==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-JUN-11 3SLS . COMPND 2 MOLECULE: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MEIER,T.A.CESKA . 583 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 39 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 2 3 5 0 0 0 1 1 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 2 2 0 0 3 4 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 . 0 0 2 2 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 42 A M 0 0 123 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.4 9.9 8.2 -27.0 2 43 A T > - 0 0 80 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.416 360.0-109.7 -72.3 159.2 10.5 4.4 -26.4 3 44 A L H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.870 121.2 52.0 -56.9 -40.0 11.1 2.2 -29.4 4 45 A Q H > S+ 0 0 121 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.859 110.5 46.7 -67.7 -38.8 7.7 0.6 -28.9 5 46 A Q H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.908 112.4 51.1 -64.3 -46.6 6.0 4.0 -28.9 6 47 A R H X S+ 0 0 151 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.897 114.9 43.6 -53.6 -44.4 8.0 5.0 -31.9 7 48 A K H X S+ 0 0 54 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.872 108.8 54.9 -72.6 -41.9 6.8 1.7 -33.6 8 49 A R H X S+ 0 0 51 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.850 110.3 48.2 -60.4 -36.2 3.1 2.0 -32.5 9 50 A L H X S+ 0 0 29 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.852 109.7 52.6 -70.7 -40.4 3.0 5.4 -34.1 10 51 A E H X S+ 0 0 132 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.956 108.5 51.2 -54.5 -53.9 4.7 4.0 -37.3 11 52 A A H X S+ 0 0 52 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.780 110.3 48.8 -57.2 -35.7 2.0 1.3 -37.4 12 53 A F H X S+ 0 0 25 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.905 106.3 54.6 -72.1 -45.9 -0.9 3.8 -37.1 13 54 A L H X S+ 0 0 59 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.653 103.4 57.7 -66.2 -19.4 0.4 6.2 -39.8 14 55 A T H X S+ 0 0 92 -4,-1.0 4,-0.8 2,-0.2 3,-0.4 0.926 110.2 39.5 -79.0 -46.1 0.6 3.5 -42.5 15 56 A Q H < S+ 0 0 68 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.634 105.7 66.7 -81.5 -13.1 -3.1 2.3 -42.3 16 57 A K H >< S+ 0 0 13 -4,-1.3 3,-0.7 1,-0.2 -1,-0.2 0.846 100.4 51.7 -63.3 -36.8 -4.2 5.9 -42.0 17 58 A Q H 3< S+ 0 0 135 -4,-0.7 2,-0.4 -3,-0.4 -2,-0.2 0.813 94.6 70.3 -67.7 -31.0 -2.8 6.2 -45.5 18 59 A K T 3< S+ 0 0 128 -4,-0.8 2,-0.4 31,-0.0 -1,-0.3 -0.002 90.0 84.5 -74.2 30.2 -5.0 3.1 -46.4 19 60 A V < - 0 0 23 -3,-0.7 3,-0.1 -2,-0.4 2,-0.1 -0.999 61.2-168.9-136.8 128.4 -7.9 5.6 -46.0 20 61 A G - 0 0 54 -2,-0.4 2,-0.1 1,-0.3 29,-0.0 -0.066 52.0 -38.9 -95.2-159.3 -9.2 8.0 -48.7 21 62 A E - 0 