==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-NOV-08 2W3V . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM AVIUM; . AUTHOR A.K.W.LEUNG,R.C.REYNOLDS,D.W.BORHANI . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 13.9 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 18 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 15.2 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 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 0 1 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 PARALLEL BRIDGES PER LADDER . 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 3 A R 0 0 152 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.3 60.1 -0.9 32.6 2 4 A A - 0 0 48 1,-0.1 2,-0.9 94,-0.0 94,-0.2 -0.557 360.0-117.9 -62.7 145.0 57.4 1.7 32.4 3 5 A E - 0 0 58 92,-2.7 2,-0.5 -2,-0.2 110,-0.1 -0.840 29.9-149.9 -90.4 103.6 59.0 4.6 30.4 4 6 A V E -a 113 0A 10 -2,-0.9 110,-2.7 108,-0.5 111,-1.4 -0.658 16.8-163.8 -82.5 121.3 58.8 7.4 33.0 5 7 A G E -ab 115 98A 0 92,-2.3 94,-3.6 -2,-0.5 2,-0.5 -0.822 14.9-153.6-109.2 147.2 58.4 10.8 31.2 6 8 A L E -ab 116 99A 0 109,-2.7 111,-2.6 -2,-0.3 2,-0.4 -0.966 14.6-174.1-113.2 134.2 58.9 14.4 32.3 7 9 A V E +a 117 0A 9 92,-2.3 2,-0.3 -2,-0.5 111,-0.2 -0.993 17.0 139.9-129.2 131.3 57.0 17.2 30.6 8 10 A W E -a 118 0A 11 109,-1.8 111,-2.3 -2,-0.4 2,-0.4 -0.975 39.4-131.0-157.9 165.9 57.4 20.9 31.2 9 11 A A E +a 119 0A 10 -2,-0.3 2,-0.3 109,-0.2 111,-0.2 -0.982 32.3 174.7-122.9 132.4 57.5 24.4 29.5 10 12 A Q E -a 120 0A 35 109,-2.4 111,-3.0 -2,-0.4 6,-0.2 -0.979 34.0-113.8-135.3 155.1 60.4 26.8 30.4 11 13 A S E > -a 121 0A 0 4,-2.1 3,-2.2 -2,-0.3 111,-0.2 -0.417 47.6-101.2 -68.8 159.8 61.7 30.2 29.4 12 14 A T T 3 S+ 0 0 82 109,-1.4 -1,-0.1 111,-0.3 110,-0.1 0.910 127.4 58.5 -49.1 -40.3 65.1 30.0 27.7 13 15 A S T 3 S- 0 0 39 110,-0.5 -1,-0.3 112,-0.1 114,-0.1 0.574 123.2-106.0 -66.6 -13.1 66.5 31.1 31.2 14 16 A G < + 0 0 2 -3,-2.2 120,-2.7 1,-0.3 2,-0.3 0.460 68.7 144.3 99.7 6.1 64.9 28.0 32.9 15 17 A V E +I 133 0B 0 118,-0.2 -4,-2.1 110,-0.2 -1,-0.3 -0.622 13.5 164.7 -74.6 131.3 61.9 29.6 34.7 16 18 A I E + 0 0 19 116,-2.8 2,-0.3 -2,-0.3 117,-0.2 0.579 65.5 23.0-113.3 -21.9 58.8 27.4 34.8 17 19 A G E +I 132 0B 12 115,-1.7 115,-2.2 5,-0.2 -1,-0.3 -0.999 51.1 174.2-150.4 147.9 56.8 29.2 37.6 18 20 A R B > S-J 21 0C 90 3,-2.5 3,-1.7 -2,-0.3 113,-0.1 -0.938 78.5 -1.4-155.6 126.8 56.4 32.6 39.3 19 21 A G T 3 S- 0 0 77 -2,-0.3 3,-0.1 1,-0.3 112,-0.1 0.793 129.6 -60.3 59.9 28.9 53.9 33.8 41.9 20 22 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 