==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-JUN-13 4L52 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7, . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WANG,K.R.HORNBERGER,A.P.CREW,A.JESTEL,K.MASKOS,M.MOERTL . 295 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 1 0 0 1 2 2 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 2 2 0 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 . 2 0 1 0 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 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 26 A G 0 0 99 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.000 360.0 360.0 360.0 73.7 4.9 -42.1 -5.1 2 27 A S - 0 0 102 55,-0.9 2,-0.5 2,-0.0 0, 0.0 -0.985 360.0-144.1-148.9 152.8 2.2 -42.7 -2.5 3 28 A L - 0 0 53 -2,-0.3 2,-0.2 67,-0.0 66,-0.1 -0.984 16.2-131.8-125.5 124.6 -1.1 -44.6 -2.4 4 29 A H - 0 0 101 -2,-0.5 66,-2.0 64,-0.4 2,-0.4 -0.508 31.7-131.4 -64.0 138.6 -4.2 -43.6 -0.5 5 30 A M B -a 70 0A 136 64,-0.2 2,-0.4 -2,-0.2 66,-0.2 -0.812 21.6-166.8-105.6 140.8 -5.5 -46.6 1.4 6 31 A I - 0 0 8 64,-3.1 2,-0.6 -2,-0.4 66,-0.2 -0.941 22.7-125.5-126.3 139.1 -9.1 -47.7 1.4 7 32 A D > - 0 0 75 -2,-0.4 3,-1.2 1,-0.1 64,-0.1 -0.800 16.6-147.6 -83.6 125.9 -10.9 -50.2 3.7 8 33 A Y G > S+ 0 0 66 -2,-0.6 3,-1.9 1,-0.2 -1,-0.1 0.823 94.0 67.4 -61.1 -33.2 -12.5 -52.8 1.4 9 34 A K G 3 S+ 0 0 198 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.697 94.6 58.2 -62.6 -21.8 -15.4 -53.2 3.9 10 35 A E G < S+ 0 0 118 -3,-1.2 21,-0.6 2,-0.0 2,-0.4 0.193 91.6 88.2 -93.8 13.8 -16.6 -49.6 3.1 11 36 A I E < -B 30 0A 17 -3,-1.9 2,-0.6 19,-0.1 19,-0.2 -0.939 63.5-154.0-110.5 136.8 -16.9 -50.5 -0.6 12 37 A E E -B 29 0A 132 17,-2.1 17,-2.0 -2,-0.4 2,-0.1 -0.919 19.3-149.7-109.7 104.1 -20.2 -51.9 -2.1 13 38 A V E +B 28 0A 54 -2,-0.6 15,-0.2 15,-0.2 2,-0.2 -0.401 19.8 175.1 -77.7 150.3 -19.3 -53.9 -5.2 14 39 A E E - 0 0 75 13,-2.2 -1,-0.1 1,-0.3 14,-0.1 -0.469 38.6 -20.7-137.1-159.8 -21.7 -54.2 -8.2 15 40 A E E - 0 0 110 -2,-0.2 12,-2.5 11,-0.1 -1,-0.3 -0.094 67.8 -99.7 -62.5 151.0 -21.9 -55.7 -11.7 16 41 A V E +B 26 0A 71 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.435 40.7 168.8 -66.7 138.7 -18.8 -56.5 -13.9 17 42 A V E + 0 0 75 8,-2.5 2,-0.3 1,-0.3 9,-0.2 0.475 58.3 6.0-126.1 -13.4 -18.0 -53.9 -16.4 18 43 A G E -B 25 0A 26 7,-1.6 7,-2.9 68,-0.0 -1,-0.3 -0.994 41.4-155.5-165.6 164.0 -14.5 -55.0 -17.7 19 44 A R - 0 0 156 -2,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.849 22.5-179.8-150.2 113.1 -11.6 -57.5 -17.7 20 45 A G - 0 0 33 2,-0.4 3,-0.1 -2,-0.3 130,-0.0 0.238 60.3 -49.8 -88.7-148.4 -8.1 -56.3 -18.6 21 46 A A S S- 0 