==== 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 16-OCT-07 2RK1 . 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) . 3770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 54.4 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 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 . 2 3.5 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 0 121 0, 0.0 31,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 136.5 9.6 -4.3 20.9 2 23 A T + 0 0 80 1,-0.0 2,-0.3 2,-0.0 30,-0.0 0.857 360.0 30.0 -65.5 -41.4 12.6 -3.6 18.7 3 24 A F - 0 0 18 4,-0.0 2,-0.3 52,-0.0 -1,-0.0 -0.878 68.8-151.5-122.4 158.4 11.5 -0.1 18.0 4 25 A G > - 0 0 34 -2,-0.3 3,-2.2 1,-0.1 17,-0.3 -0.817 42.0 -70.2-121.2 165.3 9.5 2.6 19.7 5 26 A M T 3 S+ 0 0 137 -2,-0.3 17,-0.2 1,-0.3 3,-0.1 -0.250 119.3 20.5 -52.4 133.7 7.4 5.5 18.6 6 27 A G T 3 S+ 0 0 38 15,-2.7 -1,-0.3 1,-0.3 16,-0.1 0.236 83.8 140.2 88.2 -11.7 9.5 8.2 17.0 7 28 A D < - 0 0 46 -3,-2.2 14,-2.5 13,-0.1 2,-0.5 -0.393 54.2-124.9 -61.8 139.8 12.5 6.1 16.2 8 29 A R E +A 20 0A 91 48,-0.5 48,-2.6 12,-0.2 2,-0.3 -0.792 42.8 168.0 -87.0 124.4 14.1 7.0 12.8 9 30 A V E -AB 19 55A 0 10,-2.8 10,-2.2 -2,-0.5 2,-0.3 -0.906 20.8-161.4-135.3 162.5 14.3 3.9 10.7 10 31 A R E -AB 18 54A 104 44,-2.4 44,-2.3 -2,-0.3 2,-0.3 -0.982 33.4 -97.5-140.0 156.3 14.9 2.8 7.1 11 32 A K E - B 0 53A 36 6,-2.4 42,-0.3 -2,-0.3 6,-0.2 -0.582 30.3-142.8 -68.7 134.8 14.3 -0.2 5.0 12 33 A K S S- 0 0 109 40,-2.6 2,-0.3 -2,-0.3 -1,-0.1 0.804 70.9 -4.7 -70.2 -33.6 17.4 -2.3 4.8 13 34 A S S S+ 0 0 89 39,-0.4 -1,-0.1 2,-0.2 2,-0.1 -0.957 105.4 22.0-156.0 170.3 17.1 -3.4 1.2 14 35 A G S S+ 0 0 75 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.372 109.2 24.5 68.8-141.6 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 -0.285 90.5-119.5 -58.8 136.6 12.5 -0.5 -2.2 16 37 A A + 0 0 90 -4,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.462 38.8 161.2 -82.7 151.2 13.6 2.4 -0.0 17 38 A W + 0 0 33 -6,-0.2 -6,-2.4 -2,-0.2 2,-0.3 -0.902 6.0 172.9-161.9 140.8 11.7 3.9 2.8 18 39 A Q E +A 10 0A 59 -2,-0.3 21,-2.4 -8,-0.2 22,-0.5 -0.968 27.9 76.6-154.6 135.5 12.9 6.2 5.7 19 40 A G E -AC 9 38A 0 -10,-2.2 -10,-2.8 -2,-0.3 2,-0.3 -0.978 69.3 -23.8 161.7-150.9 11.2 8.1 8.5 20 41 A Q E -AC 8 37A 108 17,-1.5 17,-2.6 -2,-0.3 2,-0.4 -0.676 50.5-114.1-101.0 139.6 9.6 7.8 11.9 21 42 A I E + C 0 36A 3 -14,-2.5 -15,-2.7 -2,-0.3 15,-0.2 -0.548 40.6 165.0 -64.1 125.4 7.9 4.9 13.6 22 43 A V E - 0 0 51 13,-2.7 2,-0.3 -2,-0.4 14,-0.2 0.278 57.2 -12.5-126.2 3.6 4.3 5.9 13.9 23 44 A G E - C 0 35A 19 12,-1.2 12,-1.7 -19,-0.1 2,-0.3 -0.988 55.9-123.1 176.2-171.4 2.6 2.7 14.8 24 45 A W E - C 0 34A 165 10,-0.3 2,-0.3 -2,-0.3 10,-0.3 -0.961 14.0-173.4-150.1 155.7 2.6 -1.1 15.1 25 46 A Y E - C 0 33A 50 8,-2.0 8,-2.5 -2,-0.3 2,-0.4 -0.980 7.3-156.0-154.8 166.4 0.8 -4.2 13.9 26 47 A C + 0 0 71 -2,-0.3 2,-0.3 6,-0.2 6,-0.1 -0.972 20.1 152.8-151.2 120.6 0.8 -7.9 14.4 27 48 A T - 0 0 64 3,-2.3 -2,-0.0 -2,-0.4 5,-0.0 -0.867 55.9-101.6-134.2 171.8 -0.3 -10.8 12.3 28 49 A N S S+ 0 0 171 