==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JUL-12 4G6N . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX CRYSTALLOGRAPHERS . 342 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 61.4 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 12.3 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 0.6 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 . 15 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 128 0, 0.0 9,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 130.8 26.2 12.6 35.6 2 10 A E - 0 0 85 7,-0.2 7,-2.6 10,-0.1 2,-0.3 -0.368 360.0-152.8 -67.0 139.2 27.4 13.3 32.0 3 11 A M E -A 8 0A 109 5,-0.2 2,-0.4 -2,-0.1 5,-0.2 -0.907 6.2-162.6-114.0 140.7 25.8 16.2 30.2 4 12 A V E > -A 7 0A 14 3,-2.3 3,-0.9 -2,-0.3 24,-0.1 -0.975 64.1 -39.1-134.0 118.2 25.5 16.6 26.4 5 13 A R T 3 S- 0 0 86 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.801 132.1 -18.6 35.8 53.0 24.8 19.9 24.5 6 14 A G T 3 S+ 0 0 68 1,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.612 120.0 34.2 131.7 -77.2 22.3 21.1 27.2 7 15 A Q E < S-A 4 0A 87 -3,-0.9 -3,-2.3 -2,-0.3 -1,-0.1 -0.519 86.1 -55.2-118.2-178.9 20.9 18.4 29.5 8 16 A V E +A 3 0A 53 -5,-0.2 -5,-0.2 -2,-0.2 -1,-0.1 -0.280 38.3 165.9 -58.1 128.2 21.4 15.1 31.5 9 17 A F + 0 0 1 -7,-2.6 2,-1.1 -2,-0.1 -7,-0.2 -0.664 14.5 174.4-139.8 67.7 22.6 12.0 29.5 10 18 A D + 0 0 72 -9,-0.1 82,-0.1 1,-0.1 -7,-0.1 -0.726 14.8 158.6 -94.0 99.2 23.6 9.8 32.4 11 19 A V > - 0 0 4 -2,-1.1 4,-1.1 1,-0.3 -1,-0.1 -0.021 51.5-122.5-107.1 24.3 24.5 6.4 31.0 12 20 A G T 4 - 0 0 43 1,-0.2 -1,-0.3 2,-0.2 3,-0.3 0.051 45.3 -52.1 62.4-168.1 26.6 5.5 34.0 13 21 A P T 4 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 0.805 126.1 70.1 -71.5 -29.2 30.3 4.6 34.1 14 22 A R T 4 S+ 0 0 78 1,-0.2 21,-2.4 -3,-0.1 2,-0.6 0.894 98.7 49.2 -55.5 -44.3 29.9 1.8 31.4 15 23 A Y E < S+B 34 0B 2 -4,-1.1 -4,-0.3 -3,-0.3 19,-0.2 -0.884 74.1 154.5-110.1 115.5 29.3 4.3 28.5 16 24 A T E +B 33 0B 36 17,-2.2 17,-3.6 -2,-0.6 -2,-0.0 -0.555 38.9 54.7-123.9-177.0 31.7 7.2 28.1 17 25 A N E S- 0 0 102 15,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.928 73.0-159.2 49.6 63.3 33.1 9.7 25.5 18 26 A L E - 0 0 25 14,-0.1 2,-0.3 -3,-0.1 14,-0.2 -0.440 17.3-175.5 -76.2 143.0 29.6 11.0 24.3 19 27 A S E -B 31 0B 60 12,-1.5 12,-2.5 -2,-0.1 2,-0.2 -0.991 30.1-115.6-140.8 127.6 28.9 12.7 20.9 20 28 A Y E +B 30 0B 108 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.459 34.2 171.1 -66.3 124.6 25.6 14.2 19.8 21 29 A I E - 0 0 84 8,-2.1 2,-0.2 1,-0.3 9,-0.2 0.820 52.2 -80.6 -99.6 -51.0 24.1 12.3 16.7 22 30 A G E -B 29 0B 20 7,-1.2 7,-1.6 0, 0.0 2,-0.4 -0.841 53.0 -57.6-179.7-142.2 20.6 13.9 16.5 23 31 A E E -B 28 0B 150 