==== 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 17-AUG-06 2I3A . COMPND 2 MOLECULE: N-ACETYL-GAMMA-GLUTAMYL-PHOSPHATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.T.CHERNEY,M.M.CHERNEY,C.R.GAREN,F.MORAIDIN,M.N.G.JAMES, . 1381 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 999 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 0 0.0 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-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 122 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 184 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.2 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 13 6 1 0 6 3 1 3 9 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 8 8 4 0 0 4 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 . 7 4 0 0 0 2 3 7 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 0 0 8 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 9 A A 0 0 85 0, 0.0 2,-0.6 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 94.4 -24.3 -0.1 -55.2 2 10 A T E -a 32 0A 15 29,-2.6 31,-2.5 24,-0.1 2,-0.5 -0.640 360.0-161.6 -82.6 118.2 -22.8 0.2 -51.6 3 11 A K E -a 33 0A 79 -2,-0.6 72,-1.7 29,-0.2 71,-1.6 -0.901 8.8-160.4-104.2 130.8 -20.3 3.0 -51.3 4 12 A V E -ab 34 75A 0 29,-2.2 31,-3.6 -2,-0.5 2,-0.4 -0.899 9.4-163.1-114.9 128.0 -18.0 2.8 -48.3 5 13 A A E - b 0 76A 0 70,-2.1 72,-2.7 -2,-0.4 2,-0.5 -0.863 8.2-153.6-101.0 148.4 -16.0 5.5 -46.6 6 14 A V E > -ab 37 77A 0 30,-2.6 32,-2.7 -2,-0.4 3,-0.6 -0.965 6.4-161.9-118.7 111.7 -13.1 4.6 -44.2 7 15 A A E 3 S+ab 38 78A 0 70,-3.6 72,-3.3 -2,-0.5 32,-0.2 -0.840 82.4 25.8 -89.6 132.4 -12.4 7.3 -41.5 8 16 A G T > S+ 0 0 7 30,-2.6 3,-1.3 -2,-0.5 6,-0.5 0.823 76.8 163.6 83.1 39.3 -8.9 6.8 -40.0 9 17 A A T < + 0 0 0 29,-2.6 30,-0.2 -3,-0.6 9,-0.1 0.653 64.1 60.9 -65.4 -17.9 -7.8 5.1 -43.1 10 18 A S T 3 S+ 0 0 26 28,-0.4 -1,-0.3 4,-0.1 29,-0.1 0.563 87.2 84.9 -94.3 -9.6 -4.1 5.5 -42.2 11 19 A G S <> S- 0 0 23 -3,-1.3 4,-1.9 68,-0.2 5,-0.2 -0.279 94.2-100.1 -77.9 175.7 -4.1 3.5 -38.9 12 20 A Y H > S+ 0 0 12 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.862 120.6 50.7 -64.6 -40.3 -3.7 -0.3 -38.6 13 21 A A H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 111.6 46.7 -66.3 -42.0 -7.5 -0.9 -38.1 14 22 A G H > S+ 0 0 0 -6,-0.5 4,-2.6 65,-0.3 -2,-0.2 0.906 111.2 52.3 -68.5 -38.7 -8.5 1.2 -41.2 15 23 A G H X S+ 0 0 1 -4,-1.9 4,-2.3 -7,-0.2 -1,-0.2 0.828 110.8 48.4 -63.2 -30.5 -5.8 -0.5 -43.3 16 24 A E H X S+ 0 0 1 