0 52 1,-0.2 2,-0.3 129,-0.1 130,-0.0 0.896 127.8 -1.7 -53.7 -44.8 -4.8 -58.2 -18.9 22 47 A F S S+ 0 0 32 26,-0.0 -2,-0.4 23,-0.0 -1,-0.2 -0.986 112.7 19.4-146.6 157.5 -5.6 -59.7 -15.4 23 48 A G S S- 0 0 3 -2,-0.3 2,-0.3 -3,-0.1 17,-0.2 -0.348 77.2 -86.2 80.7-163.9 -8.3 -59.3 -12.8 24 49 A V E - C 0 39A 11 15,-1.4 15,-2.0 -5,-0.2 2,-0.4 -0.995 26.8-141.2-149.7 135.5 -11.8 -58.1 -13.2 25 50 A V E -BC 18 38A 26 -7,-2.9 -8,-2.5 -2,-0.3 -7,-1.6 -0.877 21.7-173.2-107.7 139.8 -13.3 -54.5 -13.0 26 51 A C E -BC 16 37A 6 11,-2.8 11,-1.9 -2,-0.4 -10,-0.2 -0.949 30.0-114.1-130.1 149.6 -16.6 -53.7 -11.4 27 52 A K E + C 0 36A 20 -12,-2.5 -13,-2.2 -2,-0.3 2,-0.3 -0.569 53.5 158.1 -67.2 141.0 -19.0 -50.9 -11.0 28 53 A A E -BC 13 35A 0 7,-2.3 7,-2.3 -15,-0.2 2,-0.3 -0.974 38.3-119.7-160.0 169.6 -19.1 -50.0 -7.2 29 54 A K E +BC 12 34A 95 -17,-2.0 -17,-2.1 -2,-0.3 2,-0.2 -0.902 24.5 173.7-117.1 148.7 -19.9 -47.4 -4.6 30 55 A W E > S-BC 11 33A 10 3,-1.7 3,-0.5 -2,-0.3 -19,-0.1 -0.792 73.8 -12.9-160.2 114.1 -17.5 -45.9 -2.0 31 56 A R T 3 S- 0 0 155 -21,-0.6 3,-0.1 -2,-0.2 -20,-0.1 0.964 129.8 -54.0 51.7 55.6 -18.2 -43.0 0.4 32 57 A A T 3 S+ 0 0 110 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.678 114.4 128.8 54.4 23.0 -21.4 -42.3 -1.7 33 58 A K E < -C 30 0A 91 -3,-0.5 -3,-1.7 47,-0.0 2,-0.3 -0.871 65.0-121.3-111.0 136.9 -19.2 -42.1 -4.8 34 59 A D E +C 29 0A 90 -2,-0.4 47,-0.5 -5,-0.2 2,-0.3 -0.612 50.1 168.7 -71.2 138.5 -19.6 -43.9 -8.1 35 60 A V E -CD 28 80A 0 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.4 -0.971 37.2-136.0-157.0 150.5 -16.5 -45.9 -8.6 36 61 A A E -CD 27 79A 9 43,-2.4 43,-3.5 -2,-0.3 2,-0.4 -0.956 25.1-177.8-113.1 140.6 -14.7 -48.6 -10.6 37 62 A I E -CD 26 78A 0 -11,-1.9 -11,-2.8 -2,-0.4 2,-0.4 -0.999 15.4-151.7-134.4 142.2 -12.6 -51.3 -8.8 38 63 A K E -CD 25 77A 9 39,-1.4 39,-1.6 -2,-0.4 2,-0.3 -0.934 18.6-173.7-109.2 140.8 -10.5 -54.2 -10.1 39 64 A Q E -CD 24 76A 40 -15,-2.0 -15,-1.4 -2,-0.4 2,-0.5 -0.787 32.3-100.0-121.3 163.7 -9.9 -57.3 -8.0 40 65 A I - 0 0 33 35,-0.8 3,-0.1 -2,-0.3 6,-0.0 -0.784 22.8-164.6 -80.6 127.3 -7.8 -60.4 -8.3 41 66 A E S S+ 0 0 110 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.720 80.2 28.2 -77.1 -23.9 -10.0 -63.3 -9.5 42 67 A S S > S- 0 0 52 -3,-0.1 3,-1.8 1,-0.1 -1,-0.2 -0.990 76.7-125.7-141.9 142.5 -7.3 -65.7 -8.4 43 68 A E G > S+ 0 0 142 -2,-0.3 3,-1.6 1,-0.3 4,-0.2 0.767 107.5 70.3 -56.3 -27.8 -4.6 -65.6 -5.6 44 69 A S G 3 S+ 0 0 110 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.728 89.2 61.5 -63.9 -24.1 -2.0 -66.3 -8.4 45 70 A E G <> S+ 0 0 47 -3,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.425 