==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-OCT-07 2RK2 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE TYPE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.M.KRAHN,R.E.LONDON . 58 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 53.4 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 37.9 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 . 2 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.9 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 21 A N 0 0 156 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.6 9.9 -6.7 24.0 2 22 A A - 0 0 68 1,-0.1 31,-0.0 2,-0.0 3,-0.0 -0.340 360.0-148.0 -71.1 134.3 9.6 -4.2 21.0 3 23 A T S S+ 0 0 78 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.896 82.4 27.7 -66.7 -39.3 12.6 -3.5 18.8 4 24 A F - 0 0 16 4,-0.0 2,-0.3 52,-0.0 -1,-0.0 -0.836 68.1-151.8-125.2 161.4 11.5 0.1 18.1 5 25 A G > - 0 0 34 -2,-0.3 3,-2.1 1,-0.1 17,-0.3 -0.820 43.3 -67.8-123.0 165.2 9.5 2.7 19.8 6 26 A M T 3 S+ 0 0 137 -2,-0.3 17,-0.2 1,-0.2 3,-0.1 -0.265 119.5 20.8 -51.7 137.1 7.4 5.6 18.5 7 27 A G T 3 S+ 0 0 40 15,-2.9 -1,-0.2 1,-0.3 16,-0.1 0.274 83.7 141.1 80.9 -7.7 9.4 8.3 16.9 8 28 A D < - 0 0 44 -3,-2.1 14,-2.3 13,-0.1 2,-0.6 -0.396 54.2-125.1 -60.3 141.4 12.5 6.2 16.2 9 29 A R E +A 21 0A 92 48,-0.4 48,-2.9 12,-0.2 2,-0.3 -0.788 43.0 167.5 -91.9 124.5 14.0 7.1 12.8 10 30 A V E -AB 20 56A 0 10,-3.2 10,-2.2 -2,-0.6 2,-0.3 -0.884 20.9-160.0-131.5 161.2 14.2 3.9 10.7 11 31 A R E -AB 19 55A 113 44,-2.7 44,-2.2 -2,-0.3 8,-0.2 -0.991 33.2 -98.0-137.0 157.8 14.9 2.9 7.1 12 32 A K E - B 0 54A 35 6,-2.2 42,-0.2 -2,-0.3 6,-0.2 -0.489 30.5-143.2 -63.2 136.4 14.2 -0.2 5.0 13 33 A K S S- 0 0 110 40,-2.9 2,-0.3 -2,-0.2 -1,-0.1 0.786 70.1 -6.7 -74.8 -32.9 17.4 -2.3 4.8 14 34 A S S S+ 0 0 91 39,-0.4 -1,-0.1 2,-0.2 2,-0.1 -0.961 105.4 25.0-155.7 173.8 17.1 -3.4 1.2 15 35 A G S S+ 0 0 77 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.379 111.2 22.9 64.9-136.4 14.9 -3.5 -2.0 16 36 A A S S- 0 0 76 1,-0.1 -2,-0.2 -2,-0.1 2,-0.2 -0.298 90.4-122.8 -64.2 141.4 12.4 -0.6 -2.2 17 37 A A + 0 0 90 -4,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.489 37.9 161.0 -89.7 155.1 13.6 2.3 -0.0 18 38 A W + 0 0 33 -6,-0.2 -6,-2.2 -2,-0.2 2,-0.3 -0.909 6.2 173.1-162.5 141.0 11.6 4.0 2.8 19 39 A Q E +A 11 0A 59 -2,-0.3 21,-2.3 -8,-0.2 22,-0.6 -0.973 27.8 84.9-156.1 136.0 12.9 6.2 5.7 20 40 A G E -AC 10 39A 0 -10,-2.2 -10,-3.2 -2,-0.3 2,-0.3 -0.983 69.9 -32.3 163.8-155.4 11.1 8.2 8.4 21 41 A Q E -AC 9 38A 104 17,-1.4 17,-2.6 -2,-0.3 2,-0.4 -0.672 51.1-111.1-100.4 144.9 9.6 7.8 11.9 22 42 A I E + C 0 37A 3 -14,-2.3 -15,-2.9 -2,-0.3 15,-0.3 -0.600 41.1 165.7 -62.6 125.4 7.9 4.9 13.6 23 43 A V E - 0 0 49 13,-2.7 2,-0.3 -2,-0.4 14,-0.2 0.233 57.3 -6.4-125.0 5.2 4.3 6.0 14.0 24 44 A G E - C 0 36A 19 12,-1.0 12,-1.4 -19,-0.1 2,-0.3 -0.993 55.8-124.7 177.0-176.3 2.6 2.6 14.8 25 45 A W E - C 0 35A 162 10,-0.3 2,-0.3 -2,-0.3 10,-0.3 -0.959 14.8-173.8-151.6 148.2 2.7 -1.1 15.2 26 46 A Y E - C 0 34A 52 8,-2.1 8,-2.6 -2,-0.3 2,-0.4 -0.976 8.0-155.6-151.6 162.9 0.8 -4.2 13.9 27 47 A C + 0 0 74 -2,-0.3 2,-0.3 6,-0.2 6,-0.1 -0.982 22.2 150.9-143.0 116.8 0.8 -8.0 14.6 28 48 A T - 0 0 