==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-07 2PPH . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.HU,J.ZHANG,J.WU,Y.SHI . 93 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8083.0 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 . 5 5.4 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 . 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 . 17 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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 . 21 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 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 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 0 227 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 41.2 141.1 -9.5 10.9 2 2 A S + 0 0 53 1,-0.1 18,-0.0 18,-0.1 2,-0.0 -0.551 360.0 93.4-149.8 78.1 142.2 -8.9 7.3 3 3 A D - 0 0 107 17,-0.2 2,-0.3 -2,-0.1 17,-0.3 -0.382 44.9-172.8-169.8 80.3 142.0 -5.3 6.1 4 4 A V E -A 19 0A 14 15,-3.1 15,-2.4 -3,-0.1 2,-0.7 -0.630 18.8-138.5 -82.1 134.8 145.0 -3.0 6.5 5 5 A R E -A 18 0A 144 68,-0.3 70,-0.8 -2,-0.3 2,-0.4 -0.842 24.3-177.7 -98.0 113.0 144.5 0.7 5.7 6 6 A I E -Ab 17 75A 6 11,-2.8 11,-2.3 -2,-0.7 2,-0.6 -0.929 16.6-148.4-114.6 134.1 147.4 2.2 3.7 7 7 A K E -Ab 16 76A 123 68,-1.6 70,-1.2 -2,-0.4 2,-0.3 -0.885 16.0-167.5-104.3 114.7 147.6 5.8 2.6 8 8 A F E -Ab 15 77A 11 7,-2.3 7,-2.4 -2,-0.6 2,-0.4 -0.791 1.8-165.5-102.5 143.5 149.5 6.4 -0.7 9 9 A E E +Ab 14 78A 52 68,-0.8 70,-1.3 -2,-0.3 2,-0.4 -0.992 10.6 172.6-133.0 129.5 150.6 9.8 -1.9 10 10 A H E > S-A 13 0A 54 3,-2.6 3,-2.0 -2,-0.4 70,-0.1 -0.948 75.6 -19.4-139.2 115.1 151.8 10.8 -5.5 11 11 A N T 3 S- 0 0 168 -2,-0.4 3,-0.1 68,-0.3 -1,-0.1 0.833 129.2 -50.5 59.0 34.3 152.5 14.4 -6.5 12 12 A G T 3 S+ 0 0 47 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.236 112.6 124.1 89.4 -14.2 150.5 15.7 -3.5 13 13 A E E < -A 10 0A 138 -3,-2.0 -3,-2.6 2,-0.0 2,-0.3 -0.718 46.4-159.1 -85.1 119.4 147.5 13.4 -4.4 14 14 A R E -A 9 0A 163 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.728 9.5-174.7-100.0 149.0 146.5 11.1 -1.5 15 15 A R E -A 8 0A 137 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.6 -0.999 20.3-135.5-144.4 143.7 144.5 7.9 -1.8 16 16 A I E +A 7 0A 127 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.881 28.6 173.5-103.0 118.8 143.1 5.4 0.6 17 17 A I E -A 6 0A 34 -11,-2.3 -11,-2.8 -2,-0.6 2,-0.4 -0.985 17.9-149.3-129.0 135.9 143.6 1.7 -0.2 18 18 A A E -A 5 0A 72 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.829 7.5-163.8-105.1 140.9 142.7 -1.4 1.9 19 19 A F E -A 4 0A 26 -15,-2.4 -15,-3.1 -2,-0.4 2,-0.4 -0.974 16.7-134.5-128.3 119.8 144.6 -4.7 1.7 20 20 A S - 0 0 80 -2,-0.4 -17,-0.2 -17,-0.3 -18,-0.1 -0.557 49.4 -73.8 -73.6 125.8 143.3 -8.0 3.1 21 21 A R S S+ 0 0 103 -2,-0.4 -1,-0.1 2,-0.1 2,-0.1 -0.275 114.0 56.6 -63.2 148.2 145.8 -9.9 5.2 22 22 A P S S- 0 0 116 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 0.364 