==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-JUN-13 4L53 . 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 . 296 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 12.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 27.7 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 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 91 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.000 360.0 360.0 360.0-147.0 4.7 -41.2 -5.3 2 27 A S - 0 0 104 55,-1.0 2,-0.4 2,-0.0 0, 0.0 -0.921 360.0-145.4-144.9 166.6 2.0 -42.1 -2.7 3 28 A L - 0 0 38 -2,-0.3 2,-0.5 55,-0.0 66,-0.1 -0.997 18.8-126.3-142.4 133.5 -1.3 -43.9 -2.3 4 29 A H - 0 0 106 64,-0.5 66,-2.2 -2,-0.4 2,-0.3 -0.661 29.5-133.4 -75.3 121.1 -4.4 -43.3 -0.2 5 30 A M B -a 70 0A 117 -2,-0.5 2,-0.4 64,-0.2 66,-0.2 -0.617 24.2-162.8 -76.1 137.2 -5.3 -46.4 1.9 6 31 A I - 0 0 12 64,-2.3 2,-0.5 -2,-0.3 66,-0.3 -0.962 19.4-125.7-126.5 137.3 -9.0 -47.4 1.8 7 32 A D > - 0 0 116 -2,-0.4 3,-0.9 1,-0.1 4,-0.3 -0.738 15.5-146.0 -79.2 125.0 -11.0 -49.6 4.0 8 33 A Y G > S+ 0 0 76 -2,-0.5 3,-1.6 65,-0.3 -1,-0.1 0.835 97.5 63.1 -60.4 -35.8 -12.8 -52.3 1.9 9 34 A K G 3 S+ 0 0 199 1,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.791 96.8 58.4 -59.2 -31.5 -15.8 -52.3 4.3 10 35 A E G < S+ 0 0 127 -3,-0.9 21,-0.5 20,-0.0 2,-0.4 0.588 94.4 83.0 -72.2 -14.1 -16.4 -48.6 3.3 11 36 A I < - 0 0 11 -3,-1.6 2,-0.5 -4,-0.3 19,-0.2 -0.781 66.0-157.1 -92.9 138.3 -16.7 -49.8 -0.4 12 37 A E E -B 29 0A 124 17,-2.1 17,-1.7 -2,-0.4 2,-0.5 -0.953 14.0-144.6-118.3 109.1 -20.1 -51.1 -1.7 13 38 A V E +B 28 0A 61 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.630 22.7 173.7 -84.7 117.9 -19.7 -53.4 -4.8 14 39 A E E - 0 0 104 13,-2.0 -1,-0.1 -2,-0.5 14,-0.1 0.152 49.3 -22.0 -93.7-144.4 -22.4 -53.2 -7.5 15 40 A E E - 0 0 139 11,-0.1 12,-2.6 1,-0.1 2,-0.3 -0.266 64.9-107.8 -74.2 151.2 -22.3 -55.0 -10.9 16 41 A V E +B 26 0A 84 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.605 38.5 173.6 -75.0 135.5 -19.2 -56.3 -12.8 17 42 A V E + 0 0 83 8,-2.0 2,-0.3 -2,-0.3 9,-0.2 0.233 51.5 0.5-133.6 11.7 -18.6 -54.0 -15.8 18 43 A G E -B 25 0A 34 7,-1.1 7,-2.0 2,-0.0 2,-0.3 -0.932 47.8-139.2 168.0 164.0 -15.2 -55.1 -17.4 19 44 A R - 0 0 161 -2,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.895 20.4-172.1-153.1 110.8 -12.1 -57.3 -17.4 20 45 A G - 0 0 29 2,-0.3 3,-0.1 -2,-0.3 116,-0.0 0.190 54.4 -62.3 -85.7-157.6 -8.5 -56.3 -18.1 21 46 A A S S+ 0 0 56 1,-0.2 2,-0.3 129,-0.1 3,-0.0 0.857 124.7 1.3 -58.3 -40.3 -5.2 -58.2 -18.6 22 47 A F S S+ 0 0 28 26,-0.0 -2,-0.3 23,-0.0 -1,-0.2 -0.978 116.4 20.1-144.3 157.6 -5.7 -59.5 -15.0 23 48 A G S S- 0 0 5 -2,-0.3 2,-0.3 -3,-0.1 17,-0.2 -0.286 79.7 -87.9 81.0-170.5 -8.3 -59.0 -12.4 24 49 A V E - C 0 39A 13 15,-1.7 15,-1.4 -5,-0.2 2,-0.4 -0.981 28.5-141.2-146.3 126.8 -11.9 -58.0 -12.8 25 50 A V E +BC 18 38A 31 -7,-2.0 -8,-2.0 -2,-0.3 -7,-1.1 -0.763 23.9 179.5 -96.4 134.7 -13.3 -54.4 -12.8 26 51 A C E -BC 16 37A 5 11,-2.8 11,-2.4 -2,-0.4 -10,-0.2 -0.950 31.1-110.8-132.6 150.1 -16.7 -53.5 -11.2 27 52 A K E + C 0 36A 51 -12,-2.6 -13,-2.0 -2,-0.3 2,-0.3 -0.506 50.6 156.6 -70.0 147.9 -19.0 -50.5 -10.5 28 53 A A E -BC 13 35A 1 7,-2.3 7,-2.3 -15,-0.2 2,-0.3 -0.947 36.7-114.3-162.4 176.2 -19.1 -49.4 -6.9 29 54 A K E +BC 12 34A 98 -17,-1.7 -17,-2.1 -2,-0.3 2,-0.2 -0.950 27.7 168.2-125.3 147.0 -19.8 -46.7 -4.3 30 55 A W - 0 0 31 3,-1.9 -19,-0.1 -2,-0.3 3,-0.0 -0.791 63.7 -20.3-163.2 116.6 -17.4 -45.0 -1.8 31 56 A R S S- 0 0 191 -21,-0.5 3,-0.1 -2,-0.2 -20,-0.1 0.892 125.4 -45.0 56.8 50.9 -17.7 -41.9 0.4 32 57 A A S S+ 0 0 96 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.868 118.8 102.7 61.3 42.5 -20.6 -40.2 -1.5 33 58 A K S S- 0 0 117 -3,-0.0 -3,-1.9 2,-0.0 2,-0.3 -0.994 73.9-115.6-151.2 145.5 -19.1 -40.8 -4.9 34 59 A D E +C 29 0A 108 -2,-0.3 47,-0.8 -5,-0.2 2,-0.3 -0.685 47.6 172.3 -78.3 136.5 -19.5 -43.2 -7.9 35 60 A V E -CD 28 80A 0 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.5 -0.972 34.0-133.5-149.3 151.1 -16.4 -45.3 -8.3 36 61 A A E -CD 27 79A 10 43,-1.9 43,-3.4 -2,-0.3 2,-0.3 -0.970 25.4-166.2-109.3 124.9 -14.9 -48.2 -10.3 37 62 A I E -CD 26 78A 0 -11,-2.4 -11,-2.8 -2,-0.5 2,-0.4 -0.755 10.2-153.2-105.8 159.5 -13.0 -50.9 -8.2 38 63 A K E -CD 25 77A 8 39,-1.3 39,-1.3 -2,-0.3 -13,-0.2 -0.857 17.7-172.7-137.1 97.5 -10.6 -53.6 -9.6 39 64 A Q E -CD 24 76A 41 -15,-1.4 -15,-1.7 -2,-0.4 2,-0.2 -0.496 28.3-102.6 -92.0 157.5 -10.3 -56.8 -7.4 40 65 A I - 0 0 42 35,-1.2 3,-0.1 -17,-0.2 -1,-0.1 -0.560 18.1-161.0 -74.7 139.1 -8.0 -59.8 -7.7 41 66 A E S S+ 0 0 110 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.803 75.8 2.5 -83.8 -37.9 -9.5 -63.0 -9.1 42 67 A S > - 0 0 44 1,-0.0 3,-0.6 3,-0.0 -1,-0.2 -0.931 69.3-111.4-144.6 166.1 -6.7 -65.2 -7.7 43 68 A E G > S+ 0 0 150 -2,-0.3 3,-1.2 1,-0.2 4,-0.3 0.684 107.8 73.6 -70.7 -21.9 -3.6 -65.1 -5.5 44 69 A S G 3 S+ 0 0 104 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.816 96.5 48.3 -61.1 -34.8 -1.4 -65.9 -8.6 45 70 A E G <> S+ 0 0 36 -3,-0.6 4,-1.0 1,-0.2 -1,-0.3 -0.110 80.8 101.6-100.9 33.7 -1.9 -62.4 -10.0 46 71 A R H <> S+ 0 0 90 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.912 79.0 52.0 -78.3 -47.7 -1.1 -60.5 -6.7 47 72 A K H > S+ 0 0 185 -3,-0.3 4,-1.6 -4,-0.3 -1,-0.1 0.820 109.7 49.9 -60.9 -35.7 2.5 -59.6 -7.8 48 73 A A H > S+ 0 0 31 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 109.3 51.9 -65.7 -43.7 1.2 -58.1 -11.1 49 74 A F H X S+ 0 0 0 