==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUN-07 2JRH . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.QI,Z.JIAHAI,W.JIHUI,S.YUNYU . 93 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A Q 0 0 157 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 91.1 7.4 -19.3 3.6 2 2 A S + 0 0 110 1,-0.1 18,-0.1 18,-0.0 17,-0.0 -0.894 360.0 37.2-126.5 156.8 3.7 -18.7 3.2 3 3 A D - 0 0 97 -2,-0.3 2,-0.6 1,-0.1 17,-0.2 0.839 69.5-130.1 70.2 109.2 1.2 -15.9 4.1 4 4 A V E -A 19 0A 15 15,-3.3 15,-1.4 -3,-0.1 2,-0.7 -0.816 14.4-148.6 -94.9 116.4 2.5 -12.4 3.6 5 5 A R E -Ab 18 74A 153 68,-0.7 70,-0.5 -2,-0.6 2,-0.5 -0.747 17.1-173.3 -87.2 115.4 2.0 -10.1 6.7 6 6 A I E -Ab 17 75A 12 11,-2.9 11,-2.2 -2,-0.7 2,-0.6 -0.941 12.1-152.4-114.3 126.5 1.5 -6.5 5.6 7 7 A K E -Ab 16 76A 105 68,-1.4 70,-1.4 -2,-0.5 2,-0.4 -0.863 12.8-164.5-100.6 115.4 1.3 -3.7 8.1 8 8 A F E -Ab 15 77A 4 7,-2.4 7,-1.8 -2,-0.6 2,-0.4 -0.809 1.3-160.1-101.6 138.9 -0.8 -0.6 7.0 9 9 A E E +Ab 14 78A 85 68,-1.2 70,-1.4 -2,-0.4 2,-0.4 -0.974 15.1 167.9-122.4 128.2 -0.6 2.8 8.7 10 10 A H E > S-A 13 0A 62 3,-2.2 3,-1.6 -2,-0.4 70,-0.1 -0.917 74.8 -21.9-142.9 112.0 -3.3 5.5 8.4 11 11 A N T 3 S- 0 0 159 -2,-0.4 3,-0.1 1,-0.3 69,-0.0 0.837 127.2 -52.0 59.2 34.1 -3.5 8.5 10.6 12 12 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 0, 0.0 2,-0.0 -0.020 111.9 124.1 93.7 -31.0 -1.4 6.7 13.2 13 13 A E E < -A 10 0A 111 -3,-1.6 -3,-2.2 -4,-0.1 2,-0.4 -0.343 48.5-150.4 -65.4 143.0 -3.7 3.6 13.2 14 14 A R E -A 9 0A 158 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.924 13.5-175.7-119.7 143.5 -2.2 0.3 12.5 15 15 A R E -A 8 0A 138 -7,-1.8 -7,-2.4 -2,-0.4 2,-0.6 -0.998 15.0-147.6-140.9 134.9 -3.7 -2.8 10.8 16 16 A I E +A 7 0A 86 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.899 22.2 173.6-105.8 118.2 -2.3 -6.3 10.2 17 17 A I E -A 6 0A 44 -11,-2.2 -11,-2.9 -2,-0.6 2,-0.3 -0.988 18.0-147.7-128.3 129.9 -3.4 -8.1 7.0 18 18 A A E -A 5 0A 49 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.688 10.9-159.7 -95.5 147.4 -2.2 -11.4 5.7 19 19 A F E -A 4 0A 19 -15,-1.4 -15,-3.3 -2,-0.3 2,-0.6 -0.985 13.2-134.9-130.4 138.8 -2.0 -12.3 2.0 20 20 A S - 0 0 95 -2,-0.4 -18,-0.0 -17,-0.2 -2,-0.0 -0.815 45.5 -88.0 -95.0 119.8 -1.8 -15.7 0.2 21 21 A R S S+ 0 0 107 -2,-0.6 2,-0.1 2,-0.1 -18,-0.0 -0.335 105.5 59.8 -68.6 150.3 0.8 -15.9 -2.6 22 22 A P S S- 0 0 115 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 0.459 77.9-173.6 -72.7 144.4 0.9 -15.4 -5.4 23 23 A V - 0 0 43 -2,-0.1 2,-0.4 -4,-0.1 -2,-0.1 -0.936 