81.9-155.2 -77.2 134.0 148.2 -11.4 4.6 23 23 A V - 0 0 26 -4,-0.1 2,-0.4 -2,-0.1 -2,-0.1 -0.655 11.2-164.0 -79.6 114.3 149.5 -8.3 2.9 24 24 A K > - 0 0 87 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.812 24.4-136.4-102.5 140.6 152.1 -9.3 0.3 25 25 A Y H > S+ 0 0 23 -2,-0.4 4,-3.7 1,-0.2 5,-0.3 0.869 106.6 56.3 -59.1 -38.5 154.6 -6.9 -1.4 26 26 A E H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 109.2 45.1 -60.4 -45.1 153.9 -8.5 -4.8 27 27 A D H > S+ 0 0 107 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.904 119.3 41.6 -66.3 -42.3 150.1 -7.9 -4.5 28 28 A V H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.939 118.1 45.1 -70.3 -49.0 150.7 -4.3 -3.3 29 29 A E H X S+ 0 0 52 -4,-3.7 4,-3.1 1,-0.2 5,-0.2 0.908 110.9 53.7 -61.7 -44.5 153.5 -3.5 -5.7 30 30 A H H X S+ 0 0 114 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.881 110.2 48.6 -58.5 -39.0 151.7 -5.1 -8.7 31 31 A K H X S+ 0 0 116 -4,-1.4 4,-2.8 -5,-0.2 -2,-0.2 0.935 113.4 45.3 -67.1 -47.6 148.7 -2.8 -7.9 32 32 A V H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 5,-0.4 0.913 113.3 50.3 -62.5 -44.3 150.8 0.3 -7.6 33 33 A T H X>S+ 0 0 37 -4,-3.1 4,-1.7 1,-0.2 5,-0.5 0.875 114.3 44.9 -62.4 -39.1 152.7 -0.5 -10.8 34 34 A T H <5S+ 0 0 114 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.918 113.4 49.0 -71.7 -45.1 149.5 -1.1 -12.7 35 35 A V H <5S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.942 125.0 29.1 -60.1 -50.2 147.7 2.0 -11.4 36 36 A F H <5S- 0 0 67 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.739 101.0-133.8 -82.3 -25.2 150.6 4.3 -12.2 37 37 A G T <5S+ 0 0 55 -4,-1.7 -3,-0.2 -5,-0.4 -4,-0.1 0.724 73.6 85.3 78.0 22.1 151.8 2.2 -15.1 38 38 A Q S > S- 0 0 74 1,-0.0 4,-1.3 -30,-0.0 3,-0.7 -0.832 83.5 -87.1-142.8-179.9 162.0 -7.1 -0.8 56 56 A Q H 3> S+ 0 0 77 -2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.837 118.9 68.3 -61.2 -33.6 159.3 -8.7 1.5 57 57 A D H 3> S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 100.3 48.0 -53.1 -42.8 161.8 -8.6 4.4 58 58 A D H <> S+ 0 0 45 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.916 115.2 44.1 -65.3 -44.6 161.6 -4.8 4.4 59 59 A L H X S+ 0 0 8 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.889 111.5 53.9 -67.8 -40.1 157.7 -4.9 4.3 60 60 A D H X S+ 0 0 96 -4,-3.6 4,-2.4 1,-0.2 -2,-0.2 0.911 110.4 46.7 -61.2 -43.2 157.6 -7.7 6.9 61 61 A K H X S+ 0 0 150 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.910 113.0 49.8 -64.5 -44.0 159.7 -5.6 9.3 62 62 A A H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.914 113.7 44.4 -62.2 -45.7 157.6 -2.5 8.7 63 63 A I H X S+ 0 0 23 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.906 110.4 55.5 -66.5 -42.2 154.3 -4.3 9.3 64 64 A D H X S+ 0 0 102 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.912 113.1 41.2 -56.8 -45.6 155.6 -6.1 12.4 65 65 A I H X S+ 0 0 83 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.896 114.6 