==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-MAR-07 2P4T . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE TYPE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.DIVYA,E.GRIFITH,N.NARAYANA . 58 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3961.0 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 0 208 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.8 43.1 27.4 50.5 2 22 A A - 0 0 69 1,-0.1 31,-0.0 2,-0.1 3,-0.0 -0.197 360.0-158.6 -39.2 121.3 43.3 29.9 47.8 3 23 A T S S+ 0 0 78 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.911 86.8 22.0 -73.4 -40.2 46.4 30.2 45.5 4 24 A F S S- 0 0 19 4,-0.0 2,-0.3 52,-0.0 -2,-0.1 -0.848 72.1-151.2-121.9 165.8 45.3 33.8 44.7 5 25 A G > - 0 0 34 -2,-0.3 3,-2.2 1,-0.1 17,-0.3 -0.847 41.9 -66.8-128.7 169.2 43.3 36.4 46.4 6 26 A M T 3 S+ 0 0 136 -2,-0.3 17,-0.2 1,-0.3 3,-0.1 -0.206 119.1 20.8 -53.2 138.3 41.2 39.3 45.2 7 27 A G T 3 S+ 0 0 29 15,-2.8 -1,-0.3 1,-0.3 16,-0.1 0.268 83.9 140.4 84.5 -9.3 43.2 42.1 43.6 8 28 A D < - 0 0 43 -3,-2.2 14,-2.8 13,-0.1 2,-0.5 -0.416 53.3-127.2 -64.2 143.0 46.3 39.9 42.8 9 29 A R E +A 21 0A 87 48,-0.4 48,-2.7 12,-0.2 2,-0.3 -0.791 41.8 165.6 -91.2 126.4 47.8 40.8 39.4 10 30 A V E -AB 20 56A 0 10,-3.1 10,-2.2 -2,-0.5 2,-0.3 -0.890 22.4-155.7-136.7 166.8 48.1 37.7 37.3 11 31 A R E -AB 19 55A 110 44,-2.4 44,-2.2 -2,-0.3 2,-0.3 -0.983 31.0-101.4-139.5 156.1 48.7 36.6 33.7 12 32 A K E - B 0 54A 43 6,-2.4 42,-0.2 -2,-0.3 6,-0.2 -0.555 30.1-142.8 -71.9 135.8 47.9 33.6 31.6 13 33 A K - 0 0 107 40,-2.5 2,-0.3 -2,-0.3 -1,-0.1 0.799 69.2 -1.6 -75.3 -32.0 51.1 31.5 31.2 14 34 A S S S+ 0 0 90 39,-0.4 -1,-0.1 2,-0.2 2,-0.1 -0.975 103.5 22.5-154.7 168.5 50.7 30.3 27.7 15 35 A G S S+ 0 0 73 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.393 110.2 19.6 72.5-147.3 48.6 30.4 24.5 16 36 A A S S- 0 0 73 1,-0.1 -2,-0.2 -2,-0.1 2,-0.1 -0.283 92.1-116.4 -55.5 137.3 46.1 33.3 24.2 17 37 A A + 0 0 92 -4,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.377 38.8 164.5 -80.9 155.6 47.2 36.2 26.5 18 38 A W + 0 0 29 -6,-0.2 -6,-2.4 -2,-0.1 2,-0.3 -0.913 4.3 170.3-163.4 136.7 45.3 37.6 29.4 19 39 A Q E +A 11 0A 62 -2,-0.3 21,-2.4 -8,-0.2 22,-0.5 -0.948 26.6 81.9-155.5 135.0 46.5 39.9 32.2 20 40 A G E -AC 10 39A 0 -10,-2.2 -10,-3.1 -2,-0.3 2,-0.3 -0.979 69.6 -32.4 164.1-157.4 44.9 41.9 35.0 21 41 A Q E -AC 9 38A 98 17,-1.3 17,-2.5 -2,-0.3 2,-0.3 -0.703 52.3-109.4 -95.9 146.5 43.4 41.5 38.5 22 42 A I E + C 0 37A 3 -14,-2.8 -15,-2.8 -2,-0.3 15,-0.3 -0.487 40.6 166.5 -69.5 131.3 41.6 38.7 40.3 23 43 A V E - 0 0 54 13,-2.7 2,-0.3 -2,-0.3 14,-0.2 0.261 57.4 -16.4-127.3 1.9 38.0 39.7 40.6 24 44 A G E - C 0 36A 15 12,-1.1 12,-1.6 -19,-0.1 2,-0.3 -0.992 55.5-123.2 177.8-171.4 36.4 36.4 41.5 25 45 A W E - C 0 35A 190 10,-0.3 2,-0.3 -2,-0.3 10,-0.3 -0.971 12.9-172.1-154.9 158.9 36.4 32.7 41.7 26 46 A Y E - C 0 34A 51 8,-2.1 8,-2.2 -2,-0.3 2,-0.3 -0.979 8.4-153.2-153.2 165.4 34.6 29.5 40.6 27 47 A C + 0 0 79 -2,-0.3 2,-0.3 6,-0.2 6,-0.1 -0.956 21.3 153.4-148.3 121.9 34.6 25.8 41.2 28 48 A T - 0 0 66 3,-2.3 -2,-0.0 -2,-0.3 5,-0.0 -0.865 55.8-101.6-135.1 174.9 33.5 22.9 39.0 29 49 A