==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 28-JUN-12 3VUD . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.NAKANIWA,T.KINOSHITA,T.INOUE . 365 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.5 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 . 23 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 5 0 1 0 0 1 0 1 1 1 0 1 1 0 0 1 0 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 1 1 2 0 2 1 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 . 1 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 7 A D 0 0 202 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.9 64.8 44.7 12.1 2 8 A N - 0 0 110 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.161 360.0 -66.5 -73.8-163.3 66.1 41.9 9.8 3 9 A N S S+ 0 0 117 85,-0.1 15,-1.1 14,-0.1 -1,-0.1 0.664 108.3 42.9 -65.4 -18.4 64.4 40.8 6.5 4 10 A F - 0 0 28 13,-0.2 2,-0.2 14,-0.1 13,-0.2 -0.068 53.8-168.8-112.5-161.2 61.2 39.4 7.9 5 11 A Y - 0 0 69 11,-0.1 11,-2.8 12,-0.0 2,-0.3 -0.774 17.6-123.2 174.0 158.8 58.3 39.8 10.4 6 12 A S E -A 15 0A 64 9,-0.3 2,-0.3 -2,-0.2 9,-0.3 -0.766 12.5-168.3-113.9 157.0 55.4 37.9 11.9 7 13 A V E -A 14 0A 39 7,-2.2 7,-1.8 -2,-0.3 2,-1.2 -0.990 25.9-125.6-141.4 139.6 51.6 38.3 12.2 8 14 A E E +A 13 0A 130 -2,-0.3 2,-0.9 5,-0.2 5,-0.2 -0.687 29.4 176.7 -86.4 93.7 49.2 36.3 14.3 9 15 A I E > -A 12 0A 27 3,-1.4 3,-2.5 -2,-1.2 -2,-0.1 -0.888 63.4 -64.4 -95.9 105.6 46.6 35.0 12.0 10 16 A G T 3 S- 0 0 64 -2,-0.9 0, 0.0 1,-0.3 0, 0.0 -0.160 113.6 -20.2 50.1-135.8 44.4 32.9 14.4 11 17 A D T 3 S+ 0 0 183 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.116 127.1 88.6 -89.6 26.1 46.3 30.0 15.8 12 18 A S E < -A 9 0A 34 -3,-2.5 -3,-1.4 2,-0.0 2,-0.5 -0.872 65.2-144.5-119.6 150.6 48.8 30.4 12.9 13 19 A T E -A 8 0A 47 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.964 6.2-167.3-115.3 136.2 51.8 32.4 12.3 14 20 A F E -A 7 0A 0 -7,-1.8 -7,-2.2 -2,-0.5 2,-0.5 -0.995 4.3-175.9-111.5 116.9 52.9 34.0 9.1 15 21 A T E +A 6 0A 39 -2,-0.6 2,-0.3 -9,-0.3 -9,-0.3 -0.994 30.6 148.0-107.3 118.8 56.5 35.2 9.2 16 22 A V - 0 0 0 -11,-2.8 2,-0.1 -2,-0.5 -11,-0.1 -0.895 50.3 -59.4-151.8 170.5 56.9 36.9 5.9 17 23 A L > - 0 0 25 -2,-0.3 3,-3.9 -13,-0.2 -13,-0.2 -0.355 41.0-127.9 -70.9 128.3 58.7 39.6 4.0 18 24 A K T 3 S+ 0 0 101 -15,-1.1 -1,-0.1 1,-0.3 22,-0.1 0.841 107.8 73.8 -39.3 -40.7 58.0 43.1 5.4 19 25 A R T 3 S+ 0 0 61 1,-0.1 21,-4.9 20,-0.1 2,-0.5 0.586 91.6 62.9 -50.0 -14.7 57.1 43.9 1.8 20 26 A Y E < S+B 39 0B 1 -3,-3.9 19,-0.2 19,-0.2 2,-0.2 -0.963 70.3 152.7-120.9 115.4 53.8 41.9 2.3 21 27 A Q E +B 38 0B 52 17,-1.8 17,-3.4 -2,-0.5 -4,-0.0 -0.678 36.7 53.2-128.6-179.0 51.3 43.2 4.8 22 28 A N E - 0 0 108 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.815 66.8-167.0 65.5 37.7 47.6 43.3 5.8 23 29 A L E + 0 0 15 -3,-0.1 14,-0.2 14,-0.1 -1,-0.2 -0.436 16.3 174.9 -66.3 109.5 47.1 39.5 5.7 24 30 A K E -B 36 0B 142 12,-1.0 12,-1.2 -2,-0.5 2,-0.2 -0.690 35.0-116.1 -86.6 162.3 43.5 38.3 5.8 25 31 A P E -B 35 0B 69 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.586 29.9-179.8 -91.0 170.5 43.2 34.5 5.3 26 32 A I E - 0 0 85 8,-1.8 2,-0.3 1,-0.4 9,-0.2 0.509 51.0 -55.9-147.0 -27.1 41.4 33.1 2.3 27 33 A G E -B 34 0B 34 7,-1.3 7,-3.2 0, 0.0 -1,-0.4 -0.925 50.8 -80.2 160.6 176.6 41.4 29.3 2.5 28 34 A S E -B 33 0B 93 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.882 33.0-155.0-104.0 142.9 43.4 26.1 2.8 29 35 A G - 0 0 26 3,-3.4 -1,-0.1 -2,-0.4 5,-0.1 0.056 57.7 -60.6 -84.9-153.9 45.1 24.5 -0.1 30 36 A A S S- 0 0 62 1,-0.2 3,-0.1 33,-0.1 34,-0.0 0.863 130.1 -11.3 -61.0 -33.2 45.9 20.8 -0.3 31 37 A Q S S+ 0 0 37 1,-0.1 21,-0.4 32,-0.1 2,-0.3 0.166 122.2 70.1-159.7 17.1 48.1 21.2 2.8 32 38 A G S S- 0 0 4 19,-0.2 -3,-3.4 22,-0.0 2,-0.3 -0.999 71.1-120.3-139.7 146.3 48.6 24.8 3.6 33 39 A I E -BC 28 50B 59 17,-0.6 17,-3.2 -2,-0.3 2,-0.3 -0.662 35.0-149.0 -78.5 145.5 46.6 27.8 4.8 34 40 A V E -BC 27 49B 19 -7,-3.2 -8,-1.8 -2,-0.3 -7,-1.3 -0.875 10.3-160.1-119.7 148.9 46.6 30.5 2.3 35 41 A C E -BC 25 48B 0 13,-2.4 13,-3.5 -2,-0.3 2,-0.2 -0.996 16.3-131.6-142.5 135.5 46.4 34.2 2.9 36 42 A A E +BC 24 47B 17 -12,-1.2 -12,-1.0 -2,-0.4 2,-0.3 -0.584 41.2 164.8 -79.1 146.5 45.5 37.3 1.0 37 43 A A E - C 0 46B 7 9,-1.7 9,-2.4 -2,-0.2 2,-0.5 -0.983 37.3-104.3-157.5 164.1 48.0 40.2 1.3 38 44 A Y E -BC 21 45B 77 -17,-3.4 -17,-1.8 -2,-0.3 2,-0.8 -0.861 22.0-145.9 -95.6 131.9 49.4 43.5 0.1 39 45 A D