==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-OCT-09 3K74 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR D.OYEN,V.SRINIVASAN,J.STEYAERT,J.BARLOW . 274 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 24.1 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 1 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 PARALLEL BRIDGES PER LADDER . 0 2 2 1 0 4 1 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 . 2 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 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 M 0 0 84 0, 0.0 90,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 157.7 37.1 34.5 40.5 2 2 A I E -a 91 0A 17 104,-0.5 106,-2.9 88,-0.2 107,-1.1 -0.937 360.0-176.7-111.4 133.4 36.4 32.5 37.3 3 3 A S E -ab 92 109A 0 88,-3.1 90,-2.9 -2,-0.5 2,-0.4 -0.963 14.8-147.1-125.8 147.5 32.8 32.0 36.3 4 4 A L E -ab 93 110A 0 105,-1.9 107,-3.0 -2,-0.3 2,-0.4 -0.884 9.7-166.2-106.6 147.6 31.3 30.1 33.4 5 5 A I E + b 0 111A 5 88,-2.4 2,-0.3 -2,-0.4 107,-0.2 -0.997 20.7 153.8-133.1 130.2 28.1 31.2 31.6 6 6 A A E - b 0 112A 7 105,-2.2 107,-1.9 -2,-0.4 2,-0.5 -0.981 40.7-128.9-152.3 158.8 26.2 28.8 29.3 7 7 A A E - b 0 113A 25 -2,-0.3 2,-0.5 105,-0.2 8,-0.3 -0.972 28.5-162.6-112.9 123.8 22.8 28.0 27.8 8 8 A L E - b 0 114A 2 105,-3.4 107,-3.3 -2,-0.5 6,-0.2 -0.930 0.9-160.0-114.5 127.5 21.9 24.3 28.2 9 9 A A > - 0 0 6 4,-2.9 3,-1.9 -2,-0.5 4,-0.2 -0.205 52.1 -49.0 -88.9-173.9 19.1 22.7 26.2 10 10 A V G > S+ 0 0 41 107,-2.1 3,-1.4 1,-0.3 109,-0.3 -0.250 135.3 21.0 -56.8 149.3 17.4 19.5 27.2 11 11 A D G 3 S- 0 0 140 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.635 130.0 -80.1 57.1 20.1 19.9 16.8 28.1 12 12 A R G < S+ 0 0 96 -3,-1.9 113,-2.6 1,-0.2 -1,-0.2 0.745 77.4 166.7 62.4 25.9 22.5 19.6 28.7 13 13 A V E < -H 124 0B 31 -3,-1.4 -4,-2.9 111,-0.2 2,-0.3 -0.518 11.4-174.6 -68.6 139.4 23.2 20.1 25.0 14 14 A I E +H 123 0B 11 109,-2.1 108,-1.5 -6,-0.2 109,-1.4 -0.888 16.2 135.8-129.6 162.5 25.2 23.2 24.2 15 15 A G - 0 0 24 -8,-0.3 2,-0.4 -2,-0.3 -8,-0.2 -0.934 57.1 -38.4-178.7-160.0 26.2 24.7 20.9 16 16 A M > - 0 0 26 -2,-0.3 3,-2.1 1,-0.1 4,-0.5 -0.665 44.2-135.1 -91.5 131.4 26.3 28.0 19.0 17 17 A E G > S+ 0 0 101 -2,-0.4 3,-1.6 1,-0.3 5,-0.3 0.883 105.1 56.3 -55.3 -39.4 23.4 30.4 19.5 18 18 A N G 3 S+ 0 0 33 1,-0.3 202,-0.3 3,-0.1 -1,-0.3 0.673 105.5 51.9 -68.1 -13.5 23.2 31.1 