==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-MAY-05 1ZPT . COMPND 2 MOLECULE: 5,10-METHYLENETETRAHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.PEJCHAL,R.SARGEANT,M.L.LUDWIG . 821 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 1 0.1 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 . 52 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 0 0 0 3 0 4 1 5 2 7 1 5 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 7 8 5 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 6 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 5 A H > 0 0 57 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -49.2 45.2 -6.1 0.8 2 6 A A H > + 0 0 7 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.932 360.0 45.8 -69.6 -48.2 43.5 -4.4 3.7 3 7 A S H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 110.6 54.0 -62.0 -42.8 44.0 -0.8 2.4 4 8 A Q H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 108.0 50.5 -58.8 -40.9 42.8 -1.9 -1.1 5 9 A R H X S+ 0 0 17 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.881 110.0 49.9 -65.1 -38.5 39.6 -3.2 0.5 6 10 A D H X S+ 0 0 18 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.879 111.9 48.6 -66.9 -37.4 39.2 0.0 2.4 7 11 A A H X S+ 0 0 14 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.893 111.3 49.4 -68.8 -40.9 39.7 1.9 -0.9 8 12 A L H X S+ 0 0 32 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.922 112.0 47.9 -64.7 -45.1 37.2 -0.3 -2.8 9 13 A N H X S+ 0 0 7 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.881 113.1 47.9 -65.1 -38.7 34.5 0.1 -0.1 10 14 A Q H X S+ 0 0 28 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.934 110.3 50.2 -68.6 -45.6 34.9 3.9 0.1 11 15 A S H X S+ 0 0 56 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.877 110.9 51.7 -59.4 -36.0 34.8 4.3 -3.7 12 16 A L H >< S+ 0 0 6 -4,-1.9 3,-0.6 1,-0.2 4,-0.4 0.907 106.2 53.4 -66.6 -41.3 31.6 2.2 -3.6 13 17 A A H >< S+ 0 0 15 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.814 109.4 50.0 -63.1 -30.0 30.1 4.4 -0.9 14 18 A E H 3< S+ 0 0 134 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.685 94.8 68.5 -83.8 -19.2 30.8 7.5 -3.1 15 19 A V T X< S+ 0 0 26 -4,-1.0 3,-1.7 -3,-0.6 4,-0.3 0.585 73.4 134.9 -73.8 -7.8 29.2 6.0 -6.3 16 20 A Q T < + 0 0 43 -3,-0.5 254,-0.2 -4,-0.4 255,-0.1 -0.164 68.9 16.2 -47.7 118.9 25.9 6.4 -4.3 17 21 A G T 3 S+ 0 0 73 252,-0.4 -1,-0.3 2,-0.1 253,-0.1 0.593 109.6 78.1 93.2 13.3 23.2 7.9 -6.6 18 22 A Q < + 0 0 69 -3,-1.7 2,-0.4 251,-0.3 -2,-0.1 0.364 67.0 94.8-131.2 -0.3 24.9 7.4 -10.0 19 23 A I - 0 0 17 -4,-0.3 2,-0.4 250,-0.3 231,-0.2 -0.805 60.3-146.8 -99.7 136.6 24.3 3.7 -10.8 20 24 A N E -a 250 0A 73 229,-2.6 231,-2.0 -2,-0.4 2,-0.3 -0.816 16.7-169.5-101.4 140.8 21.3 2.6 -12.9 21 25 A V E -a 251 0A 4 -2,-0.4 29,-2.2 229,-0.2 30,-0.8 -0.930 10.0-169.4-131.0 154.5 19.6 -0.7 -12.3 22 26 A S E -ab 252 51A 4 229,-1.9 