==== 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 1VIF . 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) . 4007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 50.0 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 . 2 3.3 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 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.4 41.4 32.5 51.4 2 20 A S + 0 0 127 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.394 360.0 2.9 -63.6 15.0 42.9 30.0 53.7 3 21 A N S S+ 0 0 124 3,-0.1 -1,-0.2 1,-0.0 0, 0.0 0.497 85.8 128.8-170.5 -37.0 44.4 28.4 50.6 4 22 A A - 0 0 22 1,-0.1 31,-0.0 2,-0.1 -1,-0.0 -0.107 55.8-131.4 -44.5 145.4 43.8 30.1 47.3 5 23 A T S S+ 0 0 80 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.863 87.8 26.0 -68.6 -36.6 47.0 30.8 45.2 6 24 A F - 0 0 17 4,-0.0 2,-0.3 52,-0.0 -3,-0.1 -0.895 69.8-144.9-129.4 161.9 46.0 34.4 44.6 7 25 A G > - 0 0 25 -2,-0.3 3,-2.6 1,-0.1 17,-0.3 -0.758 41.6 -70.0-121.3 166.5 44.0 37.1 46.2 8 26 A M T 3 S+ 0 0 140 1,-0.3 17,-0.2 -2,-0.3 3,-0.1 -0.264 119.5 20.3 -54.3 129.0 41.8 39.9 45.0 9 27 A G T 3 S+ 0 0 54 15,-2.2 -1,-0.3 1,-0.3 16,-0.1 0.327 84.1 142.4 94.4 -9.6 43.8 42.5 43.4 10 28 A D < - 0 0 48 -3,-2.6 14,-2.3 13,-0.1 2,-0.5 -0.350 51.1-125.7 -63.4 147.9 46.9 40.5 42.7 11 29 A R E +A 23 0A 121 48,-0.3 48,-2.7 12,-0.2 2,-0.3 -0.815 43.2 160.1 -96.2 127.3 48.5 41.4 39.4 12 30 A V E -AB 22 58A 0 10,-2.9 10,-2.2 -2,-0.5 2,-0.3 -0.899 24.8-156.3-141.1 171.2 48.9 38.4 37.1 13 31 A R E -AB 21 57A 97 44,-2.1 44,-2.6 -2,-0.3 2,-0.3 -0.972 34.1 -97.1-145.1 160.5 49.5 37.3 33.5 14 32 A K E - B 0 56A 32 6,-2.1 42,-0.3 -2,-0.3 6,-0.2 -0.628 31.4-141.5 -77.1 134.9 48.9 34.3 31.4 15 33 A K S S- 0 0 98 40,-2.2 2,-0.3 -2,-0.3 -1,-0.1 0.768 70.6 -7.2 -68.7 -31.4 52.1 32.2 31.2 16 34 A S S S+ 0 0 90 39,-0.4 -1,-0.1 2,-0.2 2,-0.1 -0.975 103.7 28.1-159.2 173.2 51.8 31.2 27.5 17 35 A G S S+ 0 0 73 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.395 109.9 20.5 69.2-144.5 49.7 31.1 24.4 18 36 A A S S- 0 0 76 -2,-0.1 -2,-0.2 1,-0.1 2,-0.2 -0.196 92.0-117.9 -54.0 140.7 47.1 34.0 24.0 19 37 A A + 0 0 92 -4,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.529 39.3 161.9 -86.7 156.3 48.2 36.9 26.2 20 38 A W + 0 0 38 -6,-0.2 -6,-2.1 -2,-0.2 2,-0.3 -0.921 4.9 171.3-162.8 138.8 46.3 38.4 29.2 21 39 A Q E +A 13 0A 66 -2,-0.3 21,-2.3 -8,-0.2 22,-0.5 -0.938 26.6 82.7-157.8 134.8 47.4 40.6 32.0 22 40 A G E -AC 12 41A 0 -10,-2.2 -10,-2.9 -2,-0.3 2,-0.3 -0.966 67.6 -31.8 168.3-154.1 45.7 42.4 34.8 23 41 A Q E -AC 11 40A 68 17,-1.8 17,-2.6 -2,-0.3 2,-0.4 -0.760 49.9-112.0-105.6 145.7 44.1 42.1 38.2 24 42 A I E + C 0 39A 3 -14,-2.3 -15,-2.2 -2,-0.3 15,-0.2 -0.548 41.4 162.2 -68.6 123.7 42.4 39.3 39.9 25 43 A V E - 0 0 50 13,-2.8 2,-0.3 -2,-0.4 14,-0.2 0.254 57.2 -5.0-126.6 8.5 38.7 40.3 40.4 26 44 A G E - C 0 38A 18 12,-1.1 12,-1.8 -19,-0.1 2,-0.3 -0.997 55.9-128.5-179.4-177.6 37.0 37.1 41.1 27 45 A W E - C 0 37A 141 -2,-0.3 2,-0.3 10,-0.3 10,-0.3 -0.983 12.0-173.0-151.9 158.5 37.0 33.3 41.4 28 46 A Y E - C 0 36A 55 8,-2.1 8,-2.4 -2,-0.3 2,-0.3 -0.978 6.5-158.6-152.9 162.1 35.3 30.1 40.2 29 47 A C + 0 0 79 -2,-0.3 2,-0.3 6,-0.2 6,-0.1 -0.940 19.4 152.0-151.0 123.4 35.3 26.4 40.8 30 48 