15.7 19 19 A A G < S+ 0 0 49 -3,-2.1 -1,-0.3 200,-0.1 -2,-0.2 0.442 92.7 95.7 -96.0 -4.1 22.7 27.4 15.0 20 20 A M S < S- 0 0 4 -3,-1.6 2,-1.9 -4,-0.5 101,-0.0 -0.767 74.3-134.1 -97.1 137.2 19.9 27.0 17.5 21 21 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.234 76.0 97.2 -81.7 50.8 16.2 27.1 16.5 22 22 A W - 0 0 10 -2,-1.9 2,-0.5 -5,-0.3 -2,-0.1 -0.965 57.5-156.2-132.9 156.8 15.4 29.4 19.4 23 23 A N + 0 0 27 -2,-0.3 125,-2.3 194,-0.0 126,-0.3 -0.961 24.2 164.3-130.9 107.4 14.9 33.1 19.7 24 24 A L >> + 0 0 11 -2,-0.5 4,-1.9 123,-0.2 3,-0.6 -0.649 13.8 166.7-131.8 73.8 15.5 34.2 23.3 25 25 A P H 3> S+ 0 0 45 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.810 82.2 61.9 -57.9 -26.8 16.1 37.9 23.7 26 26 A A H 3> S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.894 104.8 46.5 -64.8 -39.8 15.6 37.4 27.5 27 27 A D H <> S+ 0 0 22 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.860 109.4 54.0 -68.5 -36.7 18.6 35.1 27.5 28 28 A L H X S+ 0 0 114 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.908 109.4 49.6 -61.2 -41.9 20.6 37.7 25.5 29 29 A A H X S+ 0 0 42 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.918 110.3 49.0 -62.0 -42.6 19.7 40.2 28.1 30 30 A W H X S+ 0 0 13 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.906 112.3 49.3 -61.4 -43.2 20.8 37.9 30.9 31 31 A F H X S+ 0 0 40 -4,-2.3 4,-1.1 2,-0.2 5,-0.2 0.936 113.2 46.3 -64.6 -46.5 24.1 37.2 29.1 32 32 A K H >X S+ 0 0 114 -4,-2.8 4,-2.8 1,-0.2 3,-1.0 0.973 112.0 50.2 -62.7 -50.1 24.7 40.9 28.6 33 33 A R H 3< S+ 0 0 167 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.879 115.6 43.4 -55.4 -39.7 23.9 41.9 32.2 34 34 A N H 3< S+ 0 0 20 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.569 122.3 36.2 -84.0 -12.1 26.3 39.2 33.6 35 35 A T H X< S+ 0 0 0 -4,-1.1 3,-1.9 -3,-1.0 -2,-0.2 0.629 82.4 113.9-114.4 -19.6 29.2 39.8 31.2 36 36 A L T 3< S+ 0 0 64 -4,-2.8 21,-0.2 1,-0.3 20,-0.1 -0.248 86.9 14.2 -57.7 146.3 29.2 43.6 30.6 37 37 A N T 3 S+ 0 0 155 19,-2.2 -1,-0.3 1,-0.2 20,-0.2 0.576 112.0 99.9 65.7 14.3 32.4 45.3 32.1 38 38 A K S < S- 0 0 41 -3,-1.9 20,-0.6 18,-0.3 -1,-0.2 -0.899 80.5-106.0-125.2 153.8 34.1 41.9 32.4 39 39 A P E -c 58 0A 7 0, 0.0 53,-2.5 0, 0.0 2,-0.4 -0.568 33.8-153.4 -75.1 145.6 36.6 40.1 30.3 40 40 A V E -cd 59 92A 0 18,-3.0 20,-2.6 -2,-0.2 2,-0.5 -0.983 3.6-158.3-121.3 136.0 35.1 37.1 28.3 41 41 