N S S+ 0 0 174 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.885 126.0 45.6 -64.7 -36.4 34.5 19.2 38.7 30 50 A L S S+ 0 0 159 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.856 129.8 24.6 -72.4 -35.2 36.6 20.1 35.7 31 51 A T + 0 0 14 1,-0.1 -3,-2.3 19,-0.0 -1,-0.3 -0.731 66.8 174.3-131.6 82.6 38.1 23.1 37.3 32 52 A P S S+ 0 0 95 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.719 80.7 35.0 -69.3 -16.0 38.0 22.7 41.1 33 53 A E S S+ 0 0 61 -6,-0.1 18,-2.6 2,-0.0 2,-0.3 -0.897 80.3 155.5-139.2 101.6 40.0 26.0 41.6 34 54 A G E -CD 26 50A 2 -8,-2.2 -8,-2.1 -2,-0.4 2,-0.3 -0.919 22.3-153.7-129.6 156.7 39.2 28.7 39.1 35 55 A Y E -CD 25 49A 9 14,-2.8 14,-2.5 -2,-0.3 2,-0.4 -0.965 13.9-134.9-131.6 150.8 39.5 32.5 39.0 36 56 A A E -CD 24 48A 12 -12,-1.6 -13,-2.7 -2,-0.3 -12,-1.1 -0.865 26.2-167.1 -99.0 135.8 37.9 35.5 37.3 37 57 A V E -CD 22 47A 0 10,-3.0 10,-2.2 -2,-0.4 2,-0.5 -0.991 13.0-145.6-131.5 122.6 40.4 38.0 36.0 38 58 A E E -CD 21 46A 69 -17,-2.5 -17,-1.3 -2,-0.4 8,-0.2 -0.760 30.5-114.0 -87.2 125.6 39.5 41.5 34.8 39 59 A S E -C 20 0A 9 6,-2.8 -19,-0.3 -2,-0.5 5,-0.3 -0.327 13.6-153.9 -59.6 135.9 41.8 42.7 32.0 40 60 A E S S+ 0 0 88 -21,-2.4 -1,-0.2 1,-0.2 -20,-0.2 0.650 97.9 47.2 -81.3 -15.7 44.0 45.6 32.8 41 61 A A S S+ 0 0 72 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.796 117.9 38.1 -90.8 -34.1 44.0 46.5 29.1 42 62 A H S > S- 0 0 123 3,-0.2 3,-2.2 0, 0.0 -3,-0.3 -0.826 87.8-142.3-120.8 85.4 40.3 46.3 28.4 43 63 A P T 3 S+ 0 0 115 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.177 83.6 19.4 -52.7 137.9 38.4 47.6 31.4 44 64 A G T 3 S+ 0 0 58 1,-0.3 2,-0.5 -5,-0.3 -4,-0.1 0.134 93.1 119.3 90.1 -19.6 35.2 45.6 32.3 45 65 A S < - 0 0 44 -3,-2.2 -6,-2.8 -6,-0.2 2,-0.4 -0.697 42.4-176.0 -85.5 127.1 36.3 42.6 30.2 46 66 A V E -D 38 0A 70 -2,-0.5 2,-0.3 -8,-0.2 -8,-0.2 -0.981 11.7-173.5-128.6 134.5 36.6 39.5 32.4 47 67 A H E -D 37 0A 77 -10,-2.2 -10,-3.0 -2,-0.4 2,-0.4 -0.914 16.5-139.8-118.7 154.5 37.7 35.9 31.6 48 68 A I E +D 36 0A 102 -2,-0.3 -12,-0.2 -12,-0.2 -23,-0.0 -0.917 27.0 170.9-110.8 142.2 37.6 32.9 33.9 49 69 A Y E -D 35 0A 31 -14,-2.5 -14,-2.8 -2,-0.4 -23,-0.1 -0.992 37.3-100.9-146.4 154.1 40.5 30.4 34.0 50 70 A P E > -D 34 0A 52 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.416 41.0-112.9 -68.0 151.5 41.7 27.4 36.0 51 71 A V G > S+ 0 0 32 -18,-2.6 3,-1.9 1,-0.3 -17,-0.1 0.851 114.6 63.3 -54.9 -37.3 44.4 28.2 38.5 52 72 A A G 3 S+ 0 0 73 -19,-0.3 -1,-0.3 1,-0.3 -18,-0.1 0.716 97.3 58.0 -66.0 -17.8 47.0 26.2 36.6 53 73 A A G < S+ 0 0 28 -3,-2.1 -40,-2.5 -41,-0.1 -39,-0.4 0.546 102.7 65.6 -84.2 -7.8 46.6 28.5 33.6 54 74 A L E < -B 12 0A 4 -3,-1.9 2,-0.3 -4,-0.4 -42,-0.2 -0.809 55.0-170.0-120.8 156.0 47.6 31.6 35.6 55 75 A E E -B 11 0A 66 -44,-2.2 -44,-2.4 -2,-0.3 2,-0.2 -0.998 28.4-114.6-142.0 146.7 50.6 33.0 37.4 56 76 A R E -B 10 0A 158 -2,-0.3 2,-0.3 -46,-0.2 -46,-0.3 -0.489 33.9-175.6 -77.9 140.9 51.0 36.0 39.8 57 77 A I 0 0 33 -48,-2.7 -48,-0.4 -2,-0.2 -1,-0.0 -0.850 360.0 360.0-129.3 169.5 53.1 38.9 38.6 58 78 A N 0 0 193 -2,-0.3 -50,-0.0 -50,-0.1 -48,-0.0 -0.612 360.0 360.0 -74.8 360.0 54.2 42.1 40.3