==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAY-05 2CU1 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.INOUE,T.NAGASHIMA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 17.5 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 . 1 1.0 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 . 17 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 20.4 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 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 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 G 0 0 135 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.9 6.8 13.8 -19.3 2 2 A S - 0 0 85 2,-0.1 2,-1.9 1,-0.0 4,-0.1 -0.837 360.0-136.1 -97.8 117.8 3.4 13.4 -17.7 3 3 A S S S- 0 0 110 -2,-0.6 2,-0.2 23,-0.1 -1,-0.0 -0.507 76.3 -17.7 -72.8 85.1 0.8 11.6 -19.8 4 4 A G S S- 0 0 56 -2,-1.9 3,-0.1 2,-0.0 -2,-0.1 -0.614 110.3 -15.9 113.6-175.0 -2.1 13.9 -19.2 5 5 A S S S- 0 0 117 -2,-0.2 2,-1.1 1,-0.2 -2,-0.0 -0.214 84.9 -82.8 -62.6 154.4 -3.1 16.6 -16.8 6 6 A S S S+ 0 0 109 1,-0.1 2,-0.2 -4,-0.1 -1,-0.2 -0.426 76.0 139.9 -62.5 96.1 -1.2 16.9 -13.5 7 7 A G + 0 0 45 -2,-1.1 19,-0.8 19,-0.1 2,-0.1 -0.709 20.0 168.6-146.8 91.9 -3.0 14.2 -11.5 8 8 A D E -A 25 0A 64 -2,-0.2 2,-0.6 17,-0.2 15,-0.1 -0.357 35.7-112.3 -94.6 177.3 -1.0 12.0 -9.2 9 9 A V E -A 24 0A 2 15,-1.0 15,-1.0 -2,-0.1 2,-0.6 -0.908 22.1-142.9-118.0 104.9 -2.2 9.6 -6.5 10 10 A R E -A 23 0A 144 -2,-0.6 70,-1.4 13,-0.2 2,-0.6 -0.519 19.5-169.3 -68.1 112.6 -1.3 10.5 -2.9 11 11 A V E -Ab 22 80A 0 11,-1.7 11,-1.4 -2,-0.6 2,-0.5 -0.906 6.6-155.7-110.7 109.8 -0.5 7.3 -1.1 12 12 A K E -Ab 21 81A 66 -2,-0.6 70,-2.4 68,-0.6 9,-0.2 -0.715 11.0-155.1 -86.6 126.4 -0.1 7.6 2.7 13 13 A F E -A 20 0A 0 7,-2.3 7,-1.0 -2,-0.5 2,-0.3 -0.628 6.0-162.1 -99.2 158.8 2.0 4.9 4.3 14 14 A E E +A 19 0A 40 5,-0.2 70,-1.8 -2,-0.2 2,-0.4 -0.945 14.2 166.6-146.0 120.5 1.9 3.6 7.9 15 15 A H E > S-A 18 0A 17 3,-2.5 3,-2.9 -2,-0.3 70,-0.1 -0.917 75.1 -36.7-138.8 110.1 4.5 1.7 9.8 16 16 A R T 3 S- 0 0 212 -2,-0.4 3,-0.1 68,-0.4 -1,-0.0 0.902 127.4 -40.7 42.4 53.4 4.4 1.2 13.6 17 17 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 -0.043 118.3 118.4 89.3 -33.5 3.1 4.8 14.0 18 18 A E E < -A 15 0A 117 -3,-2.9 -3,-2.5 -4,-0.1 2,-0.3 -0.237 48.4-156.9 -65.0 155.4 5.4 6.1 11.3 19 19 A K E -A 14 0A 134 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.982 13.7-176.7-137.7 148.5 4.0 7.6 8.2 20 20 A R E -A 13 0A 131 -7,-1.0 -7,-2.3 -2,-0.3 2,-0.3 -0.906 11.7-153.8-149.9 116.7 5.2 8.2 4.6 21 21 A I E -A 12 0A 71 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.700 17.5-178.7 -92.4 141.4 3.5 10.0 1.8 22 22 A L E -A 11 0A 15 -11,-1.4 -11,-1.7 -2,-0.3 2,-0.4 -0.841 19.9-137.1-132.7 169.7 4.2 9.2 -1.8 23 23 A Q E +A 10 0A 120 -2,-0.3 -13,-0.2 -13,-0.2 -2,-0.0 -0.966 18.4 176.6-135.8 118.5 3.1 10.3 -5.3 24 24 A F E -A 9 0A 7 -15,-1.0 -15,-1.0 -2,-0.4 2,-0.6 -0.942 24.8-138.1-126.5 111.4 2.3 8.0 -8.2 25 25 A P E -A 8 0A 74 0, 0.0 -17,-0.2 0, 0.0 -22,-0.1 -0.533 50.0 -75.2 -69.8 112.7 1.1 9.5 -11.5 26 26 A R S S+ 0 0 84 -19,-0.8 -23,-0.1 -2,-0.6 -19,-0.1 -0.070 115.7 65.4 -49.4 149.0 -1.7 7.2 -12.8 27 27 A P S S- 0 0 91 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.356 88.5-151.0 -69.8 133.5 -1.9 4.7 -14.1 28 28 A V - 0 0 13 -4,-0.1 2,-0.5 -2,-0.1 -2,-0.1 -0.493 3.0-145.3 -75.6 142.1 -0.5 3.6 -10.7 29 29 A K > - 0 0 90 -2,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.930 10.6-144.1-113.3 130.5 1.6 0.5 -10.6 30 30 A L H > S+ 0 0 17 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.908 105.1 52.0 -54.5 -45.5 1.6 -2.0 -7.7 31 31 A E H > S+ 0 0 132 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.873 106.7 54.8 -59.8 -38.5 5.3 -2.6 -8.1 32 32 A D H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.941 105.5 51.1 -61.0 -49.6 5.9 1.1 -8.0 33 33 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.925 116.3 41.1 -54.1 -48.7 4.1 1.6 -4.7 34 34 A R H X S+ 0 0 74 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.965 110.8 56.2 -64.9 -54.5 6.1 -1.2 -3.1 35 35 A S H X S+ 0 0 60 -4,-3.2 4,-1.8 2,-0.2 3,-0.3 0.920 112.3 42.2 -42.2 -60.1 9.5 -0.2 -4.7 36 36 A K H >X S+ 0 0 105 -4,-2.4 4,-3.0 1,-0.2 3,-1.4 0.973 112.0 51.9 -52.8 -64.2 9.3 3.3 -3.2 37 37 A A H 3X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 5,-0.4 0.801 110.9 52.1 -43.5 -32.9 8.0 2.3 0.2 38 38 A K H 3X S+ 0 0 101 -4,-2.5 4,-1.9 -3,-0.3 5,-0.3 0.851 112.1 43.7 -74.3 -35.7 11.0 -0.1 0.2 39 39 A I H << S+ 0 0 121 -4,-1.8 -2,-0.2 -3,-1.4 -1,-0.2 0.865 111.6 53.6 -76.7 -38.1 13.4 2.7 -0.7 40 40 A A H < S+ 0 0 38 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.937 127.4 20.8 -61.8 -48.8 11.9 5.1 1.8 41 41 A F H < S- 0 0 56 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.832 98.6-133.1 -88.7 -38.1 12.3 2.7 4.7 42 42 A G S < S+ 0 0 55 -4,-1.9 2,-0.3 -5,-0.4 -3,-0.2 0.690 70.8 94.2 91.1 21.0 14.9 0.5 3.2 43 43 A Q