2-165.0 26.1 5.9 34.1 13 21 A P T 4 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 0.703 125.1 72.8 -80.3 -17.3 29.8 5.1 34.1 14 22 A R T 4 S+ 0 0 75 -3,-0.3 21,-2.6 1,-0.2 2,-0.5 0.886 100.3 47.1 -61.4 -38.7 29.5 2.2 31.5 15 23 A Y E < S+B 34 0B 5 -4,-1.0 -4,-0.3 -3,-0.3 2,-0.2 -0.931 74.9 159.2-113.1 123.5 28.9 4.8 28.7 16 24 A T E +B 33 0B 56 17,-1.9 17,-3.3 -2,-0.5 -2,-0.0 -0.692 40.9 48.6-130.3 178.7 31.1 7.8 28.3 17 25 A N E S- 0 0 71 -2,-0.2 2,-0.2 15,-0.2 -1,-0.2 0.941 72.5-158.9 47.2 68.1 32.3 10.5 25.8 18 26 A L E - 0 0 42 14,-0.1 2,-0.4 -3,-0.1 14,-0.2 -0.478 15.1-168.3 -77.9 140.1 28.8 11.6 24.5 19 27 A S E -B 31 0B 61 12,-1.9 12,-2.3 -2,-0.2 -15,-0.0 -1.000 27.0-116.4-131.4 127.8 28.2 13.3 21.1 20 28 A Y E +B 30 0B 90 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.301 35.2 169.2 -60.7 142.6 24.8 14.8 20.3 21 29 A I E - 0 0 88 8,-2.3 2,-0.3 1,-0.4 9,-0.2 0.653 49.5 -76.2-120.0 -53.9 23.0 13.2 17.3 22 30 A G E -B 29 0B 17 7,-1.5 7,-2.7 5,-0.0 2,-0.5 -0.960 50.6 -59.7 176.9-163.8 19.4 14.6 17.2 23 31 A E E -B 28 0B 107 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.954 39.4-164.1-116.9 120.6 15.9 14.5 18.7 24 32 A G - 0 0 31 3,-3.3 3,-0.3 -2,-0.5 5,-0.1 -0.146 43.4 -87.8 -83.4-175.2 13.8 11.4 18.8 25 33 A A S S+ 0 0 79 1,-0.2 3,-0.1 -2,-0.1 21,-0.1 0.811 127.5 24.9 -67.5 -33.7 10.0 11.3 19.5 26 34 A Y S S- 0 0 28 1,-0.3 21,-2.1 19,-0.2 2,-0.3 0.214 130.8 -47.1-117.4 11.6 10.4 11.0 23.3 27 35 A G S S- 0 0 17 -3,-0.3 -3,-3.3 19,-0.2 -1,-0.3 -0.933 79.4 -19.6 151.4-174.2 13.8 12.7 23.7 28 36 A M E -B 23 0B 2 -2,-0.3 17,-3.1 -5,-0.3 2,-0.4 -0.206 40.3-147.4 -66.9 148.4 17.5 13.2 22.7 29 37 A V E +BC 22 44B 29 -7,-2.7 -8,-2.3 15,-0.2 -7,-1.5 -0.979 23.7 170.2-120.2 129.1 19.8 10.7 20.7 30 38 A C E -BC 20 43B 0 13,-2.9 13,-3.3 -2,-0.4 2,-0.3 -0.941 29.7-130.2-133.1 156.5 23.5 10.6 21.5 31 39 A S E +BC 19 42B 12 -12,-2.3 -12,-1.9 -2,-0.3 2,-0.3 -0.765 34.1 176.7 -98.7 152.6 26.5 8.3 20.5 32 40 A A E - C 0 41B 0 9,-2.4 9,-3.3 -2,-0.3 2,-0.6 -0.976 33.9-103.7-153.4 160.5 28.7 7.1 23.4 33 41 A Y E -BC 16 40B 77 -17,-3.3 -17,-1.9 -2,-0.3 2,-0.8 -0.815 27.5-142.9 -92.8 121.4 31.7 4.8 24.1 34 42 A D E >> -BC 15 39B 0 5,-3.1 4,-1.2 -2,-0.6 5,-0.8 -0.767 10.6-166.1 -83.5 109.0 30.7 1.4 25.6 35 43 A N T 45S+ 0 0 55 -21,-2.6 -1,-0.1 -2,-0.8 -20,-0.1 0.550 84.8 50.4 -75.3 -6.9 33.6 0.7 28.1 36 44 A V T 45S+ 0 0 92 -22,-0.2 -1,-0.2 3,-0.1 -21,-0.0 0.891 121.4 28.0 -94.6 -50.9 32.5 -3.0 28.4 37 45 A N T 45S- 0 0 96 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.476 102.6-130.5 -91.1 -3.0 32.3 -4.0 24.7 38 46 A K T <5 + 0 0 130 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.843 69.6 102.3 55.7 48.4 35.0 -1.4 23.7 39 47 A V E + 0 0 2 0, 0.0 3,-1.3 0, 0.0 7,-0.3 0.401 32.2 102.5-108.8 2.5 7.1 9.0 28.2 49 57 A F T 3 S+ 0 0 20 40,-0.4 282,-0.1 1,-0.3 41,-0.1 0.549 70.6 65.9 -72.6 -6.2 5.6 8.7 31.7 50 58 A E T 3 S+ 0 0 151 -3,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.687 103.7 46.8 -87.3 -16.2 3.3 11.8 31.5 51 59 A H <> - 0 0 110 -3,-1.3 4,-1.2 1,-0.1 -1,-0.1 -0.975 67.3-142.4-133.2 144.0 1.1 10.4 28.7 52 60 A Q H > S+ 0 0 45 -2,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.852 101.7 51.6 -65.0 -44.6 -0.6 7.0 28.0 53 61 A T H > S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.846 110.2 49.3 -65.0 -38.3 -0.0 6.9 24.2 54 62 A Y H > S+ 0 0 104 2,-0.2 4,-1.5 -6,-0.2 -1,-0.2 0.809 112.2 49.3 -70.7 -29.9 3.7 7.6 24.6 55 63 A C H X S+ 0 0 0 -4,-1.2 4,-3.1 -7,-0.3 5,-0.2 0.915 111.0 49.1 -71.2 -46.2 3.8 4.7 27.3 56 64 A Q H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.918 113.2 46.8 -58.5 -48.3 1.9 2.4 24.9 57 65 A R H X S+ 0 0 53 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.823 115.4 46.4 -61.4 -40.1 4.4 3.2 22.0 58 66 A T H X S+ 0 0 9 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.927 115.8 43.9 -70.0 -51.0 7.4 2.7 24.3 59 67 A L H X S+ 0 0 12 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.923 113.7 51.4 -60.8 -47.3 6.2 -0.6 25.9 60 68 A R H X S+ 0 0 37 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.924 114.5 42.7 -54.9 -51.8 5.1 -2.0 22.4 61 69 A E H X S+ 0 0 11 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.891 115.4 48.0 -64.6 -47.1 8.5 -1.2 20.9 62 70 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.972 113.7 48.9 -59.1 -51.3 10.6 -2.5 23.9 63 71 A K H X S+ 0 0 55 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.876 116.9 41.5 -52.0 -49.0 8.4 -5.7 24.0 64 72 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 3,-0.3 0.941 115.5 48.1 -66.8 -52.0 8.9 -6.3 20.2 65 73 A L H < S+ 0 0 4 -4,-3.2 11,-0.4 1,-0.2 -2,-0.2 0.801 112.5 50.2 -66.2 -26.7 12.6 -5.4 20.0 66 74 A L H < S+ 0 0 22 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.798 114.0 43.5 -80.3 -30.4 13.4 -7.6 23.1 67 75 A R H < S+ 0 0 116 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.1 0.878 101.6 81.7 -80.4 -37.0 11.6 -10.7 21.7 68 76 A F < + 0 0 13 -4,-2.5 2,-0.3 -5,-0.1 62,-0.0 -0.393 50.7 177.9 -71.0 143.5 12.9 -10.3 18.1 69 77 A R + 0 0 225 -2,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.847 25.4 134.1-147.7 100.3 16.4 -11.6 17.2 70 78 A H > - 0 0 17 3,-0.5 3,-2.0 -2,-0.3 56,-0.0 -0.961 58.4-127.2-155.5 134.6 17.3 -11.1 13.5 71 79 A E T 3 S+ 0 0 130 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.743 112.9 48.0 -52.0 -31.6 20.4 -9.8 11.7 72 80 A N T 3 S+ 0 0 7 82,-0.1 83,-2.7 2,-0.1 2,-0.4 0.065 101.4 74.7-101.3 20.2 18.2 -7.3 9.7 73 81 A I B < S-f 155 0C 6 -3,-2.0 -3,-0.5 81,-0.3 83,-0.2 -0.998 89.0-113.8-132.2 127.7 16.3 -6.0 12.8 74 82 A I - 0 0 2 81,-2.3 2,-0.2 -2,-0.4 -6,-0.1 -0.368 33.6-145.8 -62.8 132.9 18.0 -3.6 15.3 75 83 A G - 0 0 30 -4,-0.1 2,-0.6 -2,-0.1 21,-0.4 -0.596 12.9-119.2 -95.5 162.8 18.5 -5.2 18.7 76 84 A I - 0 0 19 -11,-0.4 19,-0.2 -2,-0.2 3,-0.1 -0.915 26.4-177.0 -99.6 117.7 18.4 -3.6 22.1 77 85 A N - 0 0 53 17,-3.0 2,-0.3 -2,-0.6 18,-0.2 0.797 66.1 -10.9 -81.4 -36.8 21.9 -4.0 23.8 78 86 A D E -E 94 0B 16 16,-1.1 16,-3.0 2,-0.0 2,-0.4 -0.979 52.6-145.0-163.4 153.9 21.0 -2.4 27.1 79 87 A I E -E 93 0B 1 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.988 17.5-157.6-132.6 121.6 18.3 -0.4 28.8 80 88 A I E +E 92 0B 31 12,-2.8 12,-2.5 -2,-0.4 2,-0.3 -0.891 29.0 136.8-104.5 126.8 19.3 2.2 31.4 81 89 A R - 0 0 22 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.953 55.5 -75.3-157.9 167.1 16.9 3.4 34.1 82 90 A A - 0 0 24 8,-0.4 6,-0.1 -2,-0.3 0, 0.0 -0.255 43.6-116.8 -62.2 153.9 16.7 4.2 37.9 83 91 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.666 96.2 48.0 -71.0 -15.3 16.5 1.1 40.3 84 92 A T S > S- 0 0 48 1,-0.1 4,-0.8 0, 0.0 -2,-0.1 -0.926 79.3-127.2-126.2 152.7 13.0 2.1 41.5 85 93 A I T 4 S+ 0 0 48 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.840 112.2 55.0 -61.6 -36.9 9.7 3.0 39.8 86 94 A E T 4 S+ 0 0 135 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.909 112.1 41.5 -63.7 -46.2 9.6 6.2 42.0 87 95 A Q T 4 S+ 0 0 119 