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.788 108.8 51.2 -65.2 -30.8 -1.4 -56.0 -9.2 50 75 A I H X S+ 0 0 82 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.897 108.8 49.3 -72.5 -44.5 1.3 -54.6 -6.8 51 76 A V H X S+ 0 0 59 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.895 111.2 50.9 -61.1 -40.9 3.6 -53.5 -9.7 52 77 A E H X S+ 0 0 12 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.878 110.1 50.3 -59.2 -41.3 0.5 -51.8 -11.3 53 78 A L H X S+ 0 0 27 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.897 108.8 51.5 -64.5 -42.6 -0.1 -50.1 -7.9 54 79 A R H < S+ 0 0 127 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.830 114.7 42.9 -64.2 -35.7 3.5 -48.9 -7.7 55 80 A Q H >X S+ 0 0 27 -4,-1.8 4,-1.5 2,-0.2 3,-1.3 0.936 112.5 51.3 -74.3 -50.1 3.3 -47.4 -11.2 56 81 A L H 3< S+ 0 0 15 -4,-2.8 11,-0.2 1,-0.3 -2,-0.2 0.802 102.9 61.2 -57.6 -32.6 -0.2 -45.8 -10.7 57 82 A S T 3< S+ 0 0 30 -4,-1.9 -55,-1.0 1,-0.2 -1,-0.3 0.792 109.4 43.0 -63.2 -29.0 1.0 -44.2 -7.5 58 83 A R T <4 S+ 0 0 70 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.766 96.7 87.5 -86.9 -33.1 3.7 -42.3 -9.5 59 84 A V < + 0 0 18 -4,-1.5 2,-0.2 63,-0.0 60,-0.0 -0.451 43.5 167.4 -76.2 143.2 1.6 -41.2 -12.6 60 85 A N + 0 0 139 -2,-0.1 6,-0.1 6,-0.1 5,-0.1 -0.663 19.9 128.3-157.6 99.6 -0.4 -38.0 -12.6 61 86 A H > - 0 0 43 3,-0.2 3,-1.7 -2,-0.2 54,-0.0 -0.994 61.3-116.8-156.5 141.5 -1.9 -36.6 -15.9 62 87 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.744 112.9 52.1 -57.6 -25.1 -5.3 -35.5 -17.1 63 88 A N T 3 S+ 0 0 11 48,-0.1 85,-2.1 84,-0.1 2,-0.4 -0.058 95.8 78.9-103.7 28.6 -5.6 -38.3 -19.7 64 89 A I B < S-f 148 0B 4 -3,-1.7 -3,-0.2 83,-0.3 85,-0.2 -0.994 95.7 -92.0-131.4 137.2 -4.8 -41.2 -17.3 65 90 A V - 0 0 8 83,-2.2 2,-0.3 -2,-0.4 -2,-0.1 -0.197 41.1-118.3 -49.2 127.5 -7.5 -42.7 -15.0 66 91 A K - 0 0 124 -4,-0.1 14,-1.8 -6,-0.1 2,-0.7 -0.580 21.8-151.5 -66.3 126.6 -7.5 -41.0 -11.6 67 92 A L E - E 0 79A 37 -2,-0.3 12,-0.3 12,-0.2 -63,-0.2 -0.942 10.6-172.2 -99.5 109.8 -6.7 -43.6 -8.9 68 93 A Y E - 0 0 73 10,-1.8 -64,-0.5 -2,-0.7 2,-0.3 0.964 58.3 -61.5 -65.8 -51.6 -8.4 -42.5 -5.7 69 94 A G E - E 0 78A 0 9,-1.4 9,-3.2 -66,-0.1 2,-0.3 -0.923 47.5-107.7-170.7-166.6 -6.7 -45.2 -3.6 70 95 A A E -aE 5 77A 2 -66,-2.2 -64,-2.3 -2,-0.3 2,-0.3 -0.969 11.3-138.3-142.6 157.1 -6.2 -48.9 -2.9 71 96 A C E > - E 0 76A 2 5,-2.6 5,-1.7 -2,-0.3 -64,-0.1 -0.884 4.4-161.9-109.3 149.3 -7.1 -51.6 -0.4 72 97 A L E 5S+ E 0 75A 92 -2,-0.3 3,-0.3 -66,-0.3 -1,-0.1 0.669 75.8 62.8-103.1 -25.8 -4.5 -54.2 0.8 73 98 A N T 5S+ 0 0 145 1,-0.6 -65,-0.3 3,-0.1 -1,-0.3 -0.829 122.3 15.1-143.3 101.6 -6.9 -56.9 2.2 74 99 A P T 5S- 0 0 51 0, 0.0 -1,-0.6 0, 0.0 2,-0.5 0.664 109.7-120.3 -70.8 