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.996 32.8-164.8-142.2 134.1 17.1 13.7 18.0 24 32 A G - 0 0 34 3,-3.1 3,-0.1 -2,-0.4 5,-0.1 -0.169 45.0 -85.6 -95.5-168.8 14.5 10.9 18.4 25 33 A A S S+ 0 0 96 1,-0.2 3,-0.1 -2,-0.1 21,-0.1 0.915 125.2 23.6 -69.1 -46.1 10.7 11.1 19.2 26 34 A Y S S- 0 0 27 1,-0.2 21,-2.0 19,-0.1 2,-0.3 0.143 129.1 -40.0-109.9 17.6 11.1 11.2 23.1 27 35 A G S S- 0 0 23 19,-0.2 -3,-3.1 -3,-0.1 -1,-0.2 -0.939 79.0 -23.5 154.2-176.6 14.7 12.6 23.4 28 36 A M E -B 23 0B 8 -2,-0.3 17,-3.1 -5,-0.2 2,-0.4 -0.297 39.8-147.7 -69.1 144.5 18.4 12.9 22.4 29 37 A V E +BC 22 44B 32 -7,-1.6 -8,-2.1 15,-0.2 -7,-1.2 -0.917 22.8 172.8-115.3 136.0 20.5 10.3 20.5 30 38 A C E -BC 20 43B 0 13,-2.5 13,-3.1 -2,-0.4 2,-0.3 -0.971 30.0-128.7-139.8 156.0 24.2 10.0 21.1 31 39 A S E +BC 19 42B 14 -12,-2.5 -12,-1.5 -2,-0.3 2,-0.3 -0.714 36.8 178.4 -96.9 153.3 27.1 7.7 20.2 32 40 A A E - C 0 41B 0 9,-2.3 9,-3.5 -2,-0.3 2,-0.6 -0.994 33.6-107.6-157.5 155.0 29.2 6.4 23.1 33 41 A Y E -BC 16 40B 71 -17,-3.6 -17,-2.2 -2,-0.3 2,-0.7 -0.771 26.5-147.5 -89.5 121.8 32.1 4.2 24.0 34 42 A D E >> -BC 15 39B 1 5,-2.7 4,-1.4 -2,-0.6 5,-0.7 -0.834 7.9-164.9 -87.6 110.1 31.0 0.9 25.7 35 43 A N T 45S+ 0 0 53 -21,-2.4 -1,-0.1 -2,-0.7 -20,-0.1 0.618 84.1 51.2 -74.0 -15.0 33.9 0.1 28.1 36 44 A V T 45S+ 0 0 97 -22,-0.2 -1,-0.1 3,-0.1 -21,-0.0 0.933 122.6 26.6 -86.6 -54.3 32.7 -3.6 28.6 37 45 A N T 45S- 0 0 101 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.623 101.7-133.2 -84.8 -13.4 32.4 -4.7 24.9 38 46 A K T <5 + 0 0 134 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.826 66.4 109.9 63.3 41.2 35.1 -2.0 23.8 39 47 A V E + 0 0 3 0, 0.0 3,-1.0 0, 0.0 7,-0.3 0.460 31.1 105.1-111.2 -3.5 7.8 9.4 27.9 49 57 A F T 3 S+ 0 0 31 40,-0.4 280,-0.1 1,-0.2 3,-0.1 0.558 76.8 59.6 -63.7 -9.4 6.2 9.1 31.4 50 58 A E T 3 S+ 0 0 171 -3,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.831 104.6 49.0 -85.0 -37.3 4.1 12.3 31.1 51 59 A H <> - 0 0 133 -3,-1.0 4,-1.2 1,-0.1 3,-0.2 -0.939 68.9-150.2-113.1 125.1 2.0 11.2 28.0 52 60 A Q H > S+ 0 0 109 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.741 98.9 55.2 -63.3 -26.9 0.3 7.8 27.9 53 61 A T H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 108.4 48.2 -72.3 -40.7 0.6 7.6 24.0 54 62 A Y H > S+ 0 0 28 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.751 112.8 50.4 -65.1 -29.2 4.4 8.1 24.3 55 63 A C H X S+ 0 0 0 -4,-1.2 4,-2.6 -7,-0.3 -2,-0.2 0.878 110.0 49.2 -74.4 -42.9 4.3 5.4 27.0 56 64 A Q H X S+ 0 0 20 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.927 113.3 45.8 -61.5 -50.1 2.3 3.0 24.7 57 65 A R H X S+ 0 0 87 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.855 115.1 47.4 -63.3 -41.0 4.7 3.5 21.8 58 66 