231,-2.7 -2,-0.3 2,-0.4 -0.968 12.4-144.6-138.0 151.3 17.0 -2.8 -14.0 23 27 A F E -ab 253 52A 0 28,-1.0 30,-2.7 -2,-0.3 2,-0.4 -0.976 3.9-151.9-125.4 133.2 15.1 -5.9 -12.8 24 28 A E E +ab 254 53A 35 229,-2.8 231,-1.1 -2,-0.4 232,-0.6 -0.861 19.5 176.8-103.7 133.1 14.0 -8.9 -14.8 25 29 A F E - b 0 54A 3 28,-3.1 30,-2.7 -2,-0.4 229,-0.0 -0.776 18.5-137.7-126.1 171.5 10.9 -10.9 -13.8 26 30 A F - 0 0 61 -2,-0.2 30,-0.1 28,-0.2 11,-0.0 -0.980 34.3 -93.1-133.2 146.4 9.0 -13.9 -15.2 27 31 A P - 0 0 44 0, 0.0 7,-0.1 0, 0.0 6,-0.0 -0.368 49.3-114.6 -58.8 125.8 5.2 -14.5 -15.5 28 32 A P - 0 0 24 0, 0.0 3,-0.1 0, 0.0 229,-0.0 -0.266 20.3-161.7 -62.6 148.3 4.0 -16.4 -12.4 29 33 A R S S+ 0 0 97 1,-0.0 2,-0.3 0, 0.0 3,-0.0 0.463 72.0 38.0-108.3 -7.9 2.6 -19.9 -12.8 30 34 A T S > S- 0 0 84 1,-0.1 4,-1.8 0, 0.0 5,-0.1 -0.925 82.9-111.0-140.3 165.0 0.7 -20.1 -9.5 31 35 A S H > S+ 0 0 88 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.880 119.6 54.0 -61.8 -38.5 -1.4 -17.9 -7.2 32 36 A E H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.947 109.2 45.9 -61.0 -50.2 1.4 -18.0 -4.7 33 37 A M H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.791 108.0 58.5 -64.7 -28.0 4.0 -16.8 -7.3 34 38 A E H X S+ 0 0 83 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.950 108.5 45.3 -64.5 -48.4 1.5 -14.1 -8.4 35 39 A Q H X S+ 0 0 118 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.932 114.9 48.1 -58.8 -49.1 1.5 -12.8 -4.8 36 40 A T H X S+ 0 0 32 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.921 109.5 52.7 -59.0 -49.2 5.2 -13.0 -4.5 37 41 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-0.3 0.947 110.7 44.2 -54.3 -57.0 5.9 -11.3 -7.8 38 42 A W H X S+ 0 0 33 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.787 110.1 56.2 -63.3 -27.5 3.8 -8.2 -7.2 39 43 A N H X S+ 0 0 82 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.886 109.6 47.2 -69.8 -36.4 5.2 -7.8 -3.7 40 44 A S H X S+ 0 0 7 -4,-1.9 4,-4.0 -3,-0.3 5,-0.4 0.908 108.7 54.2 -68.5 -43.4 8.6 -7.8 -5.2 41 45 A I H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.933 110.4 46.1 -55.5 -49.6 7.5 -5.2 -7.8 42 46 A D H X S+ 0 0 58 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.880 117.7 44.9 -60.6 -39.9 6.3 -2.9 -5.1 43 47 A R H >< S+ 0 0 96 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.972 119.1 38.9 -68.8 -56.6 9.5 -3.4 -3.1 44 48 A L H >< S+ 0 0 2 -4,-4.0 3,-1.4 1,-0.2 -2,-0.2 0.742 106.3 67.3 -67.8 -25.0 11.9 -3.1 -6.1 45 49 A S H >< S+ 0 0 29 -4,-2.5 3,-2.9 -5,-0.4 -1,-0.2 0.863 87.0 67.3 -64.7 -35.5 9.9 -0.2 -7.6 46 50 A S T << S+ 0 0 55 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.611 91.6 64.7 -60.8 -10.5 10.8 2.1 -4.7 47 51 A L T < S- 0 0 9 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.428 103.6-134.9 -91.3 -1.3 14.3 1.9 -6.0 48 52 A K < - 0 0 78 -3,-2.9 -27,-0.2 1,-0.1 -3,-0.1 0.926 26.7-157.9 46.7 63.7 13.2 3.7 -9.2 49 53 A P - 0 0 9 0, 0.0 23,-0.3 0, 0.0 -27,-0.2 -0.291 28.0-115.4 -69.2 155.1 15.0 1.4 -11.7 50 54 A K S S- 0 0 104 -29,-2.2 22,-0.3 1,-0.2 2,-0.3 0.880 91.4 -34.6 -55.5 -37.5 15.9 2.6 -15.2 51 55 A F E -b 22 0A 3 -30,-0.8 -28,-1.0 20,-0.1 2,-0.3 -0.956 55.5-134.8-175.7 163.2 13.4 -0.1 -16.3 52 56 A V E -bc 23 73A 3 20,-1.8 22,-3.0 -2,-0.3 2,-0.3 -0.936 19.3-154.5-129.3 152.5 12.1 -3.6 -15.6 53 57 A S E -bc 24 74A 0 -30,-2.7 -28,-3.1 -2,-0.3 2,-0.4 -0.924 8.0-147.4-131.6 156.5 11.5 -6.5 -17.9 54 58 A V E -bc 25 75A 0 20,-0.8 22,-2.3 -2,-0.3 -28,-0.2 -0.985 25.8-122.8-125.1 124.3 9.4 -9.6 -18.1 55 59 A T 0 0 36 -30,-2.7 0, 0.0 -2,-0.4 0, 0.0 -0.099 360.0 360.0 -60.7 160.8 10.5 -12.8 -19.8 56 60 A Y 0 0 150 -30,-0.1 -1,-0.1 19,-0.1 21,-0.1 0.588 360.0 360.0-125.9 360.0 8.6 -14.4 -22.7 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 70 A T > 0 0 40 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -60.8 3.7 -11.3 -20.4 59 71 A H H > + 0 0 64 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.862 360.0 52.2 -57.4 -36.6 2.0 -8.3 -22.1 60 72 A S H > S+ 0 0 83 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.917 107.4 49.8 -66.7 -44.8 -0.5 -8.3 -19.3 61 73 A I H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.916 110.0 52.9 -59.6 -42.7 2.2 -8.2 -16.6 62 74 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.941 110.6 46.2 -57.1 -50.2 3.9 -5.4 -18.5 63 75 A K H X S+ 0 0 33 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.940 111.1 51.9 -58.8 -49.9 0.6 -3.4 -18.5 64 76 A G H X S+ 0 0 25 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.876 111.1 48.3 -55.2 -40.0 -0.0 -4.0 -14.8 65 77 A I H X>S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 5,-1.5 0.914 114.3 45.0 -66.9 -44.6 3.5 -2.8 -14.0 66 78 A K H <5S+ 0 0 36 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.869 117.1 45.8 -66.9 -37.6 3.1 0.3 -16.1 67 79 A D H <5S+ 0 0 140 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.732 122.1 36.7 -77.6 -24.2 -0.4 0.9 -14.7 68 80 A R H <5S+ 0 0 145 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.839 138.0 9.5 -97.4 -39.9 0.7 0.3 -11.1 69 81 A T T <5S- 0 0 44 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.711 83.0-134.3-111.6 -32.2 4.2 1.7 -10.9 70 82 A G < + 0 0 59 -5,-1.5 -4,-0.2 1,-0.3 -3,-0.1 0.523 53.4 147.7 87.0 5.4 4.7 3.6 -14.1 71 83 A L - 0 0 32 -6,-0.6 2,-1.3 1,-0.1 -1,-0.3 -0.333 64.8 -92.6 -71.6 155.9 8.1 2.1 -14.7 72 84 A E - 0 0 74 -22,-0.3 -20,-1.8 -23,-0.3 2,-0.8 -0.575 46.3-161.7 -72.3 96.8 9.4 1.5 -18.2 73 85 A A E -c 52 0A 7 -2,-1.3 28,-0.2 -22,-0.2 -20,-0.2 -0.740 5.4-168.4 -86.0 111.4 8.2 -2.1 -18.5 74 86 A A E -c 53 0A 0 -22,-3.0 -20,-0.8 -2,-0.8 28,-0.2 -0.854 7.9-153.9-104.6 103.2 10.2 -3.7 -21.4 75 87 A P E -c 54 0A 0 0, 0.0 28,-1.7 0, 0.0 2,-0.2 -0.438 18.6-117.2 -74.6 147.8 8.7 -7.1 -22.4 76 88 A H E -e 103 0B 11 -22,-2.3 2,-0.4 26,-0.2 