==== 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 4FV0 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX-CRYSTALLOGRAPHERS . 344 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 59.9 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 . 13 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 29.1 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 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 . 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 0 131 0, 0.0 9,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.8 27.1 12.8 35.1 2 10 A E - 0 0 83 7,-0.3 7,-2.3 6,-0.1 2,-0.4 -0.280 360.0-141.6 -64.3 149.0 28.2 13.9 31.6 3 11 A M E -A 8 0A 115 5,-0.2 2,-0.4 15,-0.1 5,-0.2 -0.924 15.5-173.5-116.3 141.6 26.4 16.8 29.9 4 12 A V E > S-A 7 0A 17 3,-2.8 3,-2.0 -2,-0.4 15,-0.1 -0.975 71.2 -18.8-139.9 123.4 25.5 17.0 26.1 5 13 A R T 3 S- 0 0 83 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.866 128.4 -49.7 46.8 48.7 24.0 20.2 24.4 6 14 A G T 3 S+ 0 0 72 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.190 120.4 97.4 82.3 -12.2 22.8 21.5 27.8 7 15 A Q E < S-A 4 0A 36 -3,-2.0 -3,-2.8 1,-0.0 -1,-0.2 -0.788 78.3-100.9-112.9 154.2 21.1 18.3 29.0 8 16 A V E +A 3 0A 56 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.439 32.4 176.1 -67.4 136.2 22.1 15.4 31.3 9 17 A F + 0 0 0 -7,-2.3 2,-0.9 -2,-0.1 -7,-0.3 -0.688 9.0 175.1-139.7 74.9 23.2 12.1 29.5 10 18 A D + 0 0 78 -2,-0.2 82,-0.1 1,-0.2 -2,-0.0 -0.795 26.8 132.8 -98.2 103.7 24.3 9.8 32.4 11 19 A V > + 0 0 5 -2,-0.9 4,-1.2 4,-0.3 3,-0.4 0.283 48.5 157.2-125.5 -4.9 25.2 6.4 30.9 12 20 A G T 4 + 0 0 49 1,-0.2 4,-0.1 2,-0.2 -2,-0.0 -0.171 36.0 32.7 -65.5 160.5 28.4 6.1 32.9 13 21 A P T 4 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 -0.992 126.7 38.0 -86.3 -14.4 30.5 4.3 34.0 14 22 A R T 4 S+ 0 0 72 -3,-0.4 21,-3.1 1,-0.1 2,-0.5 0.895 118.3 50.4 -62.0 -41.2 30.1 1.7 31.2 15 23 A Y E < S+B 34 0B 1 -4,-1.2 -4,-0.3 19,-0.2 2,-0.2 -0.893 71.5 156.3-111.9 121.5 29.6 4.3 28.4 16 24 A T E +B 33 0B 36 17,-1.9 17,-3.6 -2,-0.5 -2,-0.0 -0.728 40.9 50.3-132.6 176.2 32.0 7.3 28.0 17 25 A N E S- 0 0 103 -2,-0.2 -1,-0.2 15,-0.2 2,-0.1 0.945 73.8-156.8 52.9 62.7 33.4 9.9 25.5 18 26 A L E - 0 0 26 14,-0.1 2,-0.4 -3,-0.1 14,-0.2 -0.398 16.1-170.7 -72.3 141.6 29.9 11.1 24.3 19 27 A S E -B 31 0B 60 12,-1.8 12,-2.7 -2,-0.1 2,-0.1 -0.997 27.6-117.3-133.6 127.1 29.3 12.8 20.9 20 28 A Y E +B 30 0B 121 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.395 32.5 172.9 -63.4 132.9 25.9 14.4 19.9 21 29 A I E - 0 0 90 8,-2.7 2,-0.3 1,-0.4 9,-0.2 0.722 48.0 -99.3-107.3 -45.8 24.3 12.6 16.9 22 30 A G E -B 29 0B 16 7,-1.7 7,-2.5 0, 0.0 2,-0.4 -0.987 51.4 -37.0 159.4-151.2 20.9 14.4 16.8 23 31 A E E -B 28 