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.899 126.2 45.2 -60.9 -38.8 0.7 -14.5 12.1 29 50 A L S S+ 0 0 161 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.865 130.1 24.6 -69.9 -37.9 2.8 -13.7 9.0 30 51 A T + 0 0 16 1,-0.1 -3,-2.3 19,-0.0 -1,-0.3 -0.769 67.0 173.7-129.9 82.5 4.3 -10.6 10.6 31 52 A P S S+ 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.666 80.2 34.6 -75.5 -11.8 4.2 -11.0 14.4 32 53 A E S S+ 0 0 53 -6,-0.1 18,-2.8 2,-0.0 2,-0.3 -0.840 80.4 155.8-138.0 103.5 6.2 -7.8 14.9 33 54 A G E -CD 25 49A 0 -8,-2.5 -8,-2.0 -2,-0.3 2,-0.3 -0.887 22.6-151.2-127.4 159.9 5.4 -5.0 12.3 34 55 A Y E -CD 24 48A 5 14,-2.7 14,-2.4 -2,-0.3 2,-0.4 -0.959 12.7-136.5-132.6 146.7 5.8 -1.3 12.2 35 56 A A E -CD 23 47A 13 -12,-1.7 -13,-2.7 -2,-0.3 -12,-1.2 -0.884 25.8-166.5 -97.0 131.7 4.1 1.7 10.5 36 57 A V E -CD 21 46A 0 10,-2.6 10,-2.1 -2,-0.4 2,-0.5 -0.985 12.5-147.5-126.5 122.4 6.7 4.2 9.3 37 58 A E E -CD 20 45A 67 -17,-2.6 -17,-1.5 -2,-0.4 8,-0.2 -0.773 31.1-115.0 -88.1 125.0 5.8 7.8 8.1 38 59 A S E -C 19 0A 10 6,-2.5 -19,-0.3 -2,-0.5 5,-0.2 -0.336 12.4-151.6 -59.1 136.9 8.1 9.0 5.3 39 60 A E S S+ 0 0 84 -21,-2.4 -20,-0.2 1,-0.2 -1,-0.2 0.618 99.6 47.1 -80.0 -14.9 10.3 11.9 6.3 40 61 A A S S+ 0 0 72 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.757 117.9 38.6 -93.3 -31.5 10.3 12.9 2.6 41 62 A H S > S- 0 0 117 3,-0.2 3,-2.2 0, 0.0 -3,-0.4 -0.785 86.1-144.1-126.1 83.0 6.6 12.6 2.0 42 63 A P T 3 S+ 0 0 111 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.160 82.4 19.6 -51.5 135.6 4.7 13.9 5.1 43 64 A G T 3 S+ 0 0 55 1,-0.3 2,-0.5 -5,-0.2 -4,-0.1 0.147 92.7 115.5 92.7 -20.6 1.5 11.9 5.8 44 65 A S < - 0 0 63 -3,-2.2 -6,-2.5 -6,-0.2 2,-0.4 -0.761 43.8-174.7 -91.1 132.2 2.4 8.9 3.7 45 66 A V E -D 37 0A 73 -2,-0.5 2,-0.3 -8,-0.2 -8,-0.2 -0.964 9.3-173.7-127.3 136.9 2.8 5.8 5.8 46 67 A Q E -D 36 0A 86 -10,-2.1 -10,-2.6 -2,-0.4 2,-0.4 -0.970 16.6-136.6-131.1 150.1 4.0 2.3 4.9 47 68 A I E +D 35 0A 102 -2,-0.3 -12,-0.2 -12,-0.2 -23,-0.0 -0.856 26.0 168.1-111.6 140.7 4.0 -0.9 7.0 48 69 A Y E -D 34 0A 25 -14,-2.4 -14,-2.7 -2,-0.4 -23,-0.1 -0.997 37.4-100.0-147.4 151.1 6.8 -3.4 7.2 49 70 A P E > -D 33 0A 54 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.372 41.4-112.1 -63.7 152.0 8.0 -6.4 9.3 50 71 A V G > S+ 0 0 32 -18,-2.8 3,-1.9 1,-0.3 -17,-0.1 0.847 114.8 63.0 -52.8 -39.9 10.7 -5.7 11.8 51 72 A A G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -19,-0.3 -39,-0.1 0.704 97.9 57.7 -63.2 -19.6 13.2 -7.7 9.8 52 73 A A G < S+ 0 0 29 -3,-1.9 -40,-2.6 -41,-0.1 -39,-0.4 0.546 102.1 67.7 -82.2 -10.4 12.9 -5.3 6.9 53 74 A L E < -B 11 0A 4 -3,-1.9 2,-0.3 -4,-0.3 -42,-0.2 -0.826 54.3-170.0-118.1 152.9 13.9 -2.2 9.0 54 75 A E E -B 10 0A 65 -44,-2.3 -44,-2.4 -2,-0.3 2,-0.2 -0.998 26.7-117.8-139.4 142.3 16.9 -0.8 10.8 55 76 A R E -B 9 0A 156 -2,-0.3 2,-0.3 -46,-0.2 -46,-0.3 -0.547 32.4-178.9 -77.2 141.3 17.2 2.1 13.1 56 77 A I 0 0 37 -48,-2.6 -48,-0.5 -2,-0.2 -1,-0.0 -0.862 360.0 360.0-130.4 164.7 19.4 5.1 12.1 57 78 A N 0 0 184 -2,-0.3 -48,-0.1 -50,-0.1 -1,-0.1 0.740 360.0 360.0 -81.0 360.0 20.3 8.4 13.9