S S- 0 0 116 -6,-0.4 2,-0.6 -5,-0.3 -1,-0.3 -0.988 82.3-100.0-144.5 151.7 13.2 -2.8 4.1 44 44 A S + 0 0 27 -2,-0.3 43,-1.5 44,-0.3 44,-0.9 -0.604 52.6 161.6 -75.2 115.3 10.8 -5.2 2.5 45 45 A M E -C 86 0B 9 -2,-0.6 41,-0.2 41,-0.2 2,-0.1 -0.988 35.0-118.7-137.7 146.0 7.3 -4.6 3.7 46 46 A D E -C 85 0B 37 39,-2.6 39,-1.3 -2,-0.3 2,-0.6 -0.324 23.9-123.9 -78.1 163.4 3.8 -5.5 2.4 47 47 A L E +C 84 0B 0 11,-0.5 11,-2.0 37,-0.2 2,-0.6 -0.907 28.9 177.8-115.2 105.8 1.2 -2.9 1.4 48 48 A H E -CD 83 57B 45 35,-1.7 35,-1.3 -2,-0.6 2,-0.4 -0.914 5.4-174.1-111.6 110.7 -2.1 -3.2 3.2 49 49 A Y E -CD 82 56B 12 7,-1.8 7,-2.5 -2,-0.6 2,-0.6 -0.871 15.7-141.8-106.9 135.2 -4.8 -0.6 2.3 50 50 A T - 0 0 26 31,-0.8 31,-0.3 -2,-0.4 5,-0.2 -0.840 9.0-167.5 -98.8 123.1 -8.1 -0.3 4.1 51 51 A N S S- 0 0 69 -2,-0.6 -1,-0.2 3,-0.3 30,-0.1 0.984 75.0 -39.6 -69.6 -60.4 -11.1 0.6 2.0 52 52 A N S S- 0 0 120 2,-0.2 -2,-0.1 25,-0.0 3,-0.0 0.526 122.3 -21.4-132.1 -67.0 -13.6 1.4 4.8 53 53 A E S S+ 0 0 168 2,-0.0 2,-0.1 0, 0.0 -3,-0.0 0.546 119.7 69.7-125.2 -24.0 -13.4 -0.9 7.8 54 54 A L S S- 0 0 124 -5,-0.0 2,-0.4 2,-0.0 -3,-0.3 -0.325 77.1-119.5 -91.1 176.7 -11.7 -4.0 6.4 55 55 A V - 0 0 80 -5,-0.2 -5,-0.2 -2,-0.1 -7,-0.0 -0.979 17.0-165.1-124.9 127.6 -8.1 -4.5 5.2 56 56 A I E -D 49 0B 43 -7,-2.5 -7,-1.8 -2,-0.4 2,-0.9 -0.906 16.0-142.9-115.6 106.6 -7.1 -5.5 1.7 57 57 A P E -D 48 0B 51 0, 0.0 2,-1.0 0, 0.0 3,-0.3 -0.531 19.4-133.0 -69.7 102.1 -3.5 -6.7 1.3 58 58 A L + 0 0 0 -11,-2.0 -11,-0.5 -2,-0.9 3,-0.1 -0.389 54.4 139.7 -59.6 96.5 -2.4 -5.3 -2.1 59 59 A T + 0 0 89 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.746 61.8 32.7-108.5 -39.8 -0.8 -8.4 -3.5 60 60 A T S >> S- 0 0 73 -3,-0.3 3,-1.5 1,-0.1 4,-1.3 -0.833 84.2-109.1-120.1 158.5 -1.9 -8.3 -7.2 61 61 A Q H 3> S+ 0 0 85 -2,-0.3 4,-2.8 1,-0.3 5,-0.5 0.907 114.2 68.5 -48.6 -48.6 -2.6 -5.5 -9.6 62 62 A D H 3> S+ 0 0 107 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.843 101.2 48.8 -39.4 -43.0 -6.4 -6.2 -9.4 63 63 A D H <> S+ 0 0 33 -3,-1.5 4,-1.6 2,-0.2 -1,-0.3 0.947 114.5 43.2 -65.2 -50.3 -6.2 -5.0 -5.8 64 64 A L H >X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 3,-0.8 0.970 113.0 50.5 -60.1 -56.9 -4.3 -1.8 -6.7 65 65 A D H 3X S+ 0 0 93 -4,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.850 114.1 47.0 -50.1 -37.4 -6.4 -1.0 -9.8 66 66 A K H 3X S+ 0 0 119 -4,-1.6 4,-1.4 -5,-0.5 -1,-0.3 0.776 112.9 49.1 -76.2 -27.5 -9.5 -1.5 -7.6 67 67 A A H