==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-OCT-07 2RH2 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE TYPE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.M.KRAHN,R.E.LONDON . 57 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 56.1 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 38.6 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 1.8 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-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 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.0 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 22 A A 0 0 120 0, 0.0 31,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 136.3 9.4 -4.2 20.9 2 23 A T + 0 0 81 1,-0.0 2,-0.3 2,-0.0 30,-0.0 0.853 360.0 31.0 -66.5 -40.4 12.5 -3.5 18.8 3 24 A F - 0 0 18 4,-0.0 2,-0.3 6,-0.0 -1,-0.0 -0.880 69.1-150.6-121.0 159.3 11.4 0.0 18.0 4 25 A G > - 0 0 34 -2,-0.3 3,-2.2 1,-0.1 17,-0.3 -0.814 41.7 -71.1-121.4 165.5 9.5 2.7 19.7 5 26 A M T 3 S+ 0 0 138 -2,-0.3 17,-0.2 1,-0.3 3,-0.1 -0.252 119.2 21.2 -54.4 133.2 7.3 5.6 18.5 6 27 A G T 3 S+ 0 0 36 15,-2.7 -1,-0.3 1,-0.3 16,-0.1 0.255 83.8 140.5 90.8 -12.5 9.4 8.3 17.0 7 28 A D < - 0 0 46 -3,-2.2 14,-2.6 13,-0.1 2,-0.5 -0.381 53.9-124.8 -60.3 141.9 12.5 6.2 16.1 8 29 A R E +A 20 0A 93 48,-0.4 48,-2.6 12,-0.2 2,-0.3 -0.792 43.0 167.4 -89.6 123.6 14.0 7.0 12.8 9 30 A V E -AB 19 55A 0 10,-2.9 10,-2.3 -2,-0.5 2,-0.3 -0.897 20.7-161.9-133.0 165.4 14.2 3.9 10.6 10 31 A R E -AB 18 54A 109 44,-2.4 44,-2.5 -2,-0.3 2,-0.2 -0.975 33.6 -96.6-141.4 159.1 14.9 2.9 7.1 11 32 A K E - B 0 53A 35 6,-2.1 42,-0.3 -2,-0.3 6,-0.2 -0.559 29.9-144.6 -66.7 138.3 14.3 -0.1 4.9 12 33 A K S S- 0 0 109 40,-2.5 2,-0.3 -2,-0.2 -1,-0.1 0.784 70.9 -4.7 -72.7 -37.0 17.4 -2.2 4.8 13 34 A S S S+ 0 0 90 39,-0.4 -1,-0.1 2,-0.2 2,-0.1 -0.955 106.3 19.7-155.1 169.3 17.1 -3.4 1.2 14 35 A G S S+ 0 0 75 -2,-0.3 -3,-0.0 -3,-0.1 2,-0.0 -0.346 109.7 27.6 65.7-139.8 15.0 -3.3 -1.9 15 36 A A S S- 0 0 73 1,-0.1 -2,-0.2 -2,-0.1 2,-0.2 -0.302 89.4-124.0 -57.4 136.3 12.4 -0.6 -2.1 16 37 A A + 0 0 89 -4,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.467 37.8 159.4 -85.6 153.4 13.5 2.4 -0.0 17 38 A W + 0 0 35 -6,-0.2 -6,-2.1 -2,-0.2 2,-0.3 -0.903 7.8 176.2-166.2 141.5 11.6 4.0 2.8 18 39 A Q E +A 10 0A 61 -2,-0.3 21,-2.5 -8,-0.2 22,-0.5 -0.971 28.4 79.3-154.9 135.3 12.8 6.3 5.6 19 40 A G E -AC 9 38A 0 -10,-2.3 -10,-2.9 -2,-0.3 2,-0.3 -0.981 69.4 -28.1 162.7-156.4 11.2 8.2 8.4 20 41 A Q E -AC 8 37A 105 17,-1.4 17,-2.6 -2,-0.3 2,-0.3 -0.682 52.0-112.7 -96.6 140.2 9.6 7.9 11.9 21 42 A I E + C 0 36A 3 -14,-2.6 -15,-2.7 -2,-0.3 15,-0.2 -0.537 40.3 166.7 -61.9 125.6 7.9 4.9 13.6 22 43 A V E - 0 0 51 13,-2.8 2,-0.3 -2,-0.3 14,-0.2 0.297 56.5 -12.7-127.7 4.2 4.2 6.0 13.9 23 44 A G E - C 0 35A 19 12,-1.1 12,-1.8 -19,-0.1 2,-0.3 -0.984 55.9-122.7 175.4-170.2 2.6 2.6 14.8 24 45 A W E - C 0 34A 163 10,-0.3 2,-0.3 -2,-0.3 10,-0.3 -0.957 13.5-172.4-152.0 152.3 2.7 -1.1 15.0 25 46 A Y E - C 0 33A 51 8,-2.1 8,-2.4 -2,-0.3 2,-0.3 -0.981 6.9-157.7-152.2 163.0 0.9 -4.2 13.8 26 47 A C + 0 0 73 -2,-0.3 2,-0.3 6,-0.2 6,-0.1 -0.944 20.9 152.3-148.8 119.6 0.9 -8.0 14.5 27 48 