0B 122 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.915 47.1-162.1-113.0 135.9 17.3 14.0 17.9 24 32 A G - 0 0 33 3,-3.6 3,-0.1 -2,-0.4 5,-0.1 0.001 48.8 -68.1 -93.3-157.4 15.4 10.8 17.8 25 33 A A S S- 0 0 60 1,-0.2 3,-0.1 -2,-0.1 21,-0.0 0.889 128.0 -1.6 -66.3 -41.5 11.6 10.0 17.8 26 34 A Y S S+ 0 0 54 19,-0.1 21,-1.0 2,-0.0 2,-0.3 -0.121 129.2 5.8-146.6 42.0 11.2 11.3 21.5 27 35 A G S S- 0 0 19 19,-0.2 -3,-3.6 -3,-0.1 2,-0.3 -0.988 84.7 -48.5 168.2-174.3 14.7 12.3 22.7 28 36 A M E -B 23 0B 20 17,-0.3 17,-3.6 -2,-0.3 2,-0.4 -0.658 38.9-153.4 -87.6 140.4 18.5 12.9 22.2 29 37 A V E +BC 22 44B 24 -7,-2.5 -8,-2.7 -2,-0.3 -7,-1.7 -0.947 17.5 172.2-118.2 131.9 20.8 10.4 20.5 30 38 A C E -BC 20 43B 0 13,-2.5 13,-3.0 -2,-0.4 2,-0.3 -0.960 29.3-128.1-130.5 151.1 24.6 10.3 21.2 31 39 A S E +BC 19 42B 13 -12,-2.7 -12,-1.8 -2,-0.3 2,-0.3 -0.683 36.3 178.5 -91.9 151.0 27.4 7.9 20.2 32 40 A A E - C 0 41B 0 9,-2.1 9,-2.9 -2,-0.3 2,-0.6 -0.982 34.2-104.9-151.5 161.1 29.5 6.6 23.1 33 41 A Y E -BC 16 40B 74 -17,-3.6 -17,-1.9 -2,-0.3 2,-0.8 -0.823 27.6-144.2 -92.5 116.2 32.4 4.3 23.9 34 42 A D E >> -BC 15 39B 0 5,-3.1 4,-1.2 -2,-0.6 5,-0.9 -0.760 10.6-163.9 -79.1 107.3 31.2 0.9 25.4 35 43 A N T 45S+ 0 0 50 -21,-3.1 -1,-0.2 -2,-0.8 -20,-0.1 0.620 84.7 49.9 -71.4 -12.6 34.0 0.2 27.9 36 44 A V T 45S+ 0 0 97 -22,-0.2 -1,-0.1 3,-0.1 -2,-0.0 0.948 121.8 28.6 -87.2 -57.5 32.9 -3.5 28.2 37 45 A N T 45S- 0 0 96 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.492 101.5-132.1 -81.5 -4.2 32.7 -4.5 24.5 38 46 A K T <5 + 0 0 127 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.867 67.9 110.2 53.7 45.4 35.4 -1.9 23.5 39 47 A V E + 0 0 2 0, 0.0 3,-1.1 0, 0.0 7,-0.4 0.454 33.4 101.5-109.9 -1.0 8.2 9.6 28.1 49 57 A F T 3 S+ 0 0 18 40,-0.4 282,-0.1 1,-0.2 281,-0.1 0.567 76.6 57.5 -69.6 -12.8 6.6 9.1 31.6 50 58 A E T 3 S+ 0 0 154 -3,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.717 104.3 57.9 -89.3 -19.0 4.5 12.4 31.7 51 59 A H <> - 0 0 129 -3,-1.1 4,-1.6 1,-0.1 3,-0.1 -0.949 68.9-149.3-120.0 129.3 2.5 11.4 28.5 52 60 A Q H > S+ 0 0 48 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.824 98.9 50.3 -60.8 -40.4 0.4 8.2 28.0 53 61 A T H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.811 110.3 49.3 -72.8 -32.8 1.1 8.0 24.2 54 62 A Y H > S+ 0 0 24 -6,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.838 111.5 50.6 -71.4 -35.1 4.9 8.4 24.6 55 63 A C H X S+ 0 0 0 -4,-1.6 4,-2.4 -7,-0.4 -2,-0.2 0.861 110.8 49.9 -65.9 -40.7 4.7 5.6 27.3 56 64 A Q H X S+ 0 0 15 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.907 112.1 45.3 -66.1 -48.8 2.7 3.4 24.8 57 65 A R H X S+ 0 0 99 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.864 115.8 48.0 -64.5 -39.1 5.2 3.9 21.9 58 