==== 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 21-APR-03 1P45 . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.R.KUO,H.R.MORBIDONI,D.ALLAND,S.F.SNEDDON,B.B.GOURLIE,M.M.S . 536 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 1 0.2 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 . 27 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 0 1 2 6 0 0 0 3 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 2 4 0 2 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 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 2 A T 0 0 113 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -73.7 -21.1 -5.6 24.3 2 3 A G > - 0 0 50 1,-0.2 3,-1.6 2,-0.1 29,-0.0 0.270 360.0 -5.9 20.9-149.2 -19.4 -2.2 24.4 3 4 A L T 3 S+ 0 0 61 1,-0.3 244,-0.4 243,-0.0 -1,-0.2 0.332 121.5 20.0 -56.4 -43.6 -16.2 -0.9 23.3 4 5 A L T > + 0 0 0 27,-2.5 3,-2.3 -3,-0.4 -1,-0.3 0.367 68.2 156.0-113.8 10.4 -13.6 -3.2 22.0 5 6 A D T < S+ 0 0 92 -3,-1.6 28,-0.2 26,-0.5 27,-0.1 -0.084 78.5 10.0 -45.9 116.8 -15.7 -6.3 21.0 6 7 A G T 3 S+ 0 0 60 26,-0.8 2,-0.3 1,-0.3 -1,-0.3 0.352 95.9 129.9 108.5 -4.0 -13.6 -8.0 18.3 7 8 A K E < -a 33 0A 20 -3,-2.3 27,-2.3 25,-0.8 2,-0.5 -0.649 46.1-147.5-107.6 140.6 -10.4 -6.1 18.6 8 9 A R E -a 34 0A 62 -2,-0.3 81,-2.1 25,-0.2 80,-1.8 -0.933 26.3-178.8-106.2 133.6 -6.9 -7.5 18.9 9 10 A I E -ab 35 89A 2 25,-2.1 27,-1.6 -2,-0.5 2,-0.3 -0.980 25.9-147.9-143.8 121.4 -4.5 -5.4 21.0 10 11 A L E -ab 36 90A 0 79,-2.4 81,-1.2 -2,-0.4 2,-0.3 -0.660 18.9-170.5 -78.8 144.7 -1.0 -5.4 22.1 11 12 A V E -ab 37 91A 0 25,-1.0 27,-1.8 -2,-0.3 3,-0.3 -0.862 4.5-166.7-144.9 102.1 -0.3 -3.8 25.5 12 13 A S + 0 0 0 79,-2.6 27,-0.1 -2,-0.3 80,-0.0 -0.083 54.0 45.7 -59.8 172.7 3.2 -3.1 26.7 13 14 A G + 0 0 17 1,-0.2 8,-0.2 8,-0.1 9,-0.2 0.333 51.4 153.4 78.0 -3.8 4.6 -2.2 30.1 14 15 A I + 0 0 2 24,-0.8 26,-0.5 -3,-0.3 -1,-0.2 -0.437 10.8 142.9 -54.0 126.1 3.0 -4.4 32.7 15 16 A I + 0 0 57 1,-0.5 2,-0.3 24,-0.1 -1,-0.2 0.402 66.4 17.1-130.6 -23.7 5.6 -4.6 35.6 16 17 A T S > S- 0 0 21 33,-0.0 3,-0.7 30,-0.0 -1,-0.5 -0.896 78.7-104.7-143.4 170.9 3.2 -4.6 38.7 17 18 A D T 3 S+ 0 0 101 -2,-0.3 -3,-0.0 1,-0.2 178,-0.0 0.470 125.5 47.9 -72.0 -2.3 -0.4 -5.2 39.7 18 19 A S T 3 S+ 0 0 22 4,-0.1 -1,-0.2 5,-0.0 -4,-0.0 0.441 80.9 123.0-125.6 -17.1 -0.5 -1.4 40.0 19 20 A S S <> S- 0 0 14 -3,-0.7 4,-1.4 1,-0.1 5,-0.1 -0.169 70.6-123.3 -40.5 145.1 1.2 -0.5 36.7 20 21 A I H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.938 111.4 58.2 -71.5 -44.0 -0.9 1.7 34.5 21 22 A A H > S+ 0 0 0 72,-0.2 4,-3.1 -8,-0.2 -1,-0.2 0.870 100.8 57.5 -47.9 -40.8 -0.7 -0.8 31.7 22 23 A F H > S+ 0 0 13 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.974 105.5 46.5 -61.0 -51.3 -2.2 -3.4 33.9 23 24 A H H X S+ 0 0 38 -4,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.852 113.2 54.6 -62.0 -23.4 -5.3 -1.4 34.6 24 25 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.965 107.7 47.1 -67.9 -49.8 -5.3 -0.9 30.8 25 26 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.955 110.2 54.1 -57.9 -45.4 -5.2 -4.6 30.0 26 27 A R H X S+ 0 0 57 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.900 113.4 39.8 -52.4 -45.5 -8.0 -5.2 32.5 27 28 A V H X S+ 0 0 12 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.866 110.7 57.5 -80.3 -40.2 -10.4 -2.7 31.0 28 29 A A H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 5,-0.3 0.958 112.7 43.5 -46.9 -51.7 -9.5 -3.6 27.5 29 30 A Q H >< S+ 0 0 15 -4,-2.8 3,-2.2 1,-0.3 4,-0.5 0.915 107.2 55.3 -68.0 -41.5 -10.5 -7.2 28.4 30 31 A E H 3< S+ 0 0 107 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.613 107.2 56.4 -71.2 -3.5 -13.7 -6.4 30.2 31 32 A Q T << S- 0 0 56 -3,-1.2 -27,-2.5 -4,-0.7 -26,-0.5 0.166 128.1 -92.9-114.9 4.2 -14.7 -4.6 27.1 32 33 A G S < S+ 0 0 29 -3,-2.2 -25,-0.8 1,-0.3 -26,-0.8 0.950 75.5 138.6 98.7 59.2 -14.3 -7.5 24.8 33 34 A A E -a 7 0A 12 -4,-0.5 2,-0.4 -5,-0.3 -1,-0.3 -0.994 43.3-139.6-137.0 140.7 -10.8 -7.3 23.4 34 35 A Q E -a 8 0A 96 -27,-2.3 -25,-2.1 -2,-0.4 2,-0.3 -0.831 31.5-156.4-105.2 137.8 -8.4 -10.1 22.9 35 36 A L E -a 9 0A 2 -2,-0.4 2,-0.3 21,-0.3 -25,-0.2 -0.845 32.3-162.9-126.0 155.5 -4.8 -9.3 23.8 36 37 A V E -a 10 0A 0 -27,-1.6 -25,-1.0 -2,-0.3 2,-0.3 -0.927 30.6-158.7-114.1 145.6 -1.2 -9.9 23.4 37 38 A L E -ac 11 59A 0 21,-1.5 23,-2.0 -2,-0.3 2,-0.3 -0.892 5.2-153.7-125.4 145.1 1.0 -8.4 26.2 38 39 A T E + c 0 60A 2 -27,-1.8 -24,-0.8 -2,-0.3 2,-0.3 -0.849 13.9 172.5-122.7 166.2 4.5 -7.5 26.5 39 40 A G E - c 0 61A 3 21,-1.5 23,-1.3 -2,-0.3 2,-0.3 -0.981 22.4-120.4-157.5 168.8 7.0 -7.2 29.3 40 41 A F - 0 0 102 -26,-0.5 2,-2.1 -2,-0.3 6,-0.2 -0.857 62.8 -43.3-132.5 168.2 10.6 -6.6 30.1 41 42 A D S S+ 0 0 113 -2,-0.3 2,-1.3 1,-0.1 3,-0.2 -0.104 115.2 71.3 -39.3 -10.5 13.2 -8.6 32.0 42 43 A R > + 0 0 138 -2,-2.1 4,-2.2 1,-0.2 -1,-0.1 -0.565 65.3 162.9 -97.8 74.1 11.2 -10.0 35.1 43 44 A L H > + 0 0 42 -2,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.816 62.9 43.5 -75.5 -45.3 9.3 -12.3 33.0 44 45 A R H > S+ 0 0 190 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.868 111.7 59.9 -74.8 -27.1 7.7 -15.0 35.3 45 46 A L H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.978 103.1 50.7 -44.1 -59.5 6.9 -12.1 37.5 46 47 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.917 107.5 54.7 -52.0 -44.9 4.9 -10.7 34.6 47 48 A Q H X S+ 0 0 77 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.843 108.7 45.7 -62.8 -40.8 3.0 -14.1 34.2 48 49 A R H X S+ 0 0 151 -4,-2.0 4,-0.7 -3,-0.4 3,-0.4 0.934 115.4 49.4 -57.6 -46.7 1.8 -14.3 37.9 49 50 A I H >< S+ 0 0 20 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.933 113.0 45.0 -61.8 -43.7 0.7 -10.6 37.5 50 51 A T H >< S+ 0 0 4 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.635 94.3 76.9 -84.1 -13.5 -1.2 -11.1 34.3 51 52 A D H 3< S+ 0 0 102 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.856 87.7 63.9 -59.6 -30.1 -2.8 -14.3 35.6 52 53 A R T << S+ 0 0 168 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.442 79.3 104.5 -81.7 9.0 -5.2 -11.9 37.5 53 54 A L S < S- 0 0 7 -3,-1.4 -27,-0.1 1,-0.1 4,-0.0 -0.629 85.8-113.8 -79.2 144.6 -6.6 -10.5 34.3 54 55 A P S S+ 0 0 87 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.920 100.8 30.8 -38.6 -80.3 -10.1 -11.6 33.4 55 56 A A S S- 0 0 57 -29,-0.1 -2,-0.1 1,-0.1 -26,-0.1 -0.568 90.4-116.1 -74.1 144.4 -9.1 -13.6 30.2 56 57 A K - 0 0 185 -2,-0.2 -21,-0.3 -4,-0.1 -1,-0.1 -0.232 38.2-178.4 -54.3 164.7 -5.7 -15.3 29.8 57 58 A A - 0 0 17 -23,-0.1 -21,-0.2 -4,-0.0 -4,-0.1 -0.891 30.1 -97.1-162.4 151.6 -3.6 -13.8 27.0 58 59 A P - 0 0 56 0, 0.0 -21,-1.5 0, 0.0 2,-0.3 -0.390 34.4-149.8 -68.0 161.2 -0.2 -14.6 25.7 59 60 A L E -c 37 0A 20 -23,-0.2 2,-0.4 -2,-0.1 -21,-0.2 -0.999 9.5-166.9-140.4 131.7 3.0 -12.7 26.8 60 61 A L E -c 38 0A 24 -23,-2.0 -21,-1.5 -2,-0.3 13,-0.0 -0.910 27.1-111.3-124.5 140.3 6.3 -11.9 25.0 61 62 A E E +c 39 0A 105 -2,-0.4 -21,-0.2 -23,-0.2 2,-0.1 -0.320 42.3 165.6 -58.4 147.4 9.7 -10.7 26.0 62 63 A L + 0 0 4 -23,-1.3 2,-0.6 -24,-0.0 -2,-0.0 -0.434 15.4 173.3-174.7 93.8 10.4 -7.1 24.6 63 64 A D > - 0 0 44 3,-0.1 3,-1.0 1,-0.1 6,-0.2 -0.930 25.7-148.9 -99.4 123.1 13.2 -4.8 25.8 64 65 A V T 3 S+ 0 0 8 -2,-0.6 -1,-0.1 1,-0.2 64,-0.1 0.453 89.9 68.6 -83.9 -2.1 13.0 -1.9 23.4 65 66 A Q T 3 S+ 0 0 64 1,-0.0 2,-0.5 5,-0.0 -1,-0.2 0.660 89.8 76.9 -85.2 -15.8 16.9 -1.3 23.6 66 67 A N X> - 0 0 55 -3,-1.0 4,-1.1 1,-0.1 3,-0.6 -0.858 64.1-159.2-100.0 120.5 17.5 -4.6 21.7 67 68 A E H 3> S+ 0 0 135 -2,-0.5 4,-3.1 1,-0.2 5,-0.3 0.797 86.6 67.3 -71.2 -30.9 17.0 -4.8 17.9 68 69 A E H 3> S+ 0 0 166 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.715 106.5 43.5 -64.4 -19.8 16.6 -8.7 17.8 69 70 A H H <> S+ 0 0 25 -3,-0.6 4,-0.7 -6,-0.2 -1,-0.2 0.821 114.0 48.8 -84.3 -44.7 13.3 -8.4 19.7 70 71 A L H >X S+ 