A T - 0 0 64 3,-2.3 -2,-0.0 -2,-0.3 5,-0.0 -0.853 56.5-102.1-131.9 172.1 -0.2 -10.9 12.3 28 49 A N S S+ 0 0 173 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.879 126.1 45.9 -65.4 -34.0 0.9 -14.5 12.0 29 50 A L S S+ 0 0 157 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.890 130.6 24.0 -69.8 -39.1 2.8 -13.7 8.9 30 51 A T + 0 0 14 1,-0.1 -3,-2.3 19,-0.0 -1,-0.3 -0.764 67.8 173.2-129.1 80.0 4.3 -10.5 10.6 31 52 A P S S+ 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.751 80.5 33.1 -70.9 -17.2 4.2 -11.0 14.3 32 53 A E S S+ 0 0 54 -6,-0.1 18,-2.7 -8,-0.0 2,-0.3 -0.897 80.7 155.9-137.4 103.2 6.2 -7.7 14.8 33 54 A G E -CD 25 49A 0 -8,-2.4 -8,-2.1 -2,-0.4 2,-0.3 -0.898 22.9-150.5-127.6 159.3 5.5 -5.0 12.2 34 55 A Y E -CD 24 48A 4 14,-2.8 14,-2.4 -2,-0.3 2,-0.4 -0.958 12.5-136.6-132.7 148.5 5.8 -1.3 12.2 35 56 A A E -CD 23 47A 12 -12,-1.8 -13,-2.8 -2,-0.3 -12,-1.1 -0.885 25.7-167.1 -98.5 132.5 4.1 1.7 10.5 36 57 A V E -CD 21 46A 0 10,-2.8 10,-2.1 -2,-0.4 2,-0.5 -0.986 12.5-147.3-127.3 122.9 6.7 4.3 9.2 37 58 A E E -CD 20 45A 65 -17,-2.6 -17,-1.4 -2,-0.4 8,-0.2 -0.776 31.0-114.7 -88.5 125.6 5.8 7.8 8.1 38 59 A S E -C 19 0A 8 6,-2.6 -19,-0.3 -2,-0.5 5,-0.2 -0.366 13.0-152.3 -59.4 136.2 8.1 9.0 5.3 39 60 A E S S+ 0 0 87 -21,-2.5 -1,-0.2 1,-0.2 -20,-0.2 0.639 99.7 46.5 -78.9 -18.2 10.3 12.0 6.3 40 61 A A S S+ 0 0 72 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.745 118.4 39.2 -89.3 -30.3 10.3 13.0 2.6 41 62 A H S > S- 0 0 117 3,-0.2 3,-2.2 0, 0.0 -3,-0.4 -0.749 86.0-145.6-126.7 81.5 6.6 12.6 2.0 42 63 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.132 82.1 18.8 -52.2 136.8 4.6 13.9 5.0 43 64 A G T 3 S+ 0 0 56 1,-0.2 2,-0.5 -5,-0.2 -4,-0.1 0.179 93.3 115.0 90.7 -22.5 1.4 11.9 5.7 44 65 A S < - 0 0 60 -3,-2.2 -6,-2.6 -6,-0.2 2,-0.4 -0.795 44.1-176.2 -88.3 126.5 2.4 8.9 3.7 45 66 A V E -D 37 0A 70 -2,-0.5 2,-0.3 -8,-0.2 -8,-0.2 -0.948 8.5-174.0-122.3 139.9 2.8 5.8 5.9 46 67 A Q E -D 36 0A 86 -10,-2.1 -10,-2.8 -2,-0.4 2,-0.4 -0.963 16.5-136.1-136.0 150.7 3.9 2.3 4.9 47 68 A I E +D 35 0A 98 -2,-0.3 -12,-0.2 -12,-0.2 -23,-0.0 -0.873 26.3 167.7-110.7 140.0 4.0 -0.8 7.0 48 69 A Y E -D 34 0A 30 -14,-2.4 -14,-2.8 -2,-0.4 -23,-0.1 -0.994 38.1 -97.6-145.2 153.8 6.8 -3.4 7.1 49 70 A P E > -D 33 0A 54 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.356 40.5-112.7 -63.6 151.5 8.0 -6.4 9.2 50 71 A V G > S+ 0 0 32 -18,-2.7 3,-1.9 1,-0.3 -17,-0.1 0.856 115.1 62.6 -54.3 -39.8 10.7 -5.6 11.8 51 72 A A G 3 S+ 0 0 72 -19,-0.3 -1,-0.3 1,-0.3 -39,-0.1 0.714 98.7 57.0 -63.0 -20.8 13.3 -7.6 9.8 52 73 A A G < S+ 0 0 29 -3,-1.9 -40,-2.5 -41,-0.1 -39,-0.4 0.536 102.0 69.0 -82.9 -8.7 12.9 -5.2 6.9 53 74 A L E < -B 11 0A 5 -3,-1.9 2,-0.3 -4,-0.3 -42,-0.2 -0.824 54.2-170.6-120.6 153.1 13.8 -2.1 9.0 54 75 A E E -B 10 0A 60 -44,-2.5 -44,-2.4 -2,-0.3 2,-0.3 -0.992 26.5-118.1-139.1 143.8 16.9 -0.7 10.7 55 76 A R E -B 9 0A 158 -2,-0.3 2,-0.3 -46,-0.2 -46,-0.3 -0.605 32.8-177.2 -80.7 142.2 17.2 2.2 13.1 56 77 A I 0 0 38 -48,-2.6 -48,-0.4 -2,-0.3 -1,-0.0 -0.844 360.0 360.0-130.6 164.0 19.4 5.2 12.0 57 78 A N 0 0 186 -2,-0.3 -1,-0.1 -50,-0.1 -49,-0.1 0.853 360.0 360.0 -73.4 360.0 20.4 8.4 13.7