A T H X S+ 0 0 13 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.924 116.2 43.5 -66.6 -49.9 7.9 3.1 24.1 59 67 A L H X S+ 0 0 13 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.953 113.8 50.0 -60.2 -53.5 6.4 -0.1 25.8 60 68 A R H X S+ 0 0 48 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.901 115.4 44.3 -53.0 -45.0 5.2 -1.6 22.4 61 69 A E H X S+ 0 0 18 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.883 113.5 49.0 -69.2 -44.0 8.6 -1.0 20.8 62 70 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.966 113.0 48.6 -60.4 -51.8 10.6 -2.3 23.9 63 71 A K H X S+ 0 0 78 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.898 115.7 43.2 -52.1 -51.0 8.4 -5.5 24.0 64 72 A I H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.2 3,-0.3 0.948 115.0 47.0 -64.3 -52.2 8.8 -6.2 20.3 65 73 A L H < S+ 0 0 4 -4,-2.7 11,-0.4 1,-0.2 -1,-0.2 0.838 111.7 52.7 -63.6 -31.3 12.6 -5.5 20.0 66 74 A L H < S+ 0 0 36 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.844 114.2 41.3 -73.4 -32.2 13.3 -7.6 23.1 67 75 A R H < S+ 0 0 139 -4,-1.5 -2,-0.2 -3,-0.3 2,-0.2 0.806 102.8 83.4 -83.1 -28.9 11.4 -10.6 21.7 68 76 A F < + 0 0 13 -4,-2.4 2,-0.3 -5,-0.2 62,-0.0 -0.513 49.9 177.6 -77.6 142.2 12.8 -10.2 18.1 69 77 A R + 0 0 220 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.819 25.9 132.7-144.9 97.8 16.2 -11.6 17.2 70 78 A H > - 0 0 18 3,-0.5 3,-1.7 -2,-0.3 56,-0.0 -0.989 58.4-127.2-150.7 140.7 17.2 -11.0 13.5 71 79 A E T 3 S+ 0 0 126 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.739 112.5 46.9 -56.1 -31.6 20.2 -9.8 11.6 72 80 A N T 3 S+ 0 0 6 82,-0.1 83,-2.9 53,-0.1 2,-0.4 0.116 101.9 75.0-102.0 19.3 18.1 -7.2 9.7 73 81 A I B < S-f 155 0C 7 -3,-1.7 -3,-0.5 81,-0.3 83,-0.2 -0.999 88.6-113.3-131.3 126.2 16.2 -5.9 12.8 74 82 A I - 0 0 2 81,-2.5 2,-0.2 -2,-0.4 -6,-0.1 -0.332 35.4-151.1 -59.8 130.1 17.9 -3.6 15.3 75 83 A G - 0 0 25 -4,-0.1 2,-0.5 -6,-0.0 21,-0.3 -0.485 15.9-115.7 -92.8 173.6 18.3 -5.3 18.7 76 84 A I - 0 0 20 -11,-0.4 19,-0.2 -2,-0.2 3,-0.1 -0.977 28.2-178.5-108.3 119.3 18.4 -3.8 22.2 77 85 A N - 0 0 66 17,-3.0 2,-0.3 -2,-0.5 18,-0.2 0.835 66.5 -11.4 -84.5 -38.3 21.9 -4.4 23.7 78 86 A D E -E 94 0B 18 16,-1.3 16,-2.9 2,-0.0 2,-0.4 -0.978 53.9-143.4-159.7 154.9 21.2 -2.8 27.1 79 87 A I E -E 93 0B 1 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.993 16.2-158.7-129.4 123.0 18.6 -0.6 28.8 80 88 A I E +E 92 0B 31 12,-2.8 12,-2.9 -2,-0.4 2,-0.3 -0.909 30.0 136.2-104.0 124.6 19.8 2.1 31.4 81 89 A R - 0 0 20 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.970 56.3 -75.5-158.5 163.7 17.4 3.4 34.0 82 90 A A - 0 0 25 8,-0.5 6,-0.1 -2,-0.3 0, 0.0 -0.217 44.5-115.6 -58.5 153.1 17.1 4.2 37.7 83 91 