==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-OCT-96 1VIE . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.NARAYANA,D.A.MATTHEWS,E.E.HOWELL,N.-H.XUONG . 60 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 53.3 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 36.7 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.7 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+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 19 A P 0 0 128 0, 0.0 2,-0.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 148.5 40.9 32.5 51.1 2 20 A S + 0 0 136 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.374 360.0 17.4 -54.1 14.3 42.6 30.3 53.7 3 21 A N S S+ 0 0 132 -2,-0.9 -1,-0.2 3,-0.1 0, 0.0 0.572 87.0 123.4-156.6 -27.4 44.0 28.4 50.7 4 22 A A - 0 0 24 -3,-0.2 3,-0.0 1,-0.1 31,-0.0 0.052 54.4-134.2 -48.9 145.9 43.9 30.2 47.2 5 23 A T S S+ 0 0 81 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.913 88.6 27.3 -71.1 -38.2 47.0 30.8 45.1 6 24 A F S S- 0 0 16 4,-0.0 2,-0.3 52,-0.0 -3,-0.1 -0.849 70.2-145.6-123.8 164.7 46.0 34.3 44.3 7 25 A G > - 0 0 27 -2,-0.3 3,-2.9 1,-0.1 17,-0.3 -0.808 40.3 -76.7-123.4 163.1 44.0 37.1 46.0 8 26 A M T 3 S+ 0 0 136 1,-0.3 17,-0.2 -2,-0.3 3,-0.1 -0.283 121.2 26.1 -56.6 135.2 41.8 39.9 44.7 9 27 A G T 3 S+ 0 0 53 15,-2.5 -1,-0.3 1,-0.3 16,-0.1 0.269 84.5 141.9 95.2 -16.6 43.9 42.6 43.4 10 28 A D < - 0 0 46 -3,-2.9 14,-2.3 13,-0.1 2,-0.6 -0.277 51.5-129.8 -58.4 142.1 46.9 40.3 42.5 11 29 A R E +A 23 0A 120 12,-0.2 48,-2.9 -3,-0.1 2,-0.3 -0.843 41.8 164.2 -96.7 121.9 48.5 41.4 39.3 12 30 A V E -AB 22 58A 0 10,-3.0 10,-2.1 -2,-0.6 2,-0.3 -0.883 24.2-158.6-134.8 170.5 48.9 38.4 37.0 13 31 A R E -AB 21 57A 94 44,-2.0 44,-2.1 -2,-0.3 2,-0.3 -0.970 34.2 -97.7-142.7 162.3 49.5 37.3 33.4 14 32 A K E - B 0 56A 34 6,-2.2 42,-0.2 -2,-0.3 6,-0.2 -0.642 30.3-141.6 -78.9 138.7 48.9 34.3 31.3 15 33 A K S S- 0 0 107 40,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.764 71.7 -8.7 -68.7 -32.4 52.1 32.1 31.1 16 34 A S S S+ 0 0 90 39,-0.4 -1,-0.1 2,-0.2 2,-0.1 -0.966 104.3 28.0-159.4 174.5 51.8 31.2 27.5 17 35 A G S S+ 0 0 75 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.395 109.3 20.6 66.3-142.3 49.7 31.2 24.3 18 36 A A S S- 0 0 75 -2,-0.1 -2,-0.2 1,-0.1 2,-0.2 -0.300 90.9-120.8 -57.8 140.9 47.2 34.0 24.0 19 37 A A + 0 0 90 -4,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.507 38.4 161.5 -87.0 157.7 48.2 36.9 26.2 20 38 A W + 0 0 37 -6,-0.2 -6,-2.2 -2,-0.2 2,-0.3 -0.897 6.1 173.2-166.8 138.9 46.2 38.4 29.1 21 39 A Q E +A 13 0A 63 -2,-0.3 21,-2.5 -8,-0.2 22,-0.5 -0.965 26.9 83.8-156.5 137.8 47.4 40.6 32.0 22 40 A G E -AC 12 41A 0 -10,-2.1 -10,-3.0 -2,-0.3 2,-0.3 -0.989 68.5 -31.7 163.9-158.3 45.7 42.5 34.7 23 41 A Q E -AC 11 40A 61 17,-1.5 17,-2.1 -2,-0.3 2,-0.3 -0.695 51.3-110.8-101.1 147.6 44.2 42.2 38.1 24 42 A I E + C 0 39A 4 -14,-2.3 -15,-2.5 -2,-0.3 15,-0.3 -0.571 40.9 164.7 -69.1 127.4 42.3 39.3 39.8 25 43 A V E - 0 0 50 13,-2.7 2,-0.3 -2,-0.3 14,-0.2 0.248 56.7 -10.2-126.2 2.8 38.7 40.3 40.2 26 44 A G E - C 0 38A 16 12,-1.2 12,-1.6 -19,-0.1 2,-0.3 -0.994 55.2-122.7 180.0-172.4 37.0 37.1 40.9 27 45 A W E - C 0 37A 135 -2,-0.3 2,-0.3 10,-0.3 10,-0.3 -0.983 13.6-177.3-155.3 154.3 37.0 33.3 41.2 28 46 A Y E - C 0 36A 53 8,-2.1 8,-2.1 -2,-0.3 2,-0.3 -0.984 6.8-160.5-154.4 159.9 35.2 30.1 40.0 29 