A I E +cd 60 93A 0 51,-2.3 53,-2.7 -2,-0.4 54,-0.5 -0.940 20.7 164.6-114.0 129.7 37.1 34.1 27.2 42 42 A M E -c 61 0A 0 18,-2.3 20,-3.0 -2,-0.5 54,-0.2 -0.937 32.8-113.6-141.6 158.1 35.9 32.0 24.3 43 43 A G E > -c 62 0A 9 52,-2.0 4,-1.9 -2,-0.3 20,-0.2 -0.345 41.9 -94.9 -84.4 176.3 37.3 29.3 22.0 44 44 A R H > S+ 0 0 72 18,-0.7 4,-2.6 1,-0.2 5,-0.2 0.846 120.5 54.5 -64.7 -39.9 37.9 29.8 18.2 45 45 A H H > S+ 0 0 128 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 109.4 48.7 -61.7 -38.0 34.5 28.2 17.1 46 46 A T H > S+ 0 0 10 2,-0.2 4,-2.2 -3,-0.2 5,-0.2 0.916 111.9 49.2 -66.1 -45.0 32.5 30.6 19.3 47 47 A W H X S+ 0 0 12 -4,-1.9 4,-3.3 1,-0.2 5,-0.3 0.953 111.7 48.8 -57.2 -49.7 34.6 33.6 18.0 48 48 A E H < S+ 0 0 108 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.797 111.6 50.5 -63.3 -30.3 33.9 32.5 14.4 49 49 A S H < S+ 0 0 41 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.828 114.2 42.5 -76.4 -34.3 30.2 32.1 15.1 50 50 A I H < S- 0 0 63 -4,-2.2 -2,-0.2 -3,-0.1 -3,-0.2 0.885 90.4-161.1 -78.6 -41.6 29.9 35.5 16.7 51 51 A G < + 0 0 52 -4,-3.3 -3,-0.1 -5,-0.2 -4,-0.1 0.356 63.2 41.9 86.5 -4.0 32.1 37.0 13.9 52 52 A R S S- 0 0 171 -5,-0.3 2,-0.1 19,-0.0 -2,-0.0 -0.956 99.0 -75.8-166.0 160.1 33.0 40.2 15.8 53 53 A P - 0 0 27 0, 0.0 5,-0.1 0, 0.0 19,-0.1 -0.450 46.8-112.9 -70.7 147.9 33.9 41.2 19.3 54 54 A L > - 0 0 21 -2,-0.1 3,-1.0 -14,-0.1 -14,-0.1 -0.705 42.7-122.6 -74.2 122.8 31.2 41.4 21.9 55 55 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.333 89.2 28.7 -70.0 158.4 31.0 45.1 22.6 56 56 A G T 3 S+ 0 0 48 1,-0.2 -19,-2.2 -20,-0.1 2,-0.3 0.514 109.4 85.8 72.5 7.8 31.4 46.4 26.2 57 57 A R S < S- 0 0 34 -3,-1.0 2,-0.7 -21,-0.2 -1,-0.2 -0.986 82.9-115.0-135.6 151.6 33.7 43.5 27.0 58 58 A K E -c 39 0A 102 -20,-0.6 -18,-3.0 -2,-0.3 2,-0.5 -0.737 38.6-147.0 -78.8 115.0 37.4 42.6 26.7 59 59 A N E -c 40 0A 6 -2,-0.7 14,-2.6 12,-0.4 2,-0.4 -0.762 19.1-178.7 -93.5 127.9 37.4 39.6 24.3 60 60 A I E -ce 41 73A 0 -20,-2.6 -18,-2.3 -2,-0.5 2,-0.6 -0.987 10.7-156.7-127.1 128.3 40.0 36.9 24.7 61 61 A I E -ce 42 74A 0 12,-3.0 14,-3.3 -2,-0.4 2,-0.8 -0.930 1.6-157.3-115.2 121.0 40.2 33.9 22.3 62 62 A L E +ce 43 75A 12 -20,-3.0 -18,-0.7 -2,-0.6 2,-0.3 -0.858 35.9 134.2 -98.6 112.0 41.7 30.8 23.4 63 63 A S - 0 0 20 12,-2.4 4,-0.1 -2,-0.8 -2,-0.1 -0.989 59.1-131.7-152.6 160.1 42.9 28.7 20.5 64 64 A S S S+ 