28,-0.2 -0.518 26.3-158.6 -82.2 154.3 11.0 -9.7 -24.0 77 89 A L E -e 104 0B 6 26,-2.5 28,-3.3 -2,-0.2 2,-0.2 -0.980 5.7-167.6-140.1 124.2 10.3 -10.9 -27.6 78 90 A T - 0 0 23 -2,-0.4 28,-0.2 26,-0.2 29,-0.2 -0.563 25.9-135.4-105.5 170.5 11.4 -14.1 -29.2 79 91 A C S > S+ 0 0 10 27,-3.6 3,-0.9 -2,-0.2 28,-0.2 0.555 72.5 107.5 -98.6 -12.9 11.4 -15.3 -32.9 80 92 A I T 3 S+ 0 0 98 26,-1.2 -2,-0.2 1,-0.2 3,-0.1 -0.445 86.3 5.3 -72.7 137.5 10.1 -18.8 -32.0 81 93 A D T 3 S+ 0 0 99 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.810 110.8 100.8 61.7 34.3 6.5 -19.7 -32.9 82 94 A A < - 0 0 28 -3,-0.9 -1,-0.2 4,-0.0 0, 0.0 -0.999 62.1-137.9-149.8 145.3 6.0 -16.4 -34.7 83 95 A T >> - 0 0 67 -2,-0.3 4,-2.7 1,-0.1 3,-0.8 -0.798 32.6-112.7-103.3 145.3 5.9 -15.2 -38.3 84 96 A P H 3> S+ 0 0 51 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.784 119.7 56.7 -43.1 -31.1 7.5 -11.9 -39.4 85 97 A D H 3> S+ 0 0 62 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.949 110.0 40.5 -67.9 -50.3 3.9 -10.7 -40.1 86 98 A E H <> S+ 0 0 103 -3,-0.8 4,-3.3 2,-0.2 5,-0.3 0.861 110.5 60.3 -66.5 -36.8 2.7 -11.4 -36.5 87 99 A L H X S+ 0 0 3 -4,-2.7 4,-3.6 1,-0.2 -1,-0.2 0.955 106.3 45.5 -55.4 -52.4 5.9 -10.0 -35.1 88 100 A R H X S+ 0 0 95 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.845 113.0 53.3 -59.9 -33.9 5.3 -6.6 -36.8 89 101 A T H X S+ 0 0 90 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.956 114.0 39.1 -65.7 -52.5 1.7 -6.9 -35.5 90 102 A I H X S+ 0 0 70 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.918 115.4 54.9 -63.6 -43.6 2.8 -7.5 -31.9 91 103 A A H X S+ 0 0 0 -4,-3.6 4,-2.1 -5,-0.3 -2,-0.2 0.937 113.5 39.8 -54.9 -50.8 5.6 -5.0 -32.3 92 104 A R H X S+ 0 0 147 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.794 110.8 60.6 -70.3 -27.6 3.1 -2.3 -33.4 93 105 A D H < S+ 0 0 37 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.893 108.4 44.1 -65.3 -39.6 0.7 -3.5 -30.8 94 106 A Y H ><>S+ 0 0 6 -4,-2.5 3,-3.2 2,-0.2 5,-2.0 0.980 112.0 49.5 -67.5 -59.3 3.2 -2.7 -28.1 95 107 A W H ><5S+ 0 0 70 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.800 109.3 54.6 -51.0 -32.4 4.3 0.7 -29.4 96 108 A N T 3<5S+ 0 0 125 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.465 107.0 52.3 -83.2 -0.4 0.6 1.6 -29.7 97 109 A N T < 5S- 0 0 100 -3,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.208 127.5 -91.7-116.9 11.7 0.1 0.7 -26.0 98 110 A G T < 5S+ 0 0 58 -3,-0.9 2,-1.0 1,-0.3 -3,-0.2 0.305 83.9 136.5 95.6 -9.1 3.0 2.8 -24.6 99 111 A I < + 0 0 11 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.625 13.7 155.1 -76.3 103.1 5.5 -0.0 -24.8 100 112 A R + 0 0 93 -2,-1.0 25,-1.9 -3,-0.1 2,-0.4 0.746 52.8 66.8-100.5 -30.5 8.6 1.7 -26.1 101 113 A H E + f 0 125B 0 -28,-0.2 2,-0.4 23,-0.2 25,-0.2 -0.811 59.2 176.3 -98.9 132.9 11.3 -0.6 -24.8 102 114 A I E - 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