0 0 22 -4,-1.1 3,-1.0 2,-0.2 4,-0.6 0.964 115.8 44.7 -59.1 -57.0 12.1 -5.4 17.6 71 72 A A H 3< S+ 0 0 88 -4,-3.1 4,-0.4 1,-0.2 3,-0.3 0.869 118.9 44.4 -39.9 -46.4 13.0 -7.3 14.3 72 73 A S H 3X S+ 0 0 42 -4,-0.5 4,-1.9 -5,-0.3 -1,-0.2 0.517 93.1 85.0 -87.7 -8.4 11.4 -10.4 15.7 73 74 A L H S+ 0 0 49 -4,-0.4 4,-2.3 1,-0.2 -2,-0.3 0.952 112.5 39.8 -40.4 -57.9 6.9 -12.4 13.6 76 77 A R H X S+ 0 0 52 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.735 115.0 51.4 -73.5 -25.0 5.9 -13.4 17.2 77 78 A V H >X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 3,-0.5 0.989 110.1 46.8 -82.1 -53.8 2.8 -11.3 17.3 78 79 A T H >X S+ 0 0 41 -4,-2.5 4,-1.4 1,-0.2 3,-1.0 0.913 111.4 56.3 -38.0 -53.1 1.4 -12.7 14.1 79 80 A E H 3< S+ 0 0 165 -4,-2.3 -1,-0.2 -5,-0.4 3,-0.2 0.873 109.1 44.0 -55.2 -42.5 2.4 -16.2 15.5 80 81 A A H << S+ 0 0 43 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.526 121.5 37.9 -84.0 -9.3 0.3 -15.8 18.8 81 82 A I H << S- 0 0 16 -4,-1.3 -2,-0.2 -3,-1.0 -1,-0.2 0.376 121.1 -95.9-118.3 6.2 -2.8 -14.3 17.1 82 83 A G < - 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0 0 12 -2,-0.3 18,-0.1 24,-0.1 5,-0.1 -0.938 41.3-108.7-147.7 118.1 15.0 7.6 33.5 98 99 A P > - 0 0 17 0, 0.0 3,-2.3 0, 0.0 4,-0.1 -0.101 34.1-110.7 -48.4 158.0 18.0 6.8 35.7 99 100 A Q G > S+ 0 0 98 1,-0.3 3,-1.1 2,-0.2 6,-0.3 0.661 118.8 69.8 -74.6 -19.1 17.7 8.3 39.3 100 101 A T G 3 S+ 0 0 36 1,-0.2 -1,-0.3 4,-0.1 9,-0.1 0.728 95.6 54.9 -54.7 -28.9 20.3 10.6 38.4 101 102 A G G < S+ 0 0 0 -3,-2.3 58,-1.9 -4,-0.1 59,-0.4 0.501 111.5 46.8 -82.3 -5.0 17.7 12.2 36.1 102 103 A M S X S+ 0 0 37 -3,-1.1 3,-1.0 56,-0.2 55,-0.2 -0.689 86.3 11.6-145.4 179.5 15.2 12.7 38.8 103 104 A G T 3 S- 0 0 15 53,-0.9 53,-0.5 1,-0.2 55,-0.1 -0.244 115.4 -18.9 48.9-127.8 14.1 13.8 42.3 104 105 A I T 3 S+ 0 0 123 102,-0.1 -1,-0.2 51,-0.1 3,-0.1 0.588 100.2 117.9 -87.7 -20.6 16.5 15.9 44.4 105 106 A N S < S- 0 0 71 -3,-1.0 5,-0.1 -6,-0.3 51,-0.1 -0.278 82.6 -95.4 -48.1 125.3 19.6 14.9 42.3 106 107 A P > - 0 0 68 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.360 27.0-132.5 -53.4 131.3 20.9 18.1 40.8 107 108 A F G > S+ 0 0 5 1,-0.3 3,-1.1 2,-0.2 336,-0.1 0.827 102.2 51.8 -49.6 -50.4 19.7 18.8 37.3 108 109 A F G 3 S+ 0 0 23 1,-0.2 -1,-0.3 335,-0.0 292,-0.1 0.553 98.5 66.9 -69.5 -9.3 23.1 19.6 35.8 109 110 A D G < + 0 0 88 -3,-1.6 -1,-0.2 -9,-0.1 -2,-0.2 0.322 65.9 112.1 -99.1 6.1 24.8 16.5 37.1 110 111 A A S < S- 0 0 0 -3,-1.1 2,-0.1 -4,-0.2 -9,-0.1 -0.717 70.6-127.5 -77.0 124.1 23.0 13.8 35.0 111 112 A P >> - 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