2,-0.0 2,-0.7 -6,-0.0 -1,-0.2 0.563 93.2 102.5 -78.6 -12.8 13.1 7.4 40.9 88 96 A M < + 0 0 0 -4,-0.8 3,-0.1 -3,-0.3 247,-0.1 -0.678 26.6 141.1 -82.0 109.9 12.4 6.4 37.2 89 97 A K + 0 0 136 -2,-0.7 -40,-0.4 1,-0.3 2,-0.3 0.653 67.5 34.1-112.5 -32.7 11.7 9.5 35.1 90 98 A D - 0 0 38 -43,-0.1 -8,-0.4 -42,-0.1 2,-0.4 -0.873 61.8-149.6-127.4 158.5 13.6 8.5 31.9 91 99 A V E -D 46 0B 0 -45,-2.5 -45,-3.1 -2,-0.3 2,-0.5 -0.989 9.8-156.9-127.1 131.0 14.5 5.4 30.0 92 100 A Y E -DE 45 80B 4 -12,-2.5 -12,-2.8 -2,-0.4 2,-0.5 -0.966 5.4-161.4-113.3 118.9 17.7 5.0 27.9 93 101 A I E -DE 44 79B 6 -49,-2.5 -49,-2.3 -2,-0.5 2,-0.4 -0.899 7.2-154.7-102.9 128.1 17.7 2.4 25.1 94 102 A V E +DE 43 78B 0 -16,-3.0 -17,-3.0 -2,-0.5 -16,-1.1 -0.887 20.1 165.0-105.5 130.5 21.2 1.3 23.8 95 103 A Q E -D 42 0B 32 -53,-2.9 -53,-2.9 -2,-0.4 -19,-0.1 -0.912 46.6 -77.7-137.8 161.5 21.7 -0.0 20.3 96 104 A D E -D 41 0B 73 -21,-0.4 2,-0.6 -2,-0.3 -55,-0.2 -0.354 54.2-109.0 -58.4 136.9 24.7 -0.7 18.0 97 105 A L - 0 0 70 -57,-0.9 2,-0.3 -65,-0.1 -1,-0.1 -0.627 36.9-157.6 -73.7 116.5 26.0 2.6 16.4 98 106 A M - 0 0 22 -2,-0.6 50,-0.2 1,-0.1 3,-0.1 -0.747 17.8-131.0 -97.7 144.4 25.0 2.5 12.8 99 107 A E S S- 0 0 103 48,-0.5 2,-0.2 -2,-0.3 49,-0.2 0.904 76.2 -28.7 -59.0 -50.1 26.9 4.7 10.3 100 108 A T E -G 147 0C 32 47,-2.2 47,-2.9 -3,-0.0 2,-0.3 -0.861 57.1-110.0-152.9-178.3 23.8 6.2 8.6 101 109 A D E > -G 146 0C 32 45,-0.3 4,-1.9 -2,-0.2 45,-0.3 -0.817 37.6-109.6-114.9 163.1 20.1 5.6 7.7 102 110 A L H > S+ 0 0 0 43,-2.5 4,-2.4 40,-1.3 41,-0.2 0.796 116.5 64.5 -66.6 -22.5 18.8 5.1 4.1 103 111 A Y H > S+ 0 0 131 39,-0.8 4,-1.0 42,-0.3 -1,-0.2 0.962 107.2 38.3 -59.3 -58.4 17.3 8.7 4.3 104 112 A K H > S+ 0 0 133 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.855 115.8 54.0 -64.6 -38.6 20.7 10.4 4.6 105 113 A L H >X S+ 0 0 19 -4,-1.9 4,-2.1 1,-0.2 3,-0.9 0.907 106.7 51.2 -62.4 -43.3 22.3 8.0 2.1 106 114 A L H 3< S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.732 100.5 64.9 -70.1 -22.2 19.6 8.7 -0.6 107 115 A K H 3< S+ 0 0 76 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.733 123.9 8.9 -70.3 -29.6 20.1 12.6 -0.3 108 116 A T H << S+ 0 0 110 -3,-0.9 2,-0.5 -4,-0.6 -2,-0.2 0.484 113.0 77.2-130.9 -10.0 23.7 12.6 -1.6 109 117 A Q < - 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