0 98 1,-0.1 2,-0.3 -2,-0.1 -1,-0.3 -0.405 69.0-125.1 -61.6 143.2 -11.6 10.9 -48.4 22 63 A L + 0 0 24 69,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.758 30.7 176.4-100.8 141.2 -14.4 10.0 -46.0 23 64 A K > - 0 0 48 -2,-0.3 3,-1.0 1,-0.1 4,-0.4 -0.958 42.3-112.1-139.0 156.9 -18.2 10.2 -46.8 24 65 A D G > S+ 0 0 64 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.875 114.2 59.9 -55.1 -41.9 -21.3 9.3 -44.9 25 66 A D G 3 S+ 0 0 137 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.802 97.7 58.4 -55.1 -36.1 -22.0 6.4 -47.2 26 67 A D G < S+ 0 0 49 -3,-1.0 21,-2.3 20,-0.1 2,-0.3 0.534 91.2 87.8 -79.1 -7.6 -18.8 4.6 -46.4 27 68 A F E < -A 46 0A 17 -3,-1.4 2,-0.4 -4,-0.4 19,-0.2 -0.744 54.4-167.4 -99.7 142.4 -19.5 4.3 -42.6 28 69 A E E -A 45 0A 109 17,-2.5 17,-3.0 -2,-0.3 2,-0.1 -0.992 23.4-124.1-129.5 122.4 -21.4 1.6 -40.8 29 70 A K E +A 44 0A 112 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.395 32.5 166.7 -67.5 137.0 -22.6 1.9 -37.2 30 71 A I E - 0 0 92 13,-2.7 2,-0.3 1,-0.5 14,-0.2 0.720 62.5 -29.4-110.1 -61.4 -21.5 -0.7 -34.7 31 72 A S E -A 43 0A 55 12,-1.3 12,-2.7 0, 0.0 2,-0.5 -0.926 59.3 -99.0-151.2 172.7 -22.3 0.8 -31.3 32 73 A E E -A 42 0A 125 -2,-0.3 10,-0.2 10,-0.3 3,-0.1 -0.902 21.2-169.0-103.8 122.9 -22.7 4.1 -29.4 33 74 A L E - 0 0 52 8,-1.4 2,-0.3 -2,-0.5 9,-0.2 0.699 54.8 -87.8 -84.6 -22.0 -19.8 5.2 -27.2 34 75 A G E -A 41 0A 31 7,-1.3 7,-2.3 2,-0.0 -1,-0.3 -0.903 36.3-106.6 147.9-170.2 -21.7 8.0 -25.4 35 76 A A E +A 40 0A 79 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.885 28.7 163.9-143.6 177.9 -22.6 11.7 -25.7 36 77 A G - 0 0 57 3,-1.6 4,-0.0 -2,-0.3 -2,-0.0 -0.371 59.1 -5.8-156.5-124.0 -21.7 15.0 -24.1 37 78 A N S S- 0 0 145 1,-0.2 3,-0.1 -2,-0.1 140,-0.0 0.255 129.8 -37.8 -82.4 11.2 -21.9 18.8 -24.5 38 79 A G S S+ 0 0 54 1,-0.4 21,-0.7 19,-0.1 2,-0.3 0.451 116.3 103.6 130.7 29.3 -23.4 18.7 -28.0 39 80 A G E - B 0 58A 14 19,-0.2 -3,-1.6 2,-0.0 2,-0.4 -0.999 50.3-158.3-140.7 137.9 -21.5 15.8 -29.5 40 81 A V E -AB 35 57A 48 17,-1.8 17,-3.1 -2,-0.3 2,-0.5 -0.972 12.0-156.7-116.7 130.9 -22.5 12.2 -30.2 41 82 A V E -AB 34 56A 29 -7,-2.3 -8,-1.4 -2,-0.4 -7,-1.3 -0.930 10.6-174.0-114.1 131.0 -19.8 9.6 -30.5 42 83 A F E -AB 32 55A 35 13,-2.5 13,-2.8 -2,-0.5 2,-0.6 -0.973 28.5-127.9-124.8 135.7 -20.3 6.3 -32.4 43 84 A K E -AB 31 54A 60 -12,-2.7 -13,-2.7 -2,-0.4 -12,-1.3 -0.746 47.0-176.9 -74.1 122.3 -18.1 3.3 -32.8 44 85 A V E -AB 29 53A 1 9,-2.7 9,-2.3 -2,-0.6 2,-0.5 -0.861 30.7-137.4-126.6 157.5 -18.1 2.9 -36.6 45 86 A S E -AB 28 52A 27 -17,-3.0 -17,-2.5 -2,-0.3 2,-0.8 -0.982 13.7-151.9-112.6 125.2 -16.8 0.6 -39.3 46 87 A H E >>> -AB 27 51A 2 5,-2.8 4,-2.9 -2,-0.5 3,-0.8 -0.867 11.3-158.9 -97.0 105.5 -15.3 2.3 -42.3 47 88 A K T 345S+ 0 0 101 -21,-2.3 -1,-0.2 -2,-0.8 -20,-0.1 0.857 81.1 60.9 -60.4 -47.4 -15.9 -0.2 -45.1 48 89 A P T 345S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.821 126.9 19.8 -50.7 -35.8 -13.3 0.8 -47.8 49 90 A S T <45S- 0 0 29 -3,-0.8 -2,-0.2 2,-0.1 3,-0.1 0.644 96.9-134.0-100.7 -23.6 -10.5 0.1 -45.2 50 91 A G T <5 + 0 0 46 -4,-2.9 -3,-0.2 1,-0.3 2,-0.1 0.478 54.5 155.3 75.3 4.5 -12.6 -2.1 -42.9 51 92 A L E < -B 46 0A 22 -5,-0.7 -5,-2.8 -6,-0.1 2,-0.4 -0.366 46.4-127.9 -68.7 137.0 -11.1 0.0 -40.1 52 93 A V E +B 45 0A 67 -7,-0.2 52,-0.5 -3,-0.1 2,-0.3 -0.718 40.5 167.5 -79.6 129.7 -12.7 0.5 -36.7 53 94 A M E -BC 44 103A 0 -9,-2.3 -9,-2.7 -2,-0.4 2,-0.5 -0.919 37.3-122.1-137.1 163.9 -13.0 4.2 -35.9 54 95 A A E -BC 43 102A 6 48,-2.8 48,-3.1 -2,-0.3 2,-0.5 -0.952 28.7-160.8-104.2 132.0 -14.6 6.5 -33.4 55 96 A R E -BC 42 101A 20 -13,-2.8 -13,-2.5 -2,-0.5 2,-0.5 -0.958 3.6-161.2-119.6 119.7 -16.9 9.1 -35.1 56 97 A K E -BC 41 100A 36 44,-3.3 44,-2.6 -2,-0.5 2,-0.6 -0.857 6.2-154.7-100.9 129.8 -17.9 12.3 -33.3 57 98 A L E -BC 40 99A 22 -17,-3.1 -17,-1.8 -2,-0.5 2,-0.6 -0.910 9.2-171.9-106.7 119.3 -20.9 14.2 -34.6 58 99 A I E -BC 39 98A 45 40,-3.9 40,-3.1 -2,-0.6 2,-1.3 -0.941 16.4-146.9-115.7 112.3 -21.1 17.9 -33.9 59 100 A H + 0 0 106 -21,-0.7 2,-0.8 -2,-0.6 38,-0.2 -0.656 22.5 178.6 -77.0 94.4 -24.3 19.7 -34.8 60 101 A L - 0 0 57 -2,-1.3 2,-0.1 36,-0.3 -2,-0.1 -0.882 27.1-132.1-100.0 104.2 -23.0 23.1 -35.7 61 102 A E + 0 0 87 -2,-0.8 406,-0.1 406,-0.0 36,-0.0 -0.364 69.3 13.9 -63.2 128.8 -26.0 25.2 -36.8 62 103 A I - 0 0 68 -2,-0.1 405,-0.0 34,-0.0 -2,-0.0 0.529 69.2-170.1 79.8 134.9 -25.5 27.1 -40.1 63 104 A K + 0 0 58 3,-0.1 2,-0.2 4,-0.1 3,-0.1 0.183 34.8 99.1 -94.4-139.0 -22.8 26.7 -42.8 64 105 A P S > S+ 0 0 72 0, 0.0 4,-1.4 0, 0.0 5,-0.1 -0.576 97.6 6.3-101.1 -53.7 -21.4 27.7 -45.4 65 106 A A H > S+ 0 0 28 1,-0.2 4,-1.0 2,-0.2 295,-0.1 0.782 130.7 54.5 -62.6 -33.6 -18.1 29.7 -45.4 66 107 A I H > S+ 0 0 42 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.838 107.4 49.3 -73.0 -34.7 -17.9 29.1 -41.6 67 108 A R H > S+ 0 0 86 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.827 108.9 51.5 -72.9 -34.7 -18.2 25.3 -41.9 68 109 A N H X S+ 0 0 64 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.744 108.1 51.5 -79.4 -20.5 -15.5 25.0 -44.6 69 110 A Q H X S+ 0 0 23 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.815 107.0 55.2 -78.8 -31.2 -13.0 27.0 -42.6 70 111 A I H X S+ 0 0 17 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.936 108.5 47.0 -63.0 -47.9 -13.7 24.7 -39.6 71 112 A I H < S+ 0 0 13 -4,-1.7 4,-0.2 1,-0.2 -1,-0.2 0.826 111.8 51.1 -64.9 -32.9 -12.9 21.5 -41.7 72 