E >> -BC 20 44B 3 5,-2.0 4,-1.4 -2,-0.5 5,-0.7 -0.874 9.8-167.5 -91.0 113.9 52.6 43.7 -1.8 40 46 A A T 45S+ 0 0 37 -21,-4.9 -1,-0.2 -2,-0.8 -20,-0.1 0.961 86.0 40.3 -61.3 -54.0 54.2 46.9 -0.7 41 47 A I T 45S+ 0 0 94 -22,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.994 124.3 33.8 -59.7 -75.4 56.7 46.7 -3.5 42 48 A L T 45S- 0 0 100 2,-0.1 -1,-0.2 -23,-0.1 -2,-0.2 0.733 97.7-143.4 -58.1 -21.6 54.6 45.5 -6.4 43 49 A E T <5 + 0 0 137 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.967 62.2 104.5 52.7 66.4 51.7 47.5 -4.9 44 50 A R E S- 0 0 119 -2,-0.2 3,-2.5 1,-0.2 -1,-0.2 0.729 72.0-178.5 15.1 69.6 57.1 21.7 7.8 54 60 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 7,-0.9 0.775 72.9 69.3 -63.7 -26.8 56.1 19.9 4.6 55 61 A F G 3 S+ 0 0 18 41,-0.3 290,-0.2 1,-0.3 289,-0.1 0.565 71.6 92.6 -69.6 -8.4 59.0 17.6 5.0 56 62 A Q G < S+ 0 0 102 -3,-2.5 2,-0.3 -4,-0.2 -1,-0.3 0.715 92.8 32.0 -54.9 -19.8 57.4 16.0 8.0 57 63 A N <> - 0 0 73 -3,-1.3 4,-2.9 -4,-0.1 5,-0.4 -0.986 67.0-130.4-154.4 138.8 55.8 13.4 5.7 58 64 A Q H > S+ 0 0 89 -2,-0.3 4,-1.0 2,-0.2 5,-0.4 0.838 119.7 49.3 -48.0 -38.0 56.1 11.3 2.5 59 65 A T H > S+ 0 0 87 3,-0.1 4,-2.2 2,-0.1 5,-0.3 0.992 118.7 35.5 -55.0 -78.0 52.6 12.8 1.9 60 66 A H H > S+ 0 0 43 1,-0.2 4,-0.8 2,-0.2 -5,-0.2 0.876 118.9 46.3 -45.6 -65.0 53.5 16.4 2.6 61 67 A A H >X S+ 0 0 0 -4,-2.9 4,-2.6 -7,-0.9 3,-1.0 0.897 116.2 44.3 -50.9 -55.8 57.0 16.5 1.2 62 68 A K H 3X S+ 0 0 42 -4,-1.0 4,-2.4 -5,-0.4 -1,-0.2 0.973 116.3 43.8 -49.1 -67.5 56.2 14.7 -2.1 63 69 A R H 3X S+ 0 0 39 -4,-2.2 4,-0.5 -5,-0.4 -1,-0.3 0.439 116.4 51.7 -72.3 4.6 52.9 16.5 -2.9 64 70 A A H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 3,-0.9 0.971 119.9 50.9 -51.7 -66.4 58.4 22.7 -9.4 70 76 A L H 3X S+ 0 0 15 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.856 109.7 51.1 -40.9 -55.4 55.1 22.6 -11.1 71 77 A M H 3< S+ 0 0 4 -4,-4.1 11,-0.4 -5,-0.3 -1,-0.3 0.882 114.9 44.0 -48.5 -47.7 54.3 26.1 -10.2 72 78 A K H << S+ 0 0 134 -4,-2.2 -2,-0.2 -3,-0.9 -1,-0.2 0.981 117.4 39.0 -65.3 -61.9 57.6 27.3 -11.5 73 79 A C H < S+ 0 0 24 -4,-2.1 255,-0.4 -5,-0.1 -2,-0.2 0.769 93.8 105.5 -66.2 -30.1 57.9 25.5 -14.8 74 80 A V < + 0 0 21 -4,-2.7 