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.891 108.0 52.6 -80.2 -37.6 -7.2 -3.9 -42.3 17 25 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 3,-0.2 0.974 111.2 49.6 -52.6 -50.9 -10.7 -2.9 -43.1 18 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.913 107.7 52.7 -59.2 -46.9 -9.3 -1.9 -46.5 19 27 A R H X S+ 0 0 37 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.908 113.2 44.0 -50.0 -46.0 -7.5 -5.2 -47.0 20 28 A L H < S+ 0 0 11 -4,-2.2 4,-0.4 -3,-0.2 -2,-0.2 0.855 110.0 55.3 -74.9 -34.2 -10.7 -7.1 -46.2 21 29 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 -5,-0.2 6,-0.2 0.958 105.8 53.4 -61.7 -45.4 -12.8 -4.8 -48.5 22 30 A L H 3< S+ 0 0 25 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.784 113.8 40.6 -58.4 -32.5 -10.4 -5.6 -51.4 23 31 A G T 3< S+ 0 0 61 -4,-1.1 -1,-0.2 -5,-0.2 313,-0.2 0.374 89.6 115.9 -94.1 2.8 -10.8 -9.4 -51.1 24 32 A H S X> S- 0 0 1 -3,-1.3 4,-1.8 -4,-0.4 3,-0.8 -0.477 71.4-130.2 -73.3 140.6 -14.6 -9.2 -50.4 25 33 A P H 3> S+ 0 0 52 0, 0.0 4,-1.6 0, 0.0 6,-0.2 0.768 107.3 58.2 -62.3 -24.4 -16.8 -10.9 -53.1 26 34 A A H 34 S+ 0 0 7 2,-0.2 6,-3.6 1,-0.2 5,-0.5 0.659 104.3 50.0 -75.4 -23.9 -19.0 -7.7 -53.3 27 35 A Y H X4 S+ 0 0 78 -3,-0.8 3,-0.9 -6,-0.2 -1,-0.2 0.901 109.5 53.6 -77.8 -43.6 -16.0 -5.7 -54.2 28 36 A A H 3< S+ 0 0 89 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.842 116.0 36.1 -51.0 -43.7 -15.2 -8.3 -56.9 29 37 A D T 3< S- 0 0 110 -4,-1.6 -1,-0.2 0, 0.0 -2,-0.1 0.311 117.4-106.5-104.8 8.7 -18.6 -8.1 -58.6 30 38 A G S < S+ 0 0 43 -3,-0.9 -3,-0.2 2,-0.3 -4,-0.1 0.432 87.6 118.6 88.9 0.7 -19.1 -4.4 -58.1 31 39 A R S S+ 0 0 125 -5,-0.5 -29,-2.6 -6,-0.2 2,-0.4 0.761 78.4 46.1 -65.4 -22.4 -21.7 -4.5 -55.4 32 40 A L E -a 2 0A 2 -6,-3.6 2,-0.4 -31,-0.2 -2,-0.3 -0.981 66.0-176.7-129.0 128.6 -19.2 -2.6 -53.2 33 41 A R E -a 3 0A 119 -31,-2.5 -29,-2.2 -2,-0.4 2,-0.6 -0.920 24.9-128.4-120.0 147.2 -17.1 0.4 -54.0 34 42 A I E +a 4 0A 11 -2,-0.4 -29,-0.2 -31,-0.2 3,-0.1 -0.867 35.6 173.2-100.7 122.2 -14.5 2.0 -51.8 35 43 A G E + 0 0 19 -31,-3.6 -30,-0.2 -2,-0.6 -1,-0.1 0.380 43.2 7.0-103.6-131.4 -15.1 5.7 -51.5 36 44 A A E - 0 0 20 33,-0.2 -30,-2.6 -31,-0.1 2,-0.5 -0.233 54.0-160.2 -62.4 140.3 -13.5 8.4 -49.3 37 45 A L E -a 6 0A 2 24,-0.5 26,-3.0 -32,-0.2 2,-0.3 -0.991 19.8-171.8-120.8 119.4 -10.4 7.6 -47.2 38 46 A T E +ac 7 63A 0 -32,-2.7 -29,-2.6 -2,-0.5 -30,-2.6 -0.869 17.8 167.8-124.0 144.2 -9.8 10.0 -44.4 39 47 A A E - c 0 64A 5 24,-2.3 26,-0.8 -2,-0.3 4,-0.1 -0.958 35.6-124.5-142.5 169.9 -7.3 10.9 -41.7 40 48 A A S S+ 0 0 98 -2,-0.3 3,-0.3 24,-0.2 2,-0.2 0.918 94.6 29.1 -84.9 -48.3 -6.6 13.8 -39.3 41 49 A T S S+ 0 0 114 1,-0.2 24,-0.0 23,-0.1 -2,-0.0 -0.571 112.2 35.3 -99.9 172.6 -3.0 14.6 -40.2 42 50 A S > + 0 0 50 -2,-0.2 3,-1.7 1,-0.2 20,-0.3 0.730 65.0 171.2 57.2 30.1 -1.4 14.2 -43.6 43 51 A A T 3 + 0 0 47 -3,-0.3 20,-0.2 1,-0.2 -1,-0.2 -0.512 69.0 42.8 -59.3 139.8 -4.4 15.0 -45.8 44 52 A G T 3 S+ 0 0 56 18,-2.6 -1,-0.2 1,-0.4 19,-0.1 -0.069 88.5 110.9 102.7 -31.3 -2.9 15.2 -49.3 45 53 A S S < S- 0 0 21 -3,-1.7 17,-2.6 17,-0.1 -1,-0.4 -0.242 71.4-113.7 -63.2 161.9 -0.7 12.1 -49.0 46 54 A T B > -G 61 0B 43 15,-0.2 3,-1.3 -3,-0.1 4,-0.5 -0.639 21.8-116.3 -93.7 160.3 -1.5 9.0 -51.0 47 55 A L G >> S+ 0 0 0 13,-2.1 4,-3.1 10,-0.4 3,-1.3 0.823 109.7 72.9 -70.1 -29.1 -2.5 5.7 -49.2 48 56 A G G 34 S+ 0 0 4 10,-2.3 -1,-0.3 1,-0.3 10,-0.1 0.738 91.4 57.6 -49.0 -31.2 0.6 4.0 -50.5 49 57 A E G <4 S+ 0 0 117 -3,-1.3 -1,-0.3 9,-0.3 -2,-0.2 0.734 116.2 32.8 -79.1 -24.8 2.7 6.0 -48.0 50 58 A H T <4 S+ 0 0 33 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.786 132.4 26.5 -94.5 -37.2 0.7 4.7 -45.0 51 59 A H >< + 0 0 6 -4,-3.1 3,-1.4 1,-0.1 -1,-0.2 -0.677 58.2 173.3-133.9 82.2 -0.1 1.2 -46.3 52 60 A P T 3 S+ 0 0 22 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.630 79.2 64.2 -68.2 -12.1 2.3 -0.2 -48.8 53 61 A H T 3 S+ 0 0 6 1,-0.2 2,-1.7 634,-0.1 635,-0.8 0.785 87.6 72.0 -72.3 -26.5 0.6 -3.6 -48.7 54 62 A L X + 0 0 1 -3,-1.4 3,-2.1 1,-0.2 4,-0.2 -0.337 59.4 157.4 -89.9 56.2 -2.6 -2.1 -50.2 55 63 A T G > + 0 0 19 -2,-1.7 3,-1.4 631,-0.3 4,-0.3 0.791 64.2 63.2 -55.8 -35.4 -1.1 -1.6 -53.7 56 64 A P G 3 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.743 115.6 34.4 -59.8 -19.9 -4.5 -1.6 -55.5 57 65 A L G X S+ 0 0 1 -3,-2.1 3,-1.8 -6,-0.2 -10,-0.4 0.207 83.6 113.9-112.2 10.1 -5.3 1.6 -53.5 58 66 A A T < S+ 0 0 11 -3,-1.4 -10,-2.3 1,-0.3 -9,-0.3 0.768 76.6 51.8 -62.6 -28.1 -1.8 3.0 -53.4 59 67 A H T 3 S+ 0 0 129 -4,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.543 81.2 115.1 -84.3 -15.9 -2.8 6.1 -55.5 60 68 A R < - 0 0 70 -3,-1.8 -13,-2.1 -14,-0.1 2,-0.4 -0.312 65.8-127.8 -56.8 140.7 -5.8 7.1 -53.4 61 69 A V B -G 46 0B 66 -15,-0.2 2,-0.5 -14,-0.1 -24,-0.5 -0.796 16.0-127.1 -94.7 131.3 -5.5 10.5 -51.7 62 70 A V - 0 0 0 -17,-2.6 -18,-2.6 -2,-0.4 -24,-0.2 -0.713 28.9-157.0 -77.4 120.7 -6.2 10.6 -48.0 63 71 A E E -c 38 0A 84 -26,-3.0 -24,-2.3 -2,-0.5 2,-0.1 -0.522 27.0 -91.7 -94.2 159.9 -8.8 13.4 -47.4 64 72 A P E -c 39 0A 52 