47 A C + 0 0 80 -2,-0.3 2,-0.3 6,-0.2 6,-0.1 -0.963 17.4 155.0-151.5 127.6 35.3 26.4 40.6 30 48 A T - 0 0 67 3,-1.9 -2,-0.0 -2,-0.3 5,-0.0 -0.857 56.9 -98.4-137.4 172.9 34.1 23.5 38.6 31 49 A N S S+ 0 0 175 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.876 126.7 46.3 -61.7 -36.9 35.0 19.9 38.4 32 50 A L S S+ 0 0 159 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.786 129.2 23.3 -70.8 -37.0 37.1 20.7 35.3 33 51 A T + 0 0 18 1,-0.1 -3,-1.9 19,-0.0 -1,-0.3 -0.755 68.1 176.8-129.0 79.2 38.7 23.8 36.8 34 52 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.645 79.9 34.8 -66.0 -9.4 38.6 23.3 40.6 35 53 A E S S+ 0 0 40 -6,-0.1 18,-2.5 2,-0.0 2,-0.3 -0.862 79.9 155.1-145.3 102.6 40.6 26.6 41.1 36 54 A G E -CD 28 52A 0 -8,-2.1 -8,-2.1 -2,-0.3 2,-0.3 -0.931 22.9-151.8-131.4 158.0 39.9 29.4 38.5 37 55 A Y E -CD 27 51A 5 14,-2.5 14,-2.5 -2,-0.3 2,-0.5 -0.949 11.9-136.9-133.2 149.4 40.2 33.1 38.5 38 56 A A E -CD 26 50A 12 -12,-1.6 -13,-2.7 -2,-0.3 -12,-1.2 -0.894 25.5-166.4-102.4 137.9 38.6 36.0 36.7 39 57 A V E -CD 24 49A 1 10,-3.1 10,-2.0 -2,-0.5 2,-0.5 -0.977 14.4-148.8-131.7 122.4 40.9 38.6 35.5 40 58 A E E -CD 23 48A 50 -17,-2.1 -17,-1.5 -2,-0.4 8,-0.2 -0.687 31.9-117.6 -89.5 124.1 40.2 42.2 34.3 41 59 A S E -C 22 0A 8 6,-2.3 -19,-0.3 -2,-0.5 6,-0.2 -0.377 10.1-147.5 -60.1 141.6 42.6 43.3 31.6 42 60 A E S S+ 0 0 81 -21,-2.5 -1,-0.2 1,-0.2 -20,-0.2 0.629 99.3 50.3 -83.9 -11.2 44.7 46.3 32.6 43 61 A A S S+ 0 0 73 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.784 116.5 37.9 -92.2 -26.8 44.8 47.4 28.9 44 62 A H S > S- 0 0 119 3,-0.2 3,-2.1 0, 0.0 -3,-0.3 -0.784 86.2-144.3-127.6 83.4 41.1 47.2 28.3 45 63 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.191 82.6 21.4 -52.7 133.9 39.1 48.3 31.3 46 64 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 -5,-0.2 -4,-0.1 0.118 92.1 115.4 97.2 -22.3 35.9 46.4 32.0 47 65 A S < - 0 0 59 -3,-2.1 -6,-2.3 -6,-0.2 2,-0.3 -0.765 43.2-175.0 -88.6 121.9 36.9 43.3 30.0 48 66 A V E -D 40 0A 66 -2,-0.5 2,-0.3 -8,-0.2 -8,-0.2 -0.931 7.9-172.8-117.4 142.8 37.2 40.2 32.1 49 67 A Q E -D 39 0A 85 -10,-2.0 -10,-3.1 -2,-0.3 2,-0.4 -0.939 17.4-136.3-128.6 149.1 38.5 36.7 31.0 50 68 A I E +D 38 0A 101 -2,-0.3 -12,-0.2 -12,-0.2 -23,-0.0 -0.902 27.4 169.5-109.1 138.9 38.4 33.5 33.2 51 69 A Y E -D 37 0A 31 -14,-2.5 -14,-2.5 -2,-0.4 -23,-0.1 -0.997 36.5-101.0-146.0 157.1 41.2 31.0 33.4 52 70 A P E > -D 36 0A 56 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.400 40.4-112.4 -74.1 150.5 42.4 28.0 35.4 53 71 A V G > S+ 0 0 35 -18,-2.5 3,-1.8 1,-0.3 -17,-0.1 0.855 114.2 64.4 -47.2 -42.3 45.1 28.7 38.0 54 72 A A G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -19,-0.3 -39,-0.1 0.754 96.9 56.2 -55.6 -29.3 47.6 26.7 36.0 55 73 A A G < S+ 0 0 27 -3,-2.0 -40,-2.3 -41,-0.1 -39,-0.4 0.566 100.8 72.1 -80.8 -13.0 47.5 29.2 33.2 56 74 A L E < -B 14 0A 6 -3,-1.8 2,-0.4 -4,-0.4 -42,-0.2 -0.723 53.0-170.8-111.0 151.4 48.4 32.2 35.3 57 75 A E E -B 13 0A 67 -44,-2.1 -44,-2.0 -2,-0.3 2,-0.1 -0.999 29.2-115.9-140.0 139.0 51.4 33.6 37.1 58 76 A R E -B 12 0A 130 -2,-0.4 2,-1.0 -46,-0.2 -46,-0.3 -0.460 35.3-116.1 -70.0 143.5 51.7 36.5 39.6 59 77 A I 0 0 41 -48,-2.9 -48,-0.1 -2,-0.1 -1,-0.1 -0.725 360.0 360.0-105.2 101.7 53.8 39.5 38.3 60 78 A N 0 0 192 -2,-1.0 -48,-0.0 0, 0.0 0, 0.0 -0.252 360.0 360.0 -85.4 360.0 56.9 40.2 40.2