73.8 101.0 -82.7 1.0 -2.5 -62.8 -9.7 46 71 A R H <> S+ 0 0 152 -3,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.893 80.1 49.0 -52.2 -45.7 -1.3 -61.2 -6.5 47 72 A K H >> S+ 0 0 166 -3,-0.5 4,-1.6 -4,-0.2 3,-0.6 0.904 110.8 44.8 -68.5 -48.7 2.2 -60.4 -7.8 48 73 A A H 3> S+ 0 0 48 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.879 111.8 56.3 -61.3 -38.5 1.4 -58.7 -11.1 49 74 A F H 3X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.726 104.7 52.0 -63.7 -28.6 -1.3 -56.7 -9.3 50 75 A I H X S+ 0 0 32 -4,-1.7 3,-1.9 2,-0.2 4,-1.4 0.945 115.1 49.7 -76.4 -56.2 3.6 -47.9 -11.3 56 81 A L H 3< S+ 0 0 16 -4,-2.9 -2,-0.2 1,-0.3 11,-0.2 0.717 102.4 63.8 -57.5 -23.7 0.2 -46.3 -10.8 57 82 A S T 3< S+ 0 0 31 -4,-2.0 -55,-0.9 1,-0.2 -1,-0.3 0.801 108.5 42.1 -66.1 -29.5 1.5 -44.7 -7.5 58 83 A R T <4 S+ 0 0 90 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.762 98.6 86.9 -88.6 -30.0 4.0 -42.8 -9.6 59 84 A V < + 0 0 16 -4,-1.4 2,-0.2 63,-0.0 60,-0.0 -0.402 42.6 161.8 -78.5 153.0 1.8 -41.7 -12.5 60 85 A N + 0 0 125 -2,-0.1 5,-0.1 6,-0.1 6,-0.1 -0.660 17.3 128.6-172.2 106.2 -0.3 -38.6 -12.5 61 86 A H > - 0 0 44 3,-0.2 3,-1.7 -2,-0.2 54,-0.0 -0.978 60.9-112.4-166.2 145.3 -1.8 -37.0 -15.6 62 87 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.740 114.9 49.9 -58.6 -26.7 -5.1 -35.8 -17.0 63 88 A N T 3 S+ 0 0 10 84,-0.1 85,-2.0 2,-0.1 2,-0.4 0.037 96.4 83.4-105.8 23.7 -5.3 -38.5 -19.6 64 89 A I B < S-f 148 0B 6 -3,-1.7 -3,-0.2 83,-0.3 85,-0.2 -0.986 94.0 -94.7-124.6 140.4 -4.6 -41.4 -17.3 65 90 A V - 0 0 7 83,-2.9 2,-0.5 -2,-0.4 -2,-0.1 -0.260 41.6-114.7 -59.6 127.9 -7.3 -42.9 -15.2 66 91 A K - 0 0 113 -4,-0.1 14,-1.8 1,-0.1 2,-0.9 -0.530 21.9-154.8 -65.4 111.6 -7.6 -41.5 -11.6 67 92 A L E - E 0 79A 31 -2,-0.5 12,-0.3 12,-0.2 -63,-0.2 -0.839 9.9-172.8 -82.1 105.2 -6.6 -44.1 -9.1 68 93 A Y E - 0 0 63 10,-1.9 -64,-0.4 -2,-0.9 2,-0.2 0.989 57.7 -48.4 -60.5 -61.0 -8.5 -42.8 -5.9 69 94 A G E - E 0 78A 0 9,-1.3 9,-2.9 -66,-0.1 2,-0.3 -0.845 50.9-130.8-156.9-167.4 -6.9 -45.4 -3.6 70 95 A A E -aE 5 77A 3 -66,-2.0 -64,-3.1 -2,-0.2 2,-0.3 -0.871 8.8-152.0-146.0 177.1 -6.1 -49.1 -3.0 71 96 A a E > - E 0 76A 2 5,-1.9 5,-2.1 -2,-0.3 -64,-0.1 -0.984 16.7-165.8-154.5 155.2 -6.4 -51.8 -0.4 72 97 A L T 5S+ 0 0 106 -2,-0.3 3,-0.4 3,-0.2 -65,-0.1 0.393 72.2 94.8-116.1 -2.6 -4.6 -55.0 0.6 73 98 A N T 5S- 0 0 125 1,-0.5 2,-0.4 3,-0.1 -66,-0.1 0.966 125.4 -8.0 -51.3 -70.5 -7.3 -56.5 2.9 74 99 A P T 5S- 0 0 55 0, 0.0 -1,-0.5 0, 0.0 2,-0.2 -0.957 110.2-103.8-100.5 141.6 -8.2 -58.3 -0.3 75 100 A V T 5 + 0 0 11 -3,-0.4 -35,-0.8 -2,-0.4 2,-0.3 -0.421 62.2 141.6 -72.1 