0, 0.0 2,-0.8 0, 0.0 -24,-0.2 -0.537 46.1-105.1 -71.7 147.9 -9.2 15.2 -44.1 65 73 A T + 0 0 41 -26,-0.8 2,-0.3 -2,-0.1 -58,-0.0 -0.690 59.9 150.8 -75.1 108.0 -11.8 13.6 -41.8 66 74 A E >> - 0 0 101 -2,-0.8 4,-1.8 1,-0.1 3,-0.6 -0.993 55.7-119.3-137.9 144.9 -14.9 15.8 -42.0 67 75 A A H 3> S+ 0 0 20 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.790 114.0 50.8 -48.0 -37.8 -18.6 15.0 -41.6 68 76 A A H 34 S+ 0 0 81 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.856 107.9 50.6 -74.6 -37.4 -19.4 16.2 -45.2 69 77 A V H <4 S+ 0 0 42 -3,-0.6 -33,-0.2 1,-0.2 -2,-0.2 0.804 113.3 45.8 -71.2 -31.3 -16.6 14.1 -46.8 70 78 A L H >< S+ 0 0 1 -4,-1.8 3,-0.6 -65,-0.1 -1,-0.2 0.684 100.1 91.8 -79.5 -21.9 -17.9 11.0 -45.0 71 79 A G T 3< + 0 0 23 -4,-1.0 3,-0.1 -5,-0.3 21,-0.1 -0.188 70.0 49.1 -60.2 162.5 -21.4 12.1 -46.1 72 80 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.614 88.9 104.5 77.8 13.3 -22.6 10.7 -49.4 73 81 A H < - 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0 0 61 -2,-0.3 3,-2.9 1,-0.2 -2,-0.1 -0.085 31.0-131.8 -48.0 127.4 -28.1 10.0 -42.0 94 102 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.522 112.0 58.6 -59.8 -1.0 -29.8 7.4 -39.7 95 103 A E T 3 S+ 0 0 136 2,-0.1 2,-0.3 48,-0.0 -2,-0.1 0.509 82.6 96.2-105.5 -12.0 -30.0 5.4 -42.9 96 104 A T S < S- 0 0 17 -3,-2.9 2,-0.6 -21,-0.0 -21,-0.2 -0.657 84.1-123.1 -70.2 128.7 -26.2 5.5 -43.4 97 105 A L E -d 75 0A 0 -23,-2.5 -21,-2.5 -2,-0.3 2,-0.5 -0.719 30.3-164.4 -69.5 114.4 -24.7 2.2 -41.9 98 106 A I E -de 76 144A 0 45,-2.6 47,-2.6 -2,-0.6 2,-0.6 -0.960 11.1-173.9-105.8 121.6 -22.2 3.4 -39.3 99 107 A I E -de 77 145A 0 -23,-2.3 -21,-2.3 -2,-0.5 2,-0.6 -0.950 11.0-164.3-111.0 103.5 -19.6 0.8 -38.0 100 108 A D E -de 78 146A 0 45,-3.1 47,-3.3 -2,-0.6 -21,-0.2 -0.842 17.0-172.6 -95.9 120.6 -17.6 2.4 -35.3 101 109 A C + 0 0 2 -23,-2.7 -22,-0.2 -2,-0.6 -1,-0.2 0.694 65.7 89.1 -77.4 -23.5 -14.4 0.6 -34.3 102 110 A G S S- 0 0 0 -24,-0.7 3,-0.2 -3,-0.1 45,-0.2 0.044 88.4-114.5 -65.1 176.4 -14.0 3.0 -31.4 103 111 A A S >> S+ 0 0 3 -20,-0.4 3,-1.9 -23,-0.3 4,-0.6 0.495 84.5 103.8 -90.2 -8.5 -15.4 2.6 -27.9 104 112 A D T 34 S+ 0 0 5 1,-0.3 18,-0.6 -21,-0.1 19,-0.3 0.826 93.5 28.0 -53.0 -37.6 -17.9 5.6 -28.0 105 113 A F T 34 S+ 0 0 13 -3,-0.2 20,-2.5 1,-0.1 -1,-0.3 0.174 99.3 88.8-112.3 17.5 -21.0 3.4 -28.4 106 114 A R T <4 S+ 0 0 10 -3,-1.9 2,-0.3 18,-0.2 -1,-0.1 0.890 71.6 70.4 -76.9 -44.2 -19.9 0.1 -26.7 107 115 A L < - 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