66 A T H X S+ 0 0 16 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.921 115.2 43.5 -65.8 -51.6 8.2 3.3 24.3 59 67 A L H X S+ 0 0 13 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.958 114.9 50.0 -60.5 -52.2 6.6 0.1 25.9 60 68 A R H X S+ 0 0 51 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.912 115.2 43.1 -47.9 -54.9 5.5 -1.2 22.4 61 69 A E H X S+ 0 0 23 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.887 114.4 49.1 -63.5 -45.6 8.9 -0.7 20.9 62 70 A I H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.957 112.5 48.5 -62.3 -49.5 10.9 -2.1 23.9 63 71 A K H X S+ 0 0 50 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.907 115.8 43.8 -56.0 -47.1 8.6 -5.2 24.0 64 72 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 3,-0.3 0.940 115.1 46.1 -65.2 -52.6 9.0 -5.9 20.3 65 73 A L H < S+ 0 0 5 -4,-2.6 11,-0.4 1,-0.2 -1,-0.2 0.787 112.3 52.1 -64.0 -31.1 12.8 -5.3 19.9 66 74 A L H < S+ 0 0 22 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.786 114.0 42.6 -76.7 -27.9 13.5 -7.4 23.0 67 75 A R H < S+ 0 0 135 -4,-1.3 -2,-0.2 -3,-0.3 2,-0.2 0.825 102.8 80.7 -87.0 -27.2 11.5 -10.3 21.7 68 76 A F < + 0 0 15 -4,-2.4 2,-0.3 -5,-0.1 62,-0.0 -0.514 51.8 179.9 -80.9 143.1 12.9 -10.0 18.1 69 77 A R + 0 0 230 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.808 27.4 129.9-143.8 98.6 16.3 -11.5 17.2 70 78 A H > - 0 0 18 3,-0.4 3,-1.6 -2,-0.3 56,-0.0 -0.987 59.8-126.5-154.7 139.5 17.3 -11.0 13.5 71 79 A E T 3 S+ 0 0 134 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.677 111.9 49.5 -59.6 -25.2 20.3 -9.6 11.6 72 80 A N T 3 S+ 0 0 5 82,-0.1 83,-2.8 53,-0.1 2,-0.4 0.129 101.0 73.1-105.2 22.1 18.1 -7.1 9.7 73 81 A I B < S-f 155 0C 5 -3,-1.6 -3,-0.4 81,-0.3 83,-0.2 -0.999 90.5-111.4-136.0 125.9 16.3 -5.7 12.7 74 82 A I - 0 0 1 81,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.283 35.8-149.6 -60.7 132.8 18.0 -3.4 15.2 75 83 A G - 0 0 28 -4,-0.1 2,-0.6 -6,-0.1 21,-0.4 -0.681 14.3-118.8 -99.1 162.4 18.5 -5.1 18.5 76 84 A I - 0 0 21 -11,-0.4 19,-0.2 -2,-0.2 3,-0.1 -0.927 26.2-177.9 -99.5 120.0 18.6 -3.6 22.0 77 85 A N - 0 0 54 17,-2.7 2,-0.3 -2,-0.6 18,-0.2 0.760 66.9 -11.0 -83.0 -34.6 22.1 -4.2 23.6 78 86 A D E -E 94 0B 14 16,-1.2 16,-3.2 2,-0.0 2,-0.4 -0.979 53.0-146.4-164.6 154.7 21.4 -2.6 26.9 79 87 A I E -E 93 0B 1 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.993 15.3-158.8-133.5 125.6 18.9 -0.4 28.8 80 88 A I E +E 92 0B 35 12,-2.7 12,-3.0 -2,-0.4 2,-0.3 -0.912 28.5 136.1-106.7 131.4 19.9 2.1 31.4 81 89 A R - 0 0 18 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.970 56.0 -73.6-162.4 163.9 17.5 3.4 34.1 82 90 A A - 0 0 25 8,-0.5 6,-0.1 -2,-0.3 0, 0.0 -0.191 43.9-116.6 -56.4 154.7 17.3 4.1 37.8 83 91 