0 0 98 -2,-0.3 12,-0.1 1,-0.2 -1,-0.0 0.461 106.2 52.4 -82.1 -8.6 45.9 26.7 19.3 65 65 A Q S S- 0 0 161 -3,-0.0 -1,-0.2 0, 0.0 11,-0.0 -0.825 90.4-147.8-133.0 99.8 45.7 28.5 15.9 66 66 A P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.243 16.0-105.5 -75.5-174.3 45.7 32.2 16.6 67 67 A G - 0 0 25 2,-0.1 2,-0.6 -6,-0.1 7,-0.1 -0.558 8.9-130.4-124.5 167.8 44.0 34.9 14.7 68 68 A T S S+ 0 0 133 -2,-0.2 2,-0.1 2,-0.0 0, 0.0 -0.991 72.2 96.1-107.3 112.4 44.0 37.8 12.4 69 69 A D > - 0 0 43 -2,-0.6 3,-0.8 3,-0.1 -2,-0.1 -0.188 49.4-162.2 162.8 114.5 42.0 40.4 14.3 70 70 A D T 3 S+ 0 0 156 1,-0.2 -2,-0.0 -2,-0.1 4,-0.0 0.407 82.0 76.7 -90.6 2.7 43.3 43.2 16.3 71 71 A R T 3 S+ 0 0 134 2,-0.0 -12,-0.4 0, 0.0 2,-0.3 0.569 99.0 43.2 -86.4 -10.3 40.1 43.9 18.2 72 72 A V S < S- 0 0 12 -3,-0.8 2,-0.5 -14,-0.1 -12,-0.2 -0.817 83.5-111.8-131.7 169.5 40.6 40.9 20.4 73 73 A T E -e 60 0A 55 -14,-2.6 -12,-3.0 -2,-0.3 2,-0.5 -0.909 25.8-151.2-109.7 125.4 43.3 39.2 22.4 74 74 A W E +e 61 0A 49 -2,-0.5 2,-0.3 -14,-0.2 -12,-0.2 -0.821 18.0 179.8 -97.8 129.6 44.6 35.8 21.2 75 75 A V E -e 62 0A 11 -14,-3.3 -12,-2.4 -2,-0.5 3,-0.1 -0.931 25.6-155.4-132.3 157.6 46.0 33.4 23.8 76 76 A K S S+ 0 0 134 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.1 0.477 73.8 32.9-107.0 -9.8 47.4 29.8 23.6 77 77 A S S > S- 0 0 44 1,-0.1 4,-2.5 -14,-0.0 5,-0.2 -0.978 76.8-111.3-148.3 159.4 46.8 28.5 27.1 78 78 A V H > S+ 0 0 26 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.930 120.0 49.6 -53.7 -48.7 44.4 28.7 30.1 79 79 A D H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.862 110.0 50.2 -63.8 -35.3 47.1 30.5 32.1 80 80 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 109.6 51.5 -66.3 -41.6 47.7 33.0 29.3 81 81 A A H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.913 111.2 47.8 -59.5 -43.5 43.9 33.6 29.1 82 82 A I H >X S+ 0 0 47 -4,-2.3 3,-1.1 1,-0.2 4,-0.7 0.956 112.3 48.0 -64.5 -47.4 43.8 34.3 32.8 83 83 A A H >< S+ 0 0 75 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.878 104.8 61.5 -59.8 -38.5 46.8 36.6 32.7 84 84 A A H 3< S+ 0 0 19 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.745 97.2 59.2 -60.5 -26.1 45.2 38.4 29.8 85 85 A C H << S- 0 0 8 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.753 91.7-172.5 -73.9 -26.1 42.3 39.4 32.0 86 86 A G << - 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