3,-0.0 2,-0.2 0.388 120.3 89.6 82.9 -0.8 52.3 30.3 41.6 21 23 A D B < S-J 18 0C 105 -3,-1.7 -3,-2.5 31,-0.0 -1,-0.3 -0.722 88.2 -96.5-122.8 166.1 51.5 30.7 37.9 22 24 A I - 0 0 87 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.798 40.4-139.4 -76.9 118.9 53.1 30.0 34.5 23 25 A P S S+ 0 0 35 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.046 72.5 45.2 -82.9 36.0 54.5 33.5 33.7 24 26 A W S S- 0 0 31 -2,-0.6 2,-0.5 2,-0.0 -2,-0.1 -0.968 74.6-119.4-157.4 171.6 53.5 33.6 29.9 25 27 A S + 0 0 83 -2,-0.3 130,-0.3 128,-0.1 128,-0.1 -0.948 42.1 147.6-121.4 105.0 50.6 32.9 27.5 26 28 A V >> - 0 0 7 -2,-0.5 3,-1.8 1,-0.1 4,-0.9 -0.745 20.4-175.0-136.9 84.7 51.4 30.3 24.8 27 29 A P H 3> S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.832 82.5 65.8 -47.4 -38.1 48.1 28.3 24.0 28 30 A E H 3> S+ 0 0 37 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.805 95.4 56.8 -59.7 -31.4 50.2 26.0 21.7 29 31 A D H <> S+ 0 0 11 -3,-1.8 4,-3.0 2,-0.2 -1,-0.3 0.917 104.2 51.1 -66.1 -40.3 52.1 24.7 24.7 30 32 A L H X S+ 0 0 102 -4,-0.9 4,-2.2 -3,-0.4 -2,-0.2 0.904 109.3 52.2 -68.3 -34.5 48.9 23.6 26.4 31 33 A T H X S+ 0 0 62 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.928 110.8 46.4 -59.5 -50.4 47.9 21.8 23.2 32 34 A R H X S+ 0 0 68 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.897 110.6 54.4 -57.6 -43.1 51.2 19.9 23.1 33 35 A F H X S+ 0 0 40 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.925 111.2 44.3 -59.7 -45.3 50.9 19.1 26.8 34 36 A K H X S+ 0 0 106 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.924 111.8 52.4 -64.8 -44.3 47.5 17.5 26.3 35 37 A E H < S+ 0 0 147 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.866 114.3 44.7 -60.2 -37.3 48.7 15.7 23.1 36 38 A V H < S+ 0 0 19 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.878 122.2 33.6 -71.4 -42.8 51.6 14.2 25.2 37 39 A T H >< S+ 0 0 0 -4,-2.3 3,-2.2 -5,-0.2 -2,-0.2 0.671 80.9 123.0 -96.6 -19.9 49.8 13.2 28.4 38 40 A M T 3< S+ 0 0 83 -4,-2.4 24,-0.2 1,-0.2 23,-0.1 -0.168 82.3 14.5 -49.0 129.0 46.2 12.1 27.2 39 41 A G T 3 S+ 0 0 61 22,-1.7 -1,-0.2 1,-0.3 2,-0.2 0.364 111.6 95.9 93.3 -2.4 45.4 8.6 28.3 40 42 A H S < S- 0 0 51 -3,-2.2 23,-0.9 54,-0.1 -1,-0.3 -0.651 83.0 -90.0-114.5 166.0 48.2 8.3 30.8 41 43 A T E -c 63 0A 4 21,-0.2 57,-2.7 -2,-0.2 2,-0.5 -0.580 37.1-154.8 -65.8 134.4 48.8 8.8 34.5 42 44 A V E -cd 64 98A 0 21,-2.5 23,-2.7 -2,-0.3 2,-0.5 -0.984 7.5-163.9-116.9 120.3 49.9 12.4 35.4 43 45 A I E +cd 65 99A 0 55,-2.7 57,-2.8 -2,-0.5 58,-0.5 -0.895 16.6 167.5-107.1 