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.664 96.5 47.6 -72.3 -16.0 17.0 1.1 40.2 84 92 A T S > S- 0 0 47 1,-0.1 4,-0.8 0, 0.0 3,-0.3 -0.915 79.6-127.4-125.6 152.8 13.6 2.2 41.4 85 93 A I T >4 S+ 0 0 47 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.860 112.0 56.8 -63.4 -36.3 10.4 3.3 39.7 86 94 A E T 34 S+ 0 0 161 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.837 112.1 41.1 -62.1 -37.9 10.3 6.5 41.9 87 95 A Q T 34 S+ 0 0 132 -3,-0.3 2,-0.7 2,-0.0 -1,-0.2 0.527 91.9 102.2 -88.2 -9.4 13.9 7.5 40.8 88 96 A M << + 0 0 2 -4,-0.8 3,-0.1 -3,-0.5 247,-0.1 -0.705 26.9 139.4 -84.3 112.1 13.3 6.6 37.1 89 97 A K + 0 0 63 -2,-0.7 -40,-0.4 1,-0.3 2,-0.3 0.601 69.3 33.3-116.6 -33.0 12.7 9.7 35.0 90 98 A D - 0 0 45 -43,-0.1 -8,-0.5 -42,-0.1 2,-0.4 -0.864 63.1-154.2-126.6 156.5 14.7 8.8 31.9 91 99 A V E -D 46 0B 0 -45,-2.3 -45,-2.6 -2,-0.3 2,-0.5 -0.996 8.3-153.4-131.0 132.8 15.5 5.6 30.0 92 100 A Y E -DE 45 80B 6 -12,-3.0 -12,-2.7 -2,-0.4 2,-0.5 -0.955 5.8-159.0-111.8 125.1 18.6 5.1 27.9 93 101 A I E -DE 44 79B 12 -49,-2.4 -49,-2.4 -2,-0.5 2,-0.5 -0.897 7.2-154.4-103.5 125.7 18.5 2.5 25.0 94 102 A V E +DE 43 78B 0 -16,-3.2 -17,-2.7 -2,-0.5 -16,-1.2 -0.882 21.8 164.9-102.0 128.6 21.8 1.2 23.8 95 103 A Q E -D 42 0B 34 -53,-2.6 -53,-3.1 -2,-0.5 -19,-0.1 -0.927 46.2 -78.7-134.3 163.1 22.1 -0.1 20.2 96 104 A D E -D 41 0B 73 -21,-0.4 2,-0.4 -2,-0.3 -55,-0.2 -0.345 55.2-111.6 -56.9 136.2 24.9 -1.0 17.7 97 105 A L - 0 0 66 -57,-0.7 2,-0.3 -65,-0.1 -1,-0.1 -0.651 34.4-159.5 -77.6 125.0 26.2 2.2 16.1 98 106 A M - 0 0 29 -2,-0.4 50,-0.3 50,-0.1 3,-0.1 -0.715 18.9-132.8-102.6 156.0 25.2 2.5 12.4 99 107 A E S S- 0 0 110 48,-1.3 2,-0.2 -2,-0.3 49,-0.2 0.852 75.5 -32.9 -75.9 -39.5 27.1 4.7 9.9 100 108 A T E -G 147 0C 29 47,-2.4 47,-3.0 4,-0.0 2,-0.3 -0.876 57.6-107.8-160.2-173.0 23.9 6.2 8.3 101 109 A D E > -G 146 0C 22 45,-0.3 4,-2.2 -2,-0.2 3,-0.2 -0.895 36.1-107.7-128.0 160.9 20.2 5.7 7.3 102 110 A L H > S+ 0 0 0 43,-2.5 4,-2.6 40,-0.9 41,-0.2 0.775 116.7 61.0 -61.6 -27.2 18.8 5.2 3.8 103 111 A Y H > S+ 0 0 101 39,-0.9 4,-1.1 42,-0.3 -1,-0.2 0.958 110.0 39.1 -62.3 -51.3 17.2 8.8 4.0 104 112 A K H > S+ 0 0 121 -3,-0.2 4,-0.7 2,-0.2 3,-0.4 0.903 116.3 52.3 -66.0 -42.3 20.6 10.5 4.4 105 113 A L H >X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 3,-1.0 0.912 108.3 50.4 -61.0 -46.3 22.2 8.1 1.9 106 114 A L H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.738 103.3 61.4 -67.6 -23.4 19.5 8.8 -0.8 107 115 A K H 3< S+ 0 0 147 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.735 125.2 12.1 -73.4 -24.9 19.9 12.6 -0.3 108 116 A T H << S+ 0 0 105 -3,-1.0 2,-0.4 -4,-0.7 -2,-0.2 0.489 114.0 71.0-130.8 -9.4 23.6 12.5 -1.5 109 117 A Q < - 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