126.4 -5.9 -56.6 -2.8 76 101 A a E < -DE 39 71A 0 -5,-2.1 -5,-1.9 -2,-0.2 2,-0.4 -0.990 42.8-130.0-163.7 152.3 -7.8 -54.1 -5.1 77 102 A L E -DE 38 70A 2 -39,-1.6 -39,-1.4 -2,-0.3 2,-0.6 -0.889 15.6-148.8-110.3 137.4 -7.6 -50.7 -6.9 78 103 A V E +DE 37 69A 0 -9,-2.9 -10,-1.9 -2,-0.4 -9,-1.3 -0.928 26.9 171.0-111.7 111.9 -10.3 -48.0 -6.6 79 104 A M E -DE 36 67A 21 -43,-3.5 -43,-2.4 -2,-0.6 -12,-0.2 -0.615 38.1 -84.5-112.1 170.8 -10.6 -45.8 -9.7 80 105 A E E -D 35 0A 27 -14,-1.8 2,-0.8 -45,-0.2 -45,-0.2 -0.350 48.2-110.0 -67.1 155.0 -12.9 -43.2 -11.1 81 106 A Y - 0 0 65 -47,-0.5 2,-1.1 -46,-0.1 3,-0.1 -0.819 18.7-146.4 -97.5 109.8 -16.0 -44.4 -12.9 82 107 A A > - 0 0 10 -2,-0.8 3,-0.9 1,-0.2 58,-0.2 -0.648 10.4-165.3 -73.2 101.3 -15.9 -43.8 -16.7 83 108 A E T 3 S+ 0 0 113 -2,-1.1 -1,-0.2 1,-0.3 57,-0.1 0.858 89.6 49.2 -58.2 -37.2 -19.6 -43.2 -17.3 84 109 A G T 3 S- 0 0 32 55,-1.2 -1,-0.3 1,-0.2 56,-0.1 0.673 98.0-159.3 -75.4 -19.7 -19.1 -43.6 -21.0 85 110 A G E < +G 139 0B 24 -3,-0.9 54,-2.1 54,-0.5 -1,-0.2 -0.404 47.8 5.9 70.1-149.3 -17.2 -46.8 -20.5 86 111 A S E > -G 138 0B 25 52,-0.2 4,-1.8 1,-0.1 52,-0.2 -0.235 55.0-135.7 -71.5 145.4 -14.8 -48.1 -23.1 87 112 A L H > S+ 0 0 1 50,-3.4 4,-2.3 47,-1.1 5,-0.2 0.883 111.6 59.9 -61.1 -35.4 -13.9 -46.3 -26.3 88 113 A Y H > S+ 0 0 69 46,-1.2 4,-2.7 49,-0.3 5,-0.4 0.887 104.4 48.5 -58.1 -40.5 -14.4 -49.7 -27.9 89 114 A N H > S+ 0 0 85 45,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.890 109.7 51.1 -67.7 -40.2 -18.0 -49.6 -26.7 90 115 A V H < S+ 0 0 13 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.896 118.4 38.1 -64.4 -40.6 -18.6 -46.1 -28.0 91 116 A L H < S+ 0 0 2 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.911 140.8 3.8 -74.5 -46.3 -17.3 -47.0 -31.4 92 117 A H H < S+ 0 0 33 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.416 99.4 111.1-128.1 -2.0 -18.6 -50.5 -31.8 93 118 A G S < S- 0 0 19 -4,-2.1 4,-0.1 -5,-0.4 -4,-0.1 0.309 73.9 -46.3 -74.0-164.3 -20.8 -51.4 -28.8 94 119 A A S S- 0 0 85 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 -0.264 78.4 -62.1 -69.5 152.5 -24.5 -51.9 -28.5 95 120 A E S S+ 0 0 110 -3,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.467 106.1 57.9 -79.2 150.0 -27.1 -49.6 -29.9 96 121 A P S S- 0 0 101 0, 0.0 171,-0.1 0, 0.0 -2,-0.1 0.371 75.6-167.9 -80.9 138.5 -27.9 -46.9 -29.7 97 122 A L E -I 266 0C 15 169,-0.8 169,-1.2 -2,-0.1 2,-0.2 -0.710 22.1-113.7 -86.9 146.5 -24.5 -45.7 -30.7 98 123 A P E -I 265 0C 30 0, 0.0 2,-0.2 0, 0.0 164,-0.1 -0.486 22.8-118.2 -79.7 147.5 -23.6 -42.0 -30.2 99 124 A Y - 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