113 A R H >< S+ 0 0 162 -4,-1.0 3,-0.6 1,-0.2 -1,-0.2 0.848 110.2 48.0 -77.4 -33.4 -9.7 23.1 -43.1 73 114 A E H >< S+ 0 0 56 -4,-1.9 3,-1.4 1,-0.2 4,-0.2 0.841 104.0 62.5 -70.7 -33.2 -8.4 24.1 -39.6 74 115 A L G >< S+ 0 0 16 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.609 85.3 79.2 -61.5 -13.9 -9.2 20.5 -38.5 75 116 A Q G X S+ 0 0 54 -3,-0.6 3,-1.6 1,-0.3 4,-0.3 0.714 74.1 72.7 -74.3 -20.8 -6.6 19.4 -41.0 76 117 A V G X> S+ 0 0 49 -3,-1.4 3,-2.0 1,-0.3 4,-0.6 0.769 80.4 76.2 -59.1 -26.4 -3.8 20.2 -38.6 77 118 A L G <4 S+ 0 0 18 -3,-1.2 11,-0.4 1,-0.3 3,-0.4 0.727 82.0 66.8 -60.1 -21.3 -4.9 17.2 -36.7 78 119 A H G <4 S+ 0 0 54 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.807 101.7 48.4 -64.1 -31.2 -3.2 15.1 -39.4 79 120 A E T <4 S+ 0 0 119 -3,-2.0 2,-1.4 -4,-0.3 -1,-0.2 0.575 85.2 97.1 -86.7 -13.1 0.0 16.6 -38.1 80 121 A C < + 0 0 3 -4,-0.6 2,-0.5 -3,-0.4 8,-0.3 -0.657 49.5 159.5 -79.5 92.7 -0.7 15.8 -34.4 81 122 A N + 0 0 40 -2,-1.4 5,-0.1 6,-0.1 -72,-0.1 -0.913 12.6 125.3-127.2 104.1 1.2 12.6 -34.0 82 123 A S > - 0 0 10 -2,-0.5 3,-1.6 3,-0.4 53,-0.0 -0.988 65.0-120.0-157.0 144.7 2.2 11.5 -30.5 83 124 A P T 3 S+ 0 0 12 0, 0.0 80,-0.3 0, 0.0 52,-0.1 0.597 117.8 52.1 -67.7 -7.3 1.7 8.5 -28.1 84 125 A Y T 3 S+ 0 0 39 50,-0.1 81,-2.7 80,-0.1 2,-0.4 0.264 100.8 72.1-109.7 8.4 -0.1 10.9 -25.8 85 126 A I B < S-e 165 0B 4 -3,-1.6 -3,-0.4 79,-0.3 2,-0.2 -0.975 86.5-112.6-124.7 139.1 -2.6 12.2 -28.5 86 127 A V - 0 0 11 79,-2.4 2,-0.1 -2,-0.4 -2,-0.1 -0.479 42.3-103.7 -70.5 136.8 -5.5 10.3 -30.0 87 128 A G - 0 0 7 -2,-0.2 16,-3.3 15,-0.1 2,-0.4 -0.362 30.0-141.8 -68.2 136.7 -5.1 9.5 -33.7 88 129 A F E +D 102 0A 6 -11,-0.4 14,-0.3 -8,-0.3 3,-0.1 -0.818 22.9 173.8 -99.8 135.2 -7.0 11.5 -36.3 89 130 A Y E - 0 0 19 12,-2.7 2,-0.3 -2,-0.4 13,-0.2 0.791 56.7 -66.3-101.8 -46.0 -8.5 10.0 -39.4 90 131 A G E -D 101 0A 4 11,-1.6 11,-3.1 -69,-0.1 2,-0.3 -0.953 35.5-121.6 169.9 173.6 -10.4 12.9 -41.0 91 132 A A E +D 100 0A 13 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -1.000 26.6 158.9-144.4 140.3 -13.3 15.4 -40.8 92 133 A F E -D 99 0A 23 7,-1.6 7,-2.8 -2,-0.3 2,-0.4 -0.884 34.8-111.0-145.8 174.7 -16.3 16.3 -43.0 93 134 A Y E +D 98 0A 43 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.909 39.6 157.1-110.9 145.6 -19.8 17.9 -43.0 94 135 A S E > -D 97 0A 20 3,-1.4 3,-1.4 -2,-0.4 -2,-0.1 -0.860 61.2 -6.4-170.4 129.1 -23.0 15.9 -43.5 95 136 A D T 3 S- 0 0 147 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.814 127.4 -51.8 51.6 41.0 -26.7 16.4 -42.7 96 137 A G T 3 S+ 0 0 23 1,-0.2 2,-0.4 -37,-0.0 -36,-0.3 0.683 120.4 102.6 73.0 21.1 -26.1 19.6 -40.7 97 138 A E E < - 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