==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-APR-06 2GQV . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE TYPE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.NARAYANA . 59 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 54.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 37.3 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 1.7 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 . 3 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.8 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+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 0 0 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 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 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 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 20 A S 0 0 164 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.5 41.2 28.8 51.5 2 21 A N + 0 0 162 2,-0.0 2,-0.0 0, 0.0 0, 0.0 0.106 360.0 155.0 -82.4 23.2 44.1 27.1 49.9 3 22 A A - 0 0 52 1,-0.1 31,-0.0 2,-0.0 3,-0.0 -0.249 41.3-149.1 -61.3 140.3 43.5 29.7 47.1 4 23 A T S S+ 0 0 79 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.862 79.6 30.1 -71.8 -42.6 46.6 30.4 44.9 5 24 A F - 0 0 19 4,-0.0 2,-0.3 51,-0.0 -1,-0.1 -0.883 69.6-150.7-117.8 159.3 45.6 34.0 44.1 6 25 A G > - 0 0 35 -2,-0.3 3,-2.3 1,-0.1 17,-0.3 -0.814 42.0 -70.3-118.6 165.2 43.6 36.7 45.9 7 26 A M T 3 S+ 0 0 138 -2,-0.3 17,-0.2 1,-0.3 3,-0.1 -0.263 119.9 21.4 -54.7 133.9 41.4 39.6 44.7 8 27 A G T 3 S+ 0 0 36 15,-2.7 -1,-0.3 1,-0.3 16,-0.1 0.255 84.3 140.8 90.5 -15.1 43.5 42.3 43.2 9 28 A D < - 0 0 46 -3,-2.3 14,-2.3 13,-0.1 2,-0.5 -0.408 54.2-124.8 -58.3 141.8 46.6 40.2 42.3 10 29 A R E +A 22 0A 92 48,-0.4 48,-2.6 12,-0.2 2,-0.3 -0.776 42.9 168.1 -87.6 123.5 48.1 41.1 39.0 11 30 A V E -AB 21 57A 0 10,-2.9 10,-2.3 -2,-0.5 2,-0.3 -0.897 20.0-162.4-134.5 161.4 48.3 38.0 36.8 12 31 A R E -AB 20 56A 109 44,-2.3 44,-2.3 -2,-0.3 2,-0.3 -0.981 34.5 -95.7-137.8 157.1 49.0 37.0 33.2 13 32 A K E - B 0 55A 36 6,-2.3 42,-0.2 -2,-0.3 6,-0.2 -0.553 29.9-144.6 -64.3 134.7 48.4 34.0 31.1 14 33 A K S S- 0 0 111 40,-2.5 2,-0.3 -2,-0.3 -1,-0.1 0.829 72.1 -4.6 -67.2 -37.0 51.6 31.8 31.0 15 34 A S S S+ 0 0 90 39,-0.4 -1,-0.1 2,-0.2 2,-0.1 -0.943 106.5 19.0-154.8 169.4 51.3 30.7 27.4 16 35 A G S S+ 0 0 74 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.344 109.1 27.4 62.7-139.7 49.1 30.8 24.3 17 36 A A S S- 0 0 73 1,-0.1 -2,-0.2 -2,-0.1 2,-0.2 -0.254 89.7-123.8 -56.2 134.8 46.5 33.5 24.1 18 37 A A + 0 0 90 -4,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.477 37.5 160.0 -84.9 152.0 47.6 36.5 26.1 19 38 A W + 0 0 33 -6,-0.2 -6,-2.3 -2,-0.2 2,-0.3 -0.922 7.5 176.2-162.1 145.3 45.7 38.1 29.0 20 39 A Q E +A 12 0A 61 -2,-0.3 21,-2.4 -8,-0.2 22,-0.5 -0.966 28.5 78.6-156.0 135.0 46.9 40.4 31.8 21 40 A G E -AC 11 40A 0 -10,-2.3 -10,-2.9 -2,-0.3 2,-0.3 -0.982 69.6 -29.0 161.8-157.3 45.2 42.2 34.6 22 41 A Q E -AC 10 39A 113 17,-1.2 17,-2.5 -2,-0.3 2,-0.3 -0.670 52.2-111.1 -95.3 142.2 43.7 41.9 38.1 23 42 A I E + C 0 38A 3 -14,-2.3 -15,-2.7 -17,-0.3 15,-0.2 -0.533 40.2 166.6 -63.8 126.3 41.9 39.0 39.7 24 43 A V E - 0 0 52 13,-2.7 2,-0.3 -2,-0.3 14,-0.2 0.314 57.1 -14.6-126.0 2.5 38.3 40.0 40.1 25 44 A G E - C 0 37A 20 12,-1.1 12,-1.7 -19,-0.1 2,-0.3 -0.988 55.5-124.5 176.6-172.1 36.6 36.7 40.9 26 45 A W E - C 0 36A 162 10,-0.3 2,-0.3 -2,-0.3 10,-0.3 -0.970 12.3-170.8-151.7 158.2 36.7 32.9 41.1 