51.9 -70.3 -41.2 156.6 -2.8 14.0 66 66 A L H < S+ 0 0 13 -4,-2.3 3,-0.3 1,-0.2 6,-0.2 0.927 110.7 47.4 -61.3 -46.8 153.4 -1.0 12.9 67 67 A D H < S+ 0 0 94 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.875 108.3 56.4 -62.3 -38.4 151.2 -3.7 14.3 68 68 A R H < S+ 0 0 213 -4,-1.6 2,-1.0 -5,-0.3 -1,-0.2 0.830 95.5 74.2 -62.4 -33.8 153.2 -3.7 17.6 69 69 A S < - 0 0 40 -4,-1.5 3,-0.4 -3,-0.3 -1,-0.1 -0.736 62.1-172.1 -87.7 103.1 152.4 0.1 17.9 70 70 A S S S+ 0 0 112 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.819 84.4 62.8 -61.8 -31.9 148.8 0.4 19.0 71 71 A S S S+ 0 0 107 -3,-0.1 -1,-0.2 2,-0.0 -5,-0.1 0.900 92.0 77.5 -60.3 -42.7 149.1 4.2 18.5 72 72 A M + 0 0 72 -3,-0.4 3,-0.1 -6,-0.2 0, 0.0 -0.324 48.3 158.7 -68.6 151.4 149.8 3.8 14.8 73 73 A K + 0 0 181 1,-0.4 -68,-0.3 -2,-0.0 -1,-0.1 0.494 55.1 41.0-135.8 -64.7 146.9 3.0 12.4 74 74 A S S S- 0 0 35 -70,-0.1 2,-0.5 -68,-0.1 -1,-0.4 -0.335 79.3-111.8 -88.4 173.0 147.6 3.8 8.7 75 75 A L E -b 6 0A 9 -70,-0.8 -68,-1.6 -2,-0.1 2,-0.8 -0.935 17.3-146.0-113.0 125.8 150.8 3.2 6.7 76 76 A R E +b 7 0A 183 -2,-0.5 -31,-0.7 -31,-0.1 2,-0.4 -0.792 30.9 162.8 -92.6 107.5 152.9 6.1 5.5 77 77 A I E -bC 8 44A 11 -70,-1.2 -68,-0.8 -2,-0.8 2,-0.5 -0.991 26.9-147.8-129.6 132.3 154.5 5.2 2.1 78 78 A L E -bC 9 43A 61 -35,-1.6 -35,-1.5 -2,-0.4 2,-0.5 -0.860 12.6-144.7-102.1 127.4 156.0 7.6 -0.5 79 79 A L E + C 0 42A 12 -70,-1.3 2,-0.4 -2,-0.5 -68,-0.3 -0.784 22.1 177.7 -93.7 127.7 155.7 6.7 -4.2 80 80 A L E - C 0 41A 61 -39,-1.5 -39,-2.5 -2,-0.5 2,-1.4 -0.982 33.7-123.3-132.5 143.0 158.7 7.6 -6.4 81 81 A S E + C 0 40A 79 -2,-0.4 2,-0.5 -41,-0.2 -41,-0.2 -0.652 47.0 152.2 -85.5 87.8 159.4 7.0 -10.1 82 82 A Q + 0 0 85 -2,-1.4 2,-1.1 -43,-0.6 3,-0.2 -0.688 11.6 170.4-119.0 76.0 162.7 5.1 -10.1 83 83 A D - 0 0 86 -2,-0.5 -43,-0.1 1,-0.2 -2,-0.1 -0.742 68.8 -24.1 -92.2 96.2 162.7 3.0 -13.2 84 84 A R - 0 0 190 -2,-1.1 2,-1.2 1,-0.2 -1,-0.2 0.872 65.3-136.0 67.9 107.1 166.2 1.5 -13.5 85 85 A N - 0 0 88 -3,-0.2 3,-0.2 1,-0.2 -1,-0.2 -0.705 61.5 -59.0 -95.5 84.8 169.0 3.5 -11.7 86 86 A L S S- 0 0 130 -2,-1.2 2,-1.1 1,-0.1 -1,-0.2 0.185 75.2 -66.7 64.3 170.5 171.8 3.6 -14.3 87 87 A E S S+ 0 0 137 -3,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.729 97.4 80.2 -97.5 86.9 173.5 0.5 -15.7 88 88 A H S S- 0 0 165 -2,-1.1 2,-0.5 -3,-0.2 -3,-0.1 -0.950 75.0 -95.9-167.5-178.3 175.4 -1.1 -12.7 89 89 A H - 0 0 142 -2,-0.3 2,-0.7 2,-0.1 -2,-0.1 -0.971 23.6-167.0-122.1 123.9 175.0 -3.2 -9.6 90 90 A H + 0 0 146 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.877 23.2 154.7-112.7 100.5 174.5 -1.8 -6.1 91 91 A H + 0 0 150 -2,-0.7 2,-0.4 2,-0.0 -2,-0.1 -0.991 15.6 179.5-129.6 132.0 175.0 -4.4 -3.4 92 92 A H 0 0 200 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.938 360.0 360.0-135.8 112.0 176.1 -3.8 0.3 93 93 A H 0 0 262 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.961 360.0 360.0-158.6 360.0 176.5 -6.7 2.8