129.9 51.9 12.7 38.5 44 46 A M E -c 66 0A 0 21,-2.7 23,-2.9 -2,-0.5 58,-0.3 -0.971 35.3-104.8-143.6 156.3 52.3 16.1 40.1 45 47 A G E > -c 67 0A 7 56,-2.4 4,-2.1 -2,-0.3 3,-0.3 -0.375 40.8-107.4 -73.8 156.5 53.5 17.9 43.3 46 48 A R H > S+ 0 0 64 21,-1.6 4,-2.1 1,-0.2 5,-0.2 0.878 118.3 51.3 -53.6 -42.1 51.0 19.3 45.7 47 49 A R H > S+ 0 0 160 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 107.5 52.5 -67.9 -37.2 51.7 22.9 44.8 48 50 A T H > S+ 0 0 32 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.908 106.5 54.7 -60.7 -45.2 51.2 22.2 41.1 49 51 A W H >< S+ 0 0 8 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.952 110.4 45.3 -49.1 -52.1 47.8 20.6 41.9 50 52 A E H 3< S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.737 105.5 62.1 -69.7 -22.9 46.8 23.8 43.7 51 53 A S H 3< S+ 0 0 49 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.738 86.0 89.9 -69.9 -26.8 48.1 26.0 40.8 52 54 A L S << S- 0 0 33 -4,-1.2 5,-0.1 -3,-0.9 -31,-0.0 -0.576 95.9-103.5 -70.9 132.3 45.6 24.3 38.5 53 55 A P >> - 0 0 81 0, 0.0 3,-1.8 0, 0.0 4,-0.7 -0.318 26.9-123.8 -53.6 137.6 42.3 26.2 38.3 54 56 A A T 34 S+ 0 0 71 1,-0.3 3,-0.3 2,-0.2 -2,-0.1 0.761 112.8 54.5 -56.8 -25.9 39.7 24.3 40.4 55 57 A K T 34 S+ 0 0 130 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.619 108.0 49.3 -85.1 -15.0 37.5 24.2 37.3 56 58 A V T <4 S+ 0 0 73 -3,-1.8 -1,-0.2 3,-0.0 -2,-0.2 0.470 94.1 127.3-101.4 -7.5 40.3 22.6 35.2 57 59 A R < + 0 0 74 -4,-0.7 2,-0.1 -3,-0.3 21,-0.1 -0.828 51.1 34.8-117.6 150.0 41.2 19.8 37.7 58 60 A P S S- 0 0 47 0, 0.0 20,-0.1 0, 0.0 5,-0.0 0.675 97.0-114.6 -65.5 159.7 41.6 16.9 37.7 59 61 A L > - 0 0 15 -2,-0.1 3,-1.0 1,-0.1 -2,-0.1 -0.499 38.6-116.5 -65.1 122.4 42.9 16.9 34.2 60 62 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.235 90.1 19.3 -66.4 151.7 40.3 14.9 32.1 61 63 A G T 3 S+ 0 0 57 1,-0.2 -22,-1.7 -23,-0.1 2,-0.3 0.614 109.5 89.9 70.1 15.0 41.1 11.6 30.4 62 64 A R S < S- 0 0 31 -3,-1.0 2,-0.8 -24,-0.2 -21,-0.2 -0.980 83.2-115.2-141.5 143.9 44.2 11.1 32.6 63 65 A R E -c 41 0A 142 -23,-0.9 -21,-2.5 -2,-0.3 2,-0.3 -0.759 38.1-144.3 -81.9 110.9 44.6 9.3 36.0 64 66 A N E -c 42 0A 5 -2,-0.8 15,-2.4 13,-0.5 2,-0.4 -0.635 19.8-176.9 -84.9 130.7 45.6 12.2 38.3 65 67 A V E -ce 43 79A 0 -23,-2.7 -21,-2.7 -2,-0.3 2,-0.5 -0.997 7.6-160.6-128.8 127.7 48.2 11.5 41.1 66 68 A V E -ce 44 80A 0 13,-2.8 15,-3.4 -2,-0.4 2,-0.5 -0.931 8.8-145.3-113.2 127.4 49.3 14.1 43.7 67 69 A V E +ce 45 81A 13 -23,-2.9 -21,-1.6 -2,-0.5 2,-0.3 -0.806 32.8 150.6 -96.2 123.6 52.5 13.8 45.7 68 70 A S - 