67 3,-2.2 -2,-0.0 -2,-0.4 5,-0.0 -0.892 56.3-102.9-134.0 176.2 -0.2 -10.8 12.3 29 49 A N S S+ 0 0 173 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.892 125.1 44.0 -62.0 -40.5 0.8 -14.5 12.0 30 50 A L S S+ 0 0 163 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.864 131.1 24.6 -68.1 -40.5 3.0 -13.7 9.0 31 51 A T + 0 0 14 1,-0.1 -3,-2.2 19,-0.0 -1,-0.3 -0.724 67.5 172.4-128.0 76.7 4.4 -10.6 10.6 32 52 A P S S+ 0 0 89 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.687 80.5 34.3 -68.5 -14.4 4.2 -10.9 14.4 33 53 A E S S+ 0 0 50 -6,-0.1 18,-2.6 -8,-0.0 2,-0.3 -0.866 81.2 156.0-136.0 99.7 6.2 -7.7 15.0 34 54 A G E -CD 26 50A 0 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.4 -0.908 23.3-150.8-122.2 160.2 5.5 -5.1 12.3 35 55 A Y E -CD 25 49A 5 14,-3.0 14,-2.1 -2,-0.3 2,-0.4 -0.961 13.1-136.4-130.6 147.0 5.8 -1.3 12.3 36 56 A A E -CD 24 48A 14 -12,-1.4 -13,-2.7 -2,-0.4 -12,-1.0 -0.844 26.2-167.3 -91.9 134.5 4.1 1.7 10.5 37 57 A V E -CD 22 47A 0 10,-2.7 10,-2.2 -2,-0.4 2,-0.5 -0.987 12.1-147.7-132.6 120.7 6.7 4.2 9.3 38 58 A E E -CD 21 46A 66 -17,-2.6 -17,-1.4 -2,-0.4 8,-0.2 -0.783 30.7-114.2 -88.5 128.2 5.7 7.8 8.1 39 59 A S E -C 20 0A 10 6,-2.2 -19,-0.3 -2,-0.5 6,-0.2 -0.383 12.6-152.3 -62.3 138.3 8.1 9.0 5.4 40 60 A E S S+ 0 0 85 -21,-2.3 -1,-0.2 1,-0.2 -20,-0.2 0.631 99.3 48.0 -81.4 -13.9 10.3 11.9 6.3 41 61 A A S S+ 0 0 72 -22,-0.6 -1,-0.2 1,-0.2 -21,-0.1 0.780 118.6 36.1 -90.8 -27.0 10.3 12.9 2.6 42 62 A H S > S- 0 0 122 3,-0.2 3,-2.0 0, 0.0 -3,-0.4 -0.777 87.2-145.9-129.6 82.3 6.5 12.6 1.9 43 63 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.130 81.6 21.5 -52.3 139.4 4.6 13.8 5.1 44 64 A G T 3 S+ 0 0 55 1,-0.3 2,-0.4 -5,-0.2 -4,-0.1 0.192 93.7 111.4 94.0 -31.6 1.4 12.0 5.7 45 65 A S < - 0 0 66 -3,-2.0 -6,-2.2 -6,-0.2 2,-0.4 -0.781 46.3-174.4 -86.3 136.0 2.3 8.8 3.7 46 66 A V E -D 38 0A 70 -2,-0.4 2,-0.3 -8,-0.2 -8,-0.2 -0.970 9.1-171.5-127.3 137.5 2.8 5.8 5.9 47 67 A Q E -D 37 0A 86 -10,-2.2 -10,-2.7 -2,-0.4 2,-0.4 -0.871 16.4-136.7-122.6 162.9 4.0 2.3 4.8 48 68 A I E +D 36 0A 102 -2,-0.3 -12,-0.2 -12,-0.2 -23,-0.0 -0.977 25.9 169.9-124.4 140.1 4.0 -0.9 7.1 49 69 A Y E -D 35 0A 22 -14,-2.1 -14,-3.0 -2,-0.4 2,-0.1 -0.982 37.7 -99.9-144.3 152.2 6.9 -3.4 7.2 50 70 A P E > -D 34 0A 54 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.426 41.6-111.9 -64.7 150.5 8.0 -6.4 9.3 51 71 A V G > S+ 0 0 32 -18,-2.6 3,-2.0 1,-0.3 -17,-0.1 0.864 115.9 63.3 -51.9 -37.4 10.7 -5.6 11.9 52 72 A A G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -19,-0.3 -39,-0.1 0.736 98.2 56.4 -65.8 -19.3 13.3 -7.7 9.9 53 73 A A G < S+ 0 0 27 -3,-1.9 -40,-2.9 -41,-0.1 -39,-0.4 0.568 102.7 68.2 -84.2 -10.7 13.0 -5.3 7.0 54 74 A L E < -B 12 0A 4 -3,-2.0 2,-0.3 -4,-0.4 -42,-0.2 -0.790 54.2-171.1-116.5 151.9 13.8 -2.2 9.0 55 75 A E E -B 11 0A 62 -44,-2.2 -44,-2.7 -2,-0.3 2,-0.2 -0.997 26.5-119.9-137.7 147.3 16.9 -0.8 10.8 56 76 A R E -B 10 0A 145 -2,-0.3 2,-0.3 -46,-0.2 -46,-0.3 -0.569 30.6-177.2 -82.7 145.6 17.1 2.2 13.1 57 77 A I 0 0 29 -48,-2.9 -48,-0.4 -2,-0.2 -1,-0.0 -0.841 360.0 360.0-133.1 165.3 19.4 5.1 12.1 58 78 A N 0 0 186 -2,-0.3 -48,-0.1 -50,-0.1 -1,-0.1 0.702 360.0 360.0 -91.4 360.0 20.3 8.3 14.0