8,-0.1 -5,-0.4 2,-0.1 -0.228 46.1 176.3 -44.8 134.3 54.2 26.0 -15.5 75 81 A N + 0 0 131 250,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.548 25.8 108.2-152.1 81.3 53.6 28.7 -18.1 76 82 A H > - 0 0 21 3,-0.2 3,-2.9 4,-0.1 2,-1.2 -0.873 65.4-122.3-161.7 132.4 50.1 29.5 -19.3 77 83 A K T 3 S+ 0 0 124 -2,-0.3 82,-0.3 1,-0.3 55,-0.1 0.191 108.9 59.2 -54.7 15.8 47.6 32.3 -18.8 78 84 A N T 3 S+ 0 0 6 -2,-1.2 83,-1.5 53,-0.1 2,-0.4 0.400 91.0 76.5-123.9 -1.3 45.0 29.8 -17.4 79 85 A I B < S-f 161 0C 4 -3,-2.9 -3,-0.2 81,-0.3 83,-0.2 -0.848 96.4 -96.3 -99.6 142.8 47.1 28.6 -14.4 80 86 A I - 0 0 5 81,-2.7 2,-0.6 -2,-0.4 -4,-0.1 -0.302 46.4-118.3 -54.4 138.7 47.5 30.7 -11.3 81 87 A G - 0 0 21 -4,-0.1 22,-1.2 -6,-0.1 2,-0.2 -0.777 14.5-139.1 -98.4 116.8 50.8 32.6 -11.5 82 88 A L E +E 102 0B 43 -2,-0.6 20,-0.3 -11,-0.4 3,-0.1 -0.476 22.6 174.6 -65.4 138.6 53.6 32.1 -9.0 83 89 A L E - 0 0 75 18,-4.2 2,-0.2 1,-0.5 19,-0.2 0.293 58.7 -10.6-130.0 3.0 55.3 35.4 -7.9 84 90 A N E -E 101 0B 34 17,-0.9 17,-3.5 2,-0.0 -1,-0.5 -0.754 46.0-157.8 164.0 139.9 57.7 34.4 -5.2 85 91 A V E +E 100 0B 5 -2,-0.2 2,-0.3 15,-0.2 15,-0.2 -0.930 25.4 151.0-124.6 161.6 58.9 31.7 -2.8 86 92 A F E -E 99 0B 0 13,-1.6 13,-2.1 -2,-0.3 267,-0.1 -0.969 29.4-150.2-171.1 169.3 60.8 32.0 0.4 87 93 A T - 0 0 8 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.977 13.7-147.9-142.4 142.2 61.6 30.6 3.8 88 94 A P + 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -85,-0.1 0.871 65.4 102.5 -76.9 -34.1 62.7 32.7 6.9 89 95 A Q S S- 0 0 37 8,-0.3 -2,-0.1 1,-0.1 3,-0.1 0.234 75.1-122.8 -51.0 169.0 65.0 30.1 8.5 90 96 A K S S- 0 0 162 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.905 73.9 -32.2 -83.5 -45.0 68.8 30.3 8.3 91 97 A S S >> S- 0 0 48 1,-0.1 4,-3.1 0, 0.0 3,-0.5 -0.975 76.0 -67.0-164.2 174.2 69.6 26.9 6.7 92 98 A L T 34 S+ 0 0 71 -2,-0.3 -1,-0.1 1,-0.3 257,-0.0 0.821 130.3 57.3 -34.4 -48.0 68.7 23.2 6.2 93 99 A E T 34 S+ 0 0 158 1,-0.2 -1,-0.3 -3,-0.0 -4,-0.0 0.974 119.9 26.4 -43.4 -65.9 69.7 22.9 9.9 94 100 A E T <4 S+ 0 0 99 -3,-0.5 -2,-0.2 2,-0.0 -1,-0.2 0.760 99.3 126.7 -69.4 -29.8 67.1 25.6 10.9 95 101 A F < + 0 0 3 -4,-3.1 3,-0.1 1,-0.1 -3,-0.0 0.191 11.9 113.3 -54.3 145.1 64.7 25.0 8.0 96 102 A Q + 0 0 64 1,-0.3 2,-0.4 -42,-0.0 -41,-0.3 0.154 50.9 67.3-161.5 -58.8 60.9 24.3 8.0 97 103 A D - 0 0 20 -44,-0.2 2,-0.3 -45,-0.1 -1,-0.3 -0.670 52.5-164.0 -93.8 130.7 58.2 26.6 6.8 98 104 A V E -D 51 0B 1 -47,-1.7 -47,-2.0 -2,-0.4 2,-0.4 -0.793 1.5-159.1-105.8 151.6 57.7 27.6 3.1 99 105 A Y E -DE 50 86B 1 -13,-2.1 -13,-1.6 -2,-0.3 2,-0.4 -0.990 1.2-163.6-131.4 141.6 55.8 30.4 1.6 100 106 A I E -DE 49 85B 1 -51,-2.0 -51,-2.3 -2,-0.4 2,-0.5 -0.991 6.5-155.8-129.3 125.4 54.4 30.8 -1.9 101 107 A V E +DE 48 84B 0 -17,-3.5 -18,-4.2 -2,-0.4 -17,-0.9 -0.878 24.2 162.4-110.5 127.8 53.3 34.1 -3.3 102 108 A M E -DE 47 82B 13 -55,-2.0 -55,-2.2 -2,-0.5 -20,-0.2 -0.784 40.5 -73.0-140.6 176.3 50.7 34.1 -6.2 103 109 A E E -D 46 0B 51 -22,-1.2 2,-1.1 -2,-0.2 -57,-0.2 -0.465 41.2-127.8 -80.1 146.4 48.3 36.2 -8.1 104 110 A L - 0 0 63 -59,-1.0 -59,-0.1 -2,-0.2 -1,-0.1 -0.599 20.9-161.8-104.4 85.7 45.0 37.1 -6.5 105 111 A M - 0 0 18 -2,-1.1 49,-0.2 1,-0.1 48,-0.1 -0.142 27.3-119.2 -46.4 143.8 42.0 36.3 -8.6 106 112 A D S S- 0 0 94 47,-0.2 2,-0.2 1,-0.1 48,-0.2 0.947 78.2 -34.2 -52.3 -55.5 38.8 38.2 -7.7 107 113 A A E -G 153 0C 18 46,-2.3 46,-1.1 3,-0.0 2,-0.3 -0.712 58.4-108.0-150.8-164.8 36.8 34.9 -6.9 108 114 A N E > -G 152 0C 39 44,-0.3 3,-1.8 -2,-0.2 44,-0.2 -0.984 38.7 -89.3-149.3 167.4 36.2 31.3 -7.6 109 115 A L G >> S+ 0 0 2 42,-1.8 3,-5.8 39,-0.7 4,-1.2 0.776 100.4 84.9 -43.5 -56.0 33.6 29.0 -9.2 110 116 A C G 34 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.2 39,-0.1 0.577 106.1 28.3 -16.0 -42.2 31.5 28.3 -6.1 111 117 A Q G <4 S+ 0 0 84 -3,-1.8 4,-0.5 2,-0.2 -1,-0.3 0.145 109.0 66.9-123.9 18.4 29.6 31.4 -6.7 112 118 A V T X4 S+ 0 0 1 -3,-5.8 3,-1.0 -4,-0.2 -2,-0.2 0.773 98.4 57.1 -83.1 -53.9 29.8 31.7 -10.4 113 119 A I T 3< S+ 0 0 12 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.719 99.2 69.2 -40.0 -24.3 27.8 28.6 -10.4 114 120 A Q T 3 S+ 0 0 143 -5,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.961 91.6 55.5 -67.3 -56.9 25.5 30.8 -8.4 115 121 A M S < S- 0 0 58 -3,-1.0 2,-0.5 -4,-0.5 98,-0.1 -0.230 91.8-106.0 -76.8 169.0 24.4 33.3 -11.1 116 122 A E - 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