0 0 12 13,-2.3 5,-0.1 -2,-0.5 -2,-0.0 -0.989 50.2-134.7-148.5 148.5 52.4 15.1 49.3 69 71 A R S S+ 0 0 218 -2,-0.3 13,-0.1 3,-0.0 3,-0.1 0.601 88.4 88.9 -75.4 -13.6 54.2 14.3 52.6 70 72 A R > - 0 0 109 1,-0.2 3,-1.5 11,-0.1 -2,-0.0 -0.784 62.3-163.1 -91.8 112.2 50.7 14.5 54.3 71 73 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.813 91.7 52.0 -63.5 -27.2 48.9 11.2 54.3 72 74 A D T 3 S+ 0 0 128 -3,-0.1 2,-0.1 2,-0.1 -3,-0.0 0.290 78.3 123.9 -93.3 9.8 45.6 13.0 55.0 73 75 A F < - 0 0 28 -3,-1.5 2,-0.5 -5,-0.1 7,-0.1 -0.469 51.3-145.9 -66.8 141.2 45.9 15.6 52.1 74 76 A V + 0 0 125 -2,-0.1 2,-0.5 5,-0.1 5,-0.1 -0.955 21.8 178.6-120.2 129.8 42.8 15.4 49.9 75 77 A A > - 0 0 7 -2,-0.5 3,-2.4 3,-0.4 2,-0.3 -0.937 31.8-130.5-127.6 102.6 42.7 16.1 46.1 76 78 A E T 3 S+ 0 0 176 -2,-0.5 3,-0.1 1,-0.3 -2,-0.0 -0.374 92.5 9.2 -64.0 117.2 39.2 15.6 44.8 77 79 A G T 3 S+ 0 0 46 1,-0.3 -13,-0.5 -2,-0.3 2,-0.3 0.607 117.0 90.0 88.5 14.1 39.3 13.3 41.7 78 80 A A S < S- 0 0 21 -3,-2.4 2,-0.5 -15,-0.1 -3,-0.4 -0.962 75.2-118.9-136.7 154.1 43.0 12.4 42.3 79 81 A R E -e 65 0A 133 -15,-2.4 -13,-2.8 -2,-0.3 2,-0.5 -0.820 29.1-138.2 -89.4 131.5 45.0 9.7 44.2 80 82 A V E -e 66 0A 33 -2,-0.5 2,-0.4 -15,-0.2 -13,-0.2 -0.809 20.0-164.7 -94.1 125.9 47.3 11.2 46.8 81 83 A A E -e 67 0A 1 -15,-3.4 -13,-2.3 -2,-0.5 -11,-0.1 -0.915 21.1-148.2-115.3 138.5 50.8 9.5 47.0 82 84 A G S S+ 0 0 60 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.1 0.440 82.0 5.8 -80.9 -2.4 53.3 9.8 49.8 83 85 A S S > S- 0 0 39 1,-0.1 4,-2.2 -14,-0.0 5,-0.1 -0.958 77.0-103.8-166.4 164.5 56.4 9.5 47.5 84 86 A L H > S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.832 123.7 58.6 -67.2 -31.6 57.3 9.4 43.8 85 87 A E H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.913 108.0 44.5 -59.5 -43.0 57.8 5.7 44.4 86 88 A A H > S+ 0 0 30 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.874 111.6 53.8 -71.0 -37.2 54.2 5.4 45.6 87 89 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.889 108.1 49.2 -61.0 -42.2 53.0 7.5 42.7 88 90 A L H >< S+ 0 0 37 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.851 107.5 54.9 -69.1 -34.5 54.7 5.3 40.2 89 91 A A H >< S+ 0 0 74 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.899 104.1 55.3 -60.5 -41.6 53.1 2.2 41.8 90 92 A Y H 3< S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.645 92.3 70.4 -67.6 -17.3 49.7 3.9 41.3 91 93 A A T X< S+ 0 0 4 -4,-0.6 3,-1.9 -3,-0.6 -1,-0.3 0.721 81.3 177.0 -72.4 -19.8 50.4 4.2 37.6 92 94 A G T < - 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