8.6-156.8-113.2 123.6 -0.1 -11.8 -4.6 24 24 A K > - 0 0 115 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 -0.813 19.5-135.6-101.0 137.5 -0.8 -9.3 -7.4 25 25 A Y H > S+ 0 0 26 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.875 108.4 52.3 -54.8 -40.4 -0.5 -5.5 -6.9 26 26 A E H > S+ 0 0 156 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 110.9 46.2 -63.2 -45.3 -3.9 -5.1 -8.7 27 27 A D H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.915 114.2 47.7 -64.4 -44.4 -5.6 -7.5 -6.4 28 28 A V H X S+ 0 0 14 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.932 111.6 50.2 -62.5 -46.8 -4.1 -6.0 -3.3 29 29 A E H X S+ 0 0 76 -4,-2.7 4,-3.6 -5,-0.2 5,-0.3 0.918 108.1 53.0 -58.0 -46.1 -5.0 -2.5 -4.3 30 30 A H H X S+ 0 0 136 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.893 114.8 41.9 -57.1 -42.1 -8.6 -3.5 -5.0 31 31 A K H X S+ 0 0 121 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.941 119.5 42.2 -71.1 -49.8 -8.9 -5.0 -1.5 32 32 A V H X S+ 0 0 9 -4,-3.2 4,-2.3 1,-0.2 5,-0.4 0.892 111.1 56.3 -64.8 -41.5 -7.0 -2.1 0.3 33 33 A T H X S+ 0 0 23 -4,-3.6 4,-1.8 -5,-0.3 -1,-0.2 0.876 109.8 46.1 -58.8 -39.4 -8.8 0.6 -1.8 34 34 A T H < S+ 0 0 102 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.862 110.0 54.7 -71.9 -36.8 -12.2 -0.8 -0.6 35 35 A V H < S+ 0 0 90 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.960 126.0 19.8 -61.2 -55.2 -11.1 -1.1 3.0 36 36 A F H < S- 0 0 57 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.664 113.9-122.8 -90.0 -19.7 -10.0 2.6 3.4 37 37 A G < - 0 0 17 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.1 -0.447 39.8 -30.2 105.1 179.2 -11.9 3.9 0.4 38 38 A Q S S+ 0 0 134 1,-0.2 2,-0.1 -2,-0.1 43,-0.0 -0.970 99.4 30.0-139.9 154.2 -11.0 5.8 -2.8 39 39 A P S S+ 0 0 93 0, 0.0 43,-0.6 0, 0.0 2,-0.3 0.483 78.7 148.7 -85.8 148.7 -9.3 7.7 -4.1 40 40 A L E -C 81 0A 55 41,-0.2 2,-0.4 42,-0.1 41,-0.2 -0.948 37.8-129.8-138.7 158.6 -6.1 6.9 -2.1 41 41 A D E -C 80 0A 63 39,-1.7 39,-1.2 -2,-0.3 2,-0.7 -0.895 13.0-140.2-113.3 140.4 -2.3 6.9 -2.6 42 42 A L E -C 79 0A 24 -2,-0.4 11,-1.0 11,-0.3 2,-0.5 -0.861 20.8-173.8-102.7 107.1 0.1 4.0 -1.8 43 43 A H E -CD 78 52A 46 35,-2.0 35,-2.1 -2,-0.7 2,-0.5 -0.880 2.9-167.1-104.0 125.6 3.4 5.3 -0.3 44 44 A Y E -CD 77 51A 13 7,-1.1 7,-1.7 -2,-0.5 2,-0.4 -0.938 4.3-175.4-114.5 130.3 6.2 2.8 0.3 45 45 A M E - D 0 50A 70 31,-1.3 5,-0.2 -2,-0.5 31,-0.2 -0.980 12.4-179.3-128.6 122.2 9.3 3.6 2.4 46 46 A N - 0 0 66 3,-1.8 -1,-0.2 -2,-0.4 4,-0.1 0.964 61.7 -83.5 -79.9 -59.7 12.2 1.3 2.9 47 47 A N