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.631 95.5 45.5 -69.5 -13.4 16.9 1.2 40.2 84 92 A T S > S- 0 0 46 1,-0.1 4,-0.9 0, 0.0 3,-0.5 -0.967 79.3-124.6-133.8 151.8 13.3 2.2 41.3 85 93 A I T >4 S+ 0 0 47 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.879 112.3 56.4 -57.3 -40.1 10.1 3.4 39.6 86 94 A E T 34 S+ 0 0 156 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.838 112.6 39.6 -61.2 -40.6 10.1 6.6 41.8 87 95 A Q T 34 S+ 0 0 126 -3,-0.5 2,-0.8 2,-0.0 -1,-0.2 0.503 91.4 103.1 -89.5 -10.0 13.6 7.6 40.6 88 96 A M << + 0 0 2 -4,-0.9 3,-0.1 -3,-0.7 245,-0.1 -0.709 27.7 146.4 -81.2 108.4 13.0 6.6 37.0 89 97 A K + 0 0 66 -2,-0.8 -40,-0.4 1,-0.3 2,-0.3 0.646 69.6 21.2-107.7 -29.4 12.4 9.8 34.9 90 98 A D - 0 0 39 -43,-0.1 -8,-0.5 -42,-0.1 2,-0.4 -0.888 63.4-143.1-136.6 165.0 14.1 8.6 31.7 91 99 A V E -D 46 0B 0 -45,-2.3 -45,-3.4 -2,-0.3 2,-0.5 -0.986 11.3-151.9-130.9 135.0 15.1 5.3 29.9 92 100 A Y E -DE 45 80B 6 -12,-2.9 -12,-2.8 -2,-0.4 2,-0.5 -0.971 7.2-157.6-113.4 121.3 18.3 4.9 27.8 93 101 A I E -DE 44 79B 5 -49,-2.6 -49,-2.4 -2,-0.5 2,-0.5 -0.905 5.8-155.5-102.4 121.1 18.2 2.3 25.0 94 102 A V E +DE 43 78B 0 -16,-2.9 -17,-3.0 -2,-0.5 -16,-1.3 -0.858 23.7 163.5 -98.7 123.3 21.7 1.0 23.9 95 103 A Q E -D 42 0B 29 -53,-2.7 -53,-2.5 -2,-0.5 -19,-0.1 -0.893 46.3 -72.4-135.9 164.8 21.8 -0.4 20.4 96 104 A D E -D 41 0B 67 -21,-0.3 2,-0.4 -2,-0.3 -55,-0.2 -0.313 54.4-115.9 -55.4 136.4 24.5 -1.3 17.7 97 105 A L - 0 0 63 -57,-0.6 2,-0.3 -65,-0.1 -1,-0.1 -0.676 33.9-163.4 -79.2 128.8 26.0 1.9 16.3 98 106 A M - 0 0 27 -2,-0.4 50,-0.3 1,-0.1 3,-0.1 -0.756 23.1-129.3-111.4 157.4 25.2 2.2 12.6 99 107 A E S S- 0 0 112 48,-0.8 2,-0.2 -2,-0.3 49,-0.2 0.915 76.7 -36.2 -71.7 -44.7 27.0 4.5 10.1 100 108 A T E -G 147 0C 27 47,-2.8 47,-3.1 4,-0.0 2,-0.3 -0.839 57.5-103.2-158.5-171.5 23.9 6.1 8.6 101 109 A D E > -G 146 0C 33 45,-0.3 4,-2.1 -2,-0.2 45,-0.2 -0.856 36.3-108.9-124.6 161.9 20.2 5.6 7.6 102 110 A L H > S+ 0 0 0 43,-2.4 4,-2.5 40,-1.1 41,-0.2 0.819 116.7 61.1 -64.0 -26.3 18.8 5.2 4.0 103 111 A Y H > S+ 0 0 102 39,-0.8 4,-0.9 42,-0.2 -1,-0.2 0.964 109.5 39.8 -60.0 -56.4 17.2 8.7 4.3 104 112 A K H > S+ 0 0 116 2,-0.2 4,-0.6 1,-0.2 3,-0.5 0.880 115.6 53.0 -59.4 -43.5 20.6 10.5 4.8 105 113 A L H >X S+ 0 0 18 -4,-2.1 4,-2.5 1,-0.2 3,-1.2 0.931 107.3 50.6 -61.1 -45.7 22.3 8.2 2.2 106 114 A L H 3< S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.683 97.7 68.5 -69.3 -20.1 19.6 8.9 -0.6 107 115 A K H 3< S+ 0 0 140 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.761 124.7 5.8 -69.5 -26.3 20.0 12.7 -0.1 108 116 A T H << S+ 0 0 109 -3,-1.2 2,-0.5 -4,-0.6 -2,-0.2 0.502 113.7 78.6-135.0 -9.9 23.5 12.7 -1.6 109 117 A Q < - 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