163.5 -8.5 -57.8 -0.2 75 100 A V E 5 + E 0 72A 5 -3,-0.3 -35,-1.2 -2,-0.1 2,-0.3 -0.620 52.0 142.9 -78.5 120.4 -6.2 -56.3 -2.8 76 101 A C E < -DE 39 71A 0 -5,-1.7 -5,-2.6 -2,-0.5 2,-0.4 -0.966 43.7-131.3-158.8 147.4 -8.0 -53.7 -5.0 77 102 A L E -DE 38 70A 1 -39,-1.3 -39,-1.3 -2,-0.3 2,-0.6 -0.841 18.7-146.5 -97.2 130.6 -7.5 -50.4 -6.9 78 103 A V E +DE 37 69A 0 -9,-3.2 -10,-1.8 -2,-0.4 -9,-1.4 -0.886 29.7 172.6-100.6 114.7 -10.2 -47.7 -6.4 79 104 A M E -DE 36 67A 19 -43,-3.4 -43,-1.9 -2,-0.6 -12,-0.2 -0.637 37.6 -83.6-117.3 170.2 -10.6 -45.6 -9.6 80 105 A E E -D 35 0A 21 -14,-1.8 2,-0.8 -45,-0.2 -45,-0.2 -0.491 46.2-113.4 -69.6 142.0 -12.8 -42.9 -11.1 81 106 A Y - 0 0 63 -47,-0.8 2,-1.1 -2,-0.2 3,-0.1 -0.740 24.0-142.3 -78.2 110.1 -16.0 -44.1 -12.6 82 107 A A > - 0 0 11 -2,-0.8 3,-1.5 1,-0.2 58,-0.1 -0.697 12.4-159.8 -74.1 102.5 -15.7 -43.4 -16.3 83 108 A E T 3 S+ 0 0 123 -2,-1.1 57,-0.2 1,-0.3 -1,-0.2 0.898 84.5 51.5 -49.2 -51.4 -19.3 -42.3 -17.0 84 109 A G T 3 S- 0 0 33 55,-1.4 -1,-0.3 1,-0.2 56,-0.2 0.426 99.6-138.7 -74.4 -2.7 -19.0 -42.9 -20.8 85 110 A G < - 0 0 27 -3,-1.5 54,-2.2 54,-0.3 -1,-0.2 -0.294 49.1 -24.7 73.8-163.2 -17.6 -46.5 -20.7 86 111 A S B > -G 138 0B 26 52,-0.2 4,-1.4 1,-0.1 52,-0.3 -0.435 52.9-123.2 -80.3 157.1 -14.8 -47.7 -23.0 87 112 A L H > S+ 0 0 1 50,-3.2 4,-2.8 47,-1.0 5,-0.3 0.911 113.3 61.1 -61.6 -41.5 -14.1 -46.2 -26.5 88 113 A Y H > S+ 0 0 72 46,-1.4 4,-3.1 49,-0.3 5,-0.4 0.909 105.2 47.0 -49.2 -48.2 -14.6 -49.7 -27.9 89 114 A N H > S+ 0 0 90 3,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.823 111.6 50.4 -67.2 -34.1 -18.2 -49.7 -26.6 90 115 A V H < S+ 0 0 14 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.890 119.3 37.4 -68.7 -42.3 -18.8 -46.1 -28.0 91 116 A L H < S+ 0 0 2 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.928 139.7 7.7 -72.1 -47.4 -17.5 -47.1 -31.5 92 117 A H H < S+ 0 0 37 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.411 98.4 111.9-122.7 -1.6 -18.8 -50.7 -31.8 93 118 A G S < S- 0 0 22 -4,-1.4 4,-0.1 -5,-0.4 2,-0.1 0.323 74.1 -46.4 -73.6-164.3 -21.2 -51.4 -28.9 94 119 A A S S- 0 0 86 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 -0.372 78.8 -73.8 -67.5 140.1 -24.9 -52.1 -28.5 95 120 A E S S+ 0 0 135 -3,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.412 105.5 67.0 -69.7 149.7 -27.3 -49.7 -30.4 96 121 A P S S- 0 0 110 0, 0.0 172,-0.1 0, 0.0 -2,-0.1 0.365 75.1-173.8 -77.9 131.2 -28.3 -46.9 -30.0 97 122 A L E -I 267 0C 13 170,-0.7 170,-1.5 -2,-0.1 2,-0.3 -0.622 24.4-110.0 -86.9 152.6 -24.7 -45.8 -30.8 98 123 A P E -I 266 0C 30 0, 0.0 2,-0.2 0, 0.0 165,-0.1 -0.627 23.8-117.7 -83.3 145.8 -23.9 -42.1 -30.5 99 124 A Y - 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