S S+ 0 0 127 2,-0.7 3,-0.1 0, 0.0 -2,-0.0 0.036 114.0 17.5-175.0 -55.7 14.4 3.4 5.1 48 48 A E S S+ 0 0 193 1,-0.2 2,-0.4 0, 0.0 -3,-0.0 0.663 124.0 45.9-106.8 -26.3 16.6 5.9 3.2 49 49 A L - 0 0 132 2,-0.0 -3,-1.8 0, 0.0 -2,-0.7 -0.935 65.5-153.9-123.4 145.7 14.7 5.9 -0.1 50 50 A S E -D 45 0A 74 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.964 9.2-171.8-120.8 132.8 10.9 6.1 -0.9 51 51 A I E -D 44 0A 53 -7,-1.7 -7,-1.1 -2,-0.4 2,-0.6 -0.984 20.6-132.7-126.9 132.5 9.2 4.7 -4.0 52 52 A L E -D 43 0A 47 -2,-0.4 2,-0.7 -9,-0.2 -9,-0.2 -0.725 26.1-124.5 -85.3 119.0 5.6 5.3 -5.1 53 53 A L + 0 0 13 -11,-1.0 -11,-0.3 -2,-0.6 3,-0.1 -0.493 52.6 145.6 -65.9 105.7 4.0 2.0 -6.1 54 54 A K + 0 0 157 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.709 64.2 13.7-110.9 -35.8 2.7 2.7 -9.7 55 55 A N S >> S- 0 0 105 1,-0.0 4,-1.0 -30,-0.0 3,-0.9 -0.852 83.6 -95.8-136.5 171.9 3.1 -0.7 -11.4 56 56 A Q H 3> S+ 0 0 74 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.800 117.4 69.3 -58.2 -29.9 3.8 -4.4 -10.5 57 57 A D H 3> S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 98.8 47.7 -56.3 -43.5 7.5 -3.7 -11.1 58 58 A D H <> S+ 0 0 44 -3,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.829 107.9 57.8 -66.9 -32.2 7.7 -1.5 -8.0 59 59 A L H X S+ 0 0 29 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.916 108.7 42.9 -64.9 -45.4 5.9 -4.2 -6.0 60 60 A D H X S+ 0 0 77 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.832 108.8 60.0 -70.6 -31.8 8.5 -6.9 -6.8 61 61 A K H X S+ 0 0 109 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.875 103.8 50.8 -62.8 -38.0 11.3 -4.5 -6.2 62 62 A A H X S+ 0 0 6 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.903 111.4 46.9 -66.4 -43.0 10.1 -4.0 -2.6 63 63 A I H X S+ 0 0 51 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.898 106.9 57.9 -66.3 -41.7 10.0 -7.7 -1.9 64 64 A D H X S+ 0 0 88 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.909 109.0 45.0 -55.2 -45.5 13.5 -8.3 -3.4 65 65 A I H X S+ 0 0 54 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.886 113.3 50.9 -66.6 -39.3 15.0 -5.8 -0.9 66 66 A L H < S+ 0 0 23 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.906 106.0 55.0 -64.6 -43.7 13.0 -7.3 2.0 67 67 A D H < S+ 0 0 92 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.895 105.1 53.1 -57.2 -42.7 14.2 -10.8 1.1 68 68 A R H < S+ 0 0 204 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.824 99.4 79.7 -62.7 -32.0 17.8 -9.7 1.3 69 69 A S S >< S- 0 0 54 -4,-1.1 3,-0.7 -3,-0.4 0, 0.0 -0.510 81.4-134.7 -79.0 146.2 17.2 -8.3 4.7 70 70 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.1 0.688 101.9 68.1 -71.6 -18.7 17.1 -10.7 7.8 71 71 A S T > + 0 0 74 -5,-0.1 2,-1.8 2,-0.0 3,-0.5 -0.136 63.2 146.2 -93.6 38.2 13.9 -8.9 9.0 72 72 A M T < + 0 0 32 -3,-0.7 3,-0.1 1,-0.2 -1,-0.0 -0.564 39.0 90.0 -78.3 84.7 11.8 -10.3 6.1 73 73 A K T 3 S+ 0 0 157 -2,-1.8 -68,-0.7 1,-0.6 2,-0.2 0.474 82.2 25.4-138.9 -59.0 8.5 -10.6 7.9 74 74 A S E < -b 5 0A 45 -3,-0.5 -1,-0.6 -70,-0.1 2,-0.4 -0.679 67.8-129.3-113.0 168.2 6.3 -7.5 7.7 75 75 A L E -b 6 0A 15 -70,-0.5 -68,-1.4 -2,-0.2 2,-1.1 -0.956 8.4-139.0-122.6 138.8 6.1 -4.6 5.2 76 76 A R E +b 7 0A 123 -2,-0.4 -31,-1.3 -31,-0.2 2,-0.5 -0.732 39.1 156.5 -97.3 87.6 6.1 -0.9 6.0 77 77 A I E -bC 8 44A 15 -70,-1.4 -68,-1.2 -2,-1.1 2,-0.5 -0.955 20.5-167.6-117.7 118.2 3.5 0.6 3.6 78 78 A L E -bC 9 43A 43 -35,-2.1 -35,-2.0 -2,-0.5 2,-0.4 -0.904 2.4-164.1-108.5 128.6 1.8 3.9 4.5 79 79 A L E - C 0 42A 4 -70,-1.4 2,-0.3 -2,-0.5 -68,-0.2 -0.915 8.7-179.8-113.8 136.6 -1.3 5.2 2.7 80 80 A L E - C 0 41A 88 -39,-1.2 -39,-1.7 -2,-0.4 2,-0.1 -0.979 30.0-108.2-135.6 148.2 -2.6 8.7 2.8 81 81 A S E - C 0 40A 72 -2,-0.3 -41,-0.2 -41,-0.2 -43,-0.0 -0.413 21.8-130.6 -72.6 147.4 -5.5 10.6 1.2 82 82 A Q - 0 0 131 -43,-0.6 -1,-0.1 -2,-0.1 -42,-0.1 0.424 50.2-118.1 -78.8 3.4 -4.9 13.0 -1.6 83 83 A D S S+ 0 0 107 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.721 77.8 37.4 63.0 127.4 -7.0 15.6 0.2 84 84 A R S S- 0 0 213 1,-0.0 2,-0.3 2,-0.0 -2,-0.1 0.666 75.3-128.4 72.3 125.8 -10.2 17.0 -1.4 85 85 A N - 0 0 101 2,-0.0 2,-0.7 -3,-0.0 -1,-0.0 -0.726 7.9-128.6-106.0 155.8 -12.5 14.8 -3.5 86 86 A L + 0 0 180 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.858 59.4 117.4-107.3 100.5 -13.9 15.3 -7.0 87 87 A E + 0 0 143 -2,-0.7 -1,-0.1 0, 0.0 -2,-0.0 -0.288 34.6 176.0-160.2 63.3 -17.7 14.8 -7.0 88 88 A H - 0 0 181 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.168 11.4-170.3 -67.9 165.3 -19.6 18.0 -8.0 89 89 A H - 0 0 171 1,-0.3 2,-0.3 0, 0.0 -1,-0.1 0.663 52.7 -34.3-120.4 -69.5 -23.4 18.2 -8.5 90 90 A H + 0 0 148 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.987 50.0 177.8-159.6 156.8 -24.7 21.4 -10.0 91 91 A H - 0 0 173 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.987 35.6 -92.0-161.2 155.3 -24.0 25.2 -10.1 92 92 A H 0 0 174 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.394 360.0 360.0 -71.2 146.6 -25.3 28.4 -11.7 93 93 A H 0 0 257 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.759 360.0 360.0 -93.9 360.0 -23.6 29.6 -14.9