A T - 0 0 69 3,-2.1 -2,-0.0 -2,-0.3 5,-0.0 -0.840 57.0 -98.7-136.7 173.8 34.1 23.5 38.7 31 49 A N S S+ 0 0 175 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.886 126.7 44.4 -63.0 -37.0 35.1 19.8 38.5 32 50 A L S S+ 0 0 164 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.806 129.0 25.8 -75.3 -34.3 37.1 20.6 35.5 33 51 A T + 0 0 21 1,-0.1 -3,-2.1 19,-0.0 -1,-0.3 -0.741 66.7 174.9-130.9 82.6 38.7 23.8 37.0 34 52 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.653 79.3 34.5 -66.9 -14.9 38.7 23.4 40.7 35 53 A E S S+ 0 0 50 -3,-0.1 18,-2.8 -6,-0.1 2,-0.3 -0.837 79.2 157.5-143.2 100.0 40.6 26.6 41.2 36 54 A G E -CD 28 52A 0 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.3 -0.891 21.9-153.1-125.6 156.2 39.9 29.3 38.7 37 55 A Y E -CD 27 51A 3 14,-2.6 14,-2.3 -2,-0.3 2,-0.5 -0.944 12.6-138.7-130.3 149.1 40.2 33.1 38.6 38 56 A A E -CD 26 50A 14 -12,-1.8 -13,-2.8 -2,-0.3 -12,-1.1 -0.916 26.0-165.5-101.7 132.2 38.5 36.0 36.8 39 57 A V E -CD 24 49A 0 10,-3.0 10,-2.2 -2,-0.5 2,-0.5 -0.987 13.0-146.3-126.2 126.2 41.0 38.6 35.7 40 58 A E E -CD 23 48A 49 -17,-2.6 -17,-1.8 -2,-0.4 8,-0.2 -0.761 30.8-115.6 -90.4 127.6 40.2 42.2 34.5 41 59 A S E -C 22 0A 8 6,-2.7 -19,-0.3 -2,-0.5 6,-0.2 -0.389 12.3-150.6 -62.3 138.8 42.6 43.4 31.7 42 60 A E S S+ 0 0 80 -21,-2.3 -1,-0.2 1,-0.2 -20,-0.1 0.570 98.2 47.3 -85.1 -9.0 44.8 46.3 32.7 43 61 A A S S+ 0 0 73 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.717 117.2 38.8 -99.0 -24.4 44.8 47.4 29.1 44 62 A H S > S- 0 0 120 3,-0.2 3,-2.0 0, 0.0 -3,-0.4 -0.756 86.8-143.7-128.4 83.6 41.1 47.1 28.3 45 63 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.153 81.8 21.1 -52.6 137.1 39.2 48.3 31.4 46 64 A G T 3 S+ 0 0 57 1,-0.2 2,-0.6 -5,-0.2 -4,-0.1 0.150 92.6 117.1 92.9 -21.1 35.9 46.4 32.1 47 65 A S < - 0 0 60 -3,-2.0 -6,-2.7 -6,-0.2 2,-0.4 -0.732 42.5-176.0 -87.5 122.5 37.0 43.3 30.1 48 66 A V E -D 40 0A 68 -2,-0.6 2,-0.3 -8,-0.2 -8,-0.2 -0.927 9.5-176.4-119.4 141.3 37.3 40.2 32.2 49 67 A Q E -D 39 0A 85 -10,-2.2 -10,-3.0 -2,-0.4 2,-0.4 -0.950 17.6-136.8-130.0 152.2 38.4 36.7 31.2 50 68 A I E +D 38 0A 96 -2,-0.3 -12,-0.2 -12,-0.2 -23,-0.0 -0.889 25.1 169.3-113.9 145.1 38.5 33.6 33.4 51 69 A Y E -D 37 0A 29 -14,-2.3 -14,-2.6 -2,-0.4 -23,-0.1 -0.992 37.8 -99.3-147.2 156.4 41.3 31.0 33.6 52 70 A P E > -D 36 0A 56 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.443 43.3-110.2 -74.1 150.9 42.4 28.0 35.6 53 71 A V G > S+ 0 0 34 -18,-2.8 3,-1.5 1,-0.3 -17,-0.1 0.830 114.4 65.0 -49.5 -39.5 45.1 28.8 38.2 54 72 A A G 3 S+ 0 0 78 -19,-0.3 -1,-0.3 1,-0.3 -39,-0.1 0.700 96.5 56.5 -61.2 -20.7 47.7 26.8 36.3 55 73 A A G < S+ 0 0 29 -3,-2.0 -40,-2.2 -41,-0.1 -39,-0.4 0.525 100.6 70.2 -85.8 -3.7 47.5 29.2 33.3 56 74 A L E < -B 14 0A 7 -3,-1.5 2,-0.4 -4,-0.3 -42,-0.2 -0.825 55.7-167.3-119.0 151.5 48.4 32.3 35.4 57 75 A E E -B 13 0A 64 -44,-2.6 -44,-2.1 -2,-0.3 2,-0.2 -0.985 25.2-118.7-144.8 142.9 51.4 33.7 37.1 58 76 A R E -B 12 0A 126 -2,-0.4 2,-0.4 -46,-0.2 -46,-0.3 -0.512 33.8-117.2 -75.4 144.8 51.8 36.6 39.6 59 77 A I 0 0 38 -48,-2.7 -48,-0.3 -2,-0.2 -2,-0.0 -0.993 360.0 360.0-127.4 122.3 53.9 39.6 38.6 60 78 A N 0 0 194 -2,-0.4 -3,-0.0 0, 0.0 -48,-0.0 -0.362 360.0 360.0 99.8 360.0 56.4 40.2 40.3