27 46 A Y E - C 0 35A 52 8,-2.1 8,-2.5 -2,-0.3 2,-0.3 -0.981 6.7-156.6-154.9 160.7 34.9 29.8 40.0 28 47 A C + 0 0 74 -2,-0.3 2,-0.3 6,-0.2 6,-0.1 -0.946 20.6 153.7-145.5 121.6 34.9 26.0 40.6 29 48 A T - 0 0 68 3,-2.3 -2,-0.0 -2,-0.3 5,-0.0 -0.856 56.3-100.5-132.9 172.2 33.8 23.2 38.4 30 49 A N S S+ 0 0 171 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.893 126.4 43.8 -60.4 -37.4 34.8 19.5 38.2 31 50 A L S S+ 0 0 159 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.835 129.4 27.4 -75.0 -30.8 36.9 20.3 35.1 32 51 A T + 0 0 15 1,-0.1 -3,-2.3 19,-0.0 -1,-0.3 -0.762 66.9 173.2-132.2 78.3 38.3 23.4 36.7 33 52 A P S S+ 0 0 89 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.714 79.7 33.2 -69.0 -14.7 38.3 23.0 40.5 34 53 A E S S+ 0 0 50 -3,-0.1 18,-2.6 -6,-0.1 2,-0.3 -0.891 80.1 157.0-141.2 102.5 40.2 26.3 40.9 35 54 A G E -CD 27 51A 0 -8,-2.5 -8,-2.1 -2,-0.4 2,-0.3 -0.898 21.8-152.3-128.2 157.3 39.5 29.0 38.4 36 55 A Y E -CD 26 50A 4 14,-2.7 14,-2.4 -2,-0.3 2,-0.4 -0.956 12.6-137.0-132.2 147.5 39.8 32.8 38.3 37 56 A A E -CD 25 49A 12 -12,-1.7 -13,-2.7 -2,-0.3 -12,-1.1 -0.893 25.2-166.1 -97.2 134.1 38.2 35.7 36.6 38 57 A V E -CD 23 48A 0 10,-2.8 10,-2.0 -2,-0.4 2,-0.5 -0.986 12.6-147.3-128.9 121.1 40.7 38.3 35.4 39 58 A E E -CD 22 47A 69 -17,-2.5 -17,-1.2 -2,-0.4 8,-0.2 -0.779 31.4-115.5 -85.0 125.1 39.8 41.9 34.3 40 59 A S E -C 21 0A 10 6,-2.7 -19,-0.3 -2,-0.5 5,-0.2 -0.363 12.3-151.7 -60.1 138.8 42.1 43.1 31.5 41 60 A E S S+ 0 0 88 -21,-2.4 -1,-0.2 1,-0.2 -20,-0.1 0.624 99.4 47.0 -80.2 -19.3 44.3 46.0 32.4 42 61 A A S S+ 0 0 72 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.729 118.4 37.8 -86.9 -32.5 44.4 47.0 28.7 43 62 A H S > S- 0 0 117 3,-0.2 3,-2.2 0, 0.0 -3,-0.4 -0.770 86.5-145.1-126.0 80.2 40.6 46.7 28.1 44 63 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.147 82.1 19.9 -52.8 136.6 38.7 47.9 31.2 45 64 A G T 3 S+ 0 0 55 1,-0.3 2,-0.5 -5,-0.2 -4,-0.1 0.146 92.8 115.8 89.6 -17.9 35.5 46.0 31.8 46 65 A S < - 0 0 61 -3,-2.2 -6,-2.7 -6,-0.2 2,-0.4 -0.754 44.4-175.1 -88.3 125.8 36.5 42.9 29.8 47 66 A V E -D 39 0A 73 -2,-0.5 2,-0.3 -8,-0.2 -8,-0.2 -0.953 8.5-174.2-123.3 135.3 36.8 39.8 32.0 48 67 A Q E -D 38 0A 90 -10,-2.0 -10,-2.8 -2,-0.4 2,-0.4 -0.952 16.4-135.7-128.8 154.3 37.9 36.3 31.0 49 68 A I E +D 37 0A 102 -2,-0.3 -12,-0.2 -12,-0.2 -23,-0.0 -0.881 26.3 167.7-112.3 138.5 38.0 33.2 33.1 50 69 A Y E -D 36 0A 27 -14,-2.4 -14,-2.7 -2,-0.4 -23,-0.1 -0.997 38.0 -99.8-145.9 151.9 40.8 30.6 33.3 51 70 A P E > -D 35 0A 54 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.368 41.2-112.4 -64.9 151.5 42.0 27.6 35.3 52 71 A V G > S+ 0 0 32 -18,-2.6 3,-1.9 1,-0.3 -17,-0.1 0.854 114.3 63.9 -53.9 -39.3 44.7 28.4 37.9 53 72 A A G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -19,-0.3 -39,-0.1 0.703 98.1 57.0 -63.9 -19.3 47.3 26.4 36.0 54 73 A A G < S+ 0 0 29 -3,-1.9 -40,-2.5 -41,-0.1 -39,-0.4 0.547 101.9 67.3 -83.8 -7.4 47.1 28.8 33.1 55 74 A L E < -B 13 0A 4 -3,-1.9 2,-0.3 -4,-0.3 -42,-0.2 -0.827 54.5-171.1-119.8 152.2 47.9 31.9 35.1 56 75 A E E -B 12 0A 65 -44,-2.3 -44,-2.3 -2,-0.3 2,-0.3 -0.996 27.3-115.9-140.5 143.5 50.9 33.3 37.0 57 76 A R E -B 11 0A 156 -2,-0.3 -46,-0.3 -46,-0.2 2,-0.3 -0.597 31.8-176.5 -78.0 143.6 51.2 36.3 39.3 58 77 A I 0 0 35 -48,-2.6 -48,-0.4 -2,-0.3 0, 0.0 -0.833 360.0 360.0-130.0 165.0 53.4 39.3 38.3 59 78 A N 0 0 187 -2,-0.3 -48,-0.1 -50,-0.1 -1,-0.1 0.749 360.0 360.0 -79.3 360.0 54.3 42.5 40.2