==== 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-OCT-99 1D8A . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.W.LEVY,A.ROUJEINIKOVA,S.SEDELNIKOVA,P.J.BAKER,A.R.STUITJE, . 514 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 31 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 2 0 0 0 0 1 3 7 1 1 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 4 1 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 PARALLEL BRIDGES PER LADDER . 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 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 G > 0 0 61 0, 0.0 3,-1.3 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0-178.9 31.9 24.7 303.4 2 3 A F T 3 + 0 0 75 1,-0.2 232,-0.5 231,-0.0 233,-0.3 0.380 360.0 54.9 -78.7 6.9 30.2 27.8 304.8 3 4 A L T > S+ 0 0 0 27,-2.5 3,-1.4 24,-0.1 30,-0.3 0.326 76.2 134.0-115.6 0.7 28.1 25.6 307.0 4 5 A S T < S+ 0 0 75 -3,-1.3 28,-0.2 26,-0.6 3,-0.1 -0.292 70.6 25.2 -55.3 130.6 31.0 23.8 308.6 5 6 A G T 3 S+ 0 0 67 26,-0.8 2,-0.5 1,-0.3 -1,-0.3 0.615 95.1 123.3 88.6 14.8 30.6 23.6 312.4 6 7 A K < - 0 0 15 -3,-1.4 27,-2.5 25,-0.3 2,-0.7 -0.936 49.0-154.9-114.6 129.3 26.8 23.7 312.2 7 8 A R E +a 33 0A 87 -2,-0.5 78,-3.0 25,-0.2 2,-0.4 -0.885 25.6 179.3-100.4 112.0 24.4 21.1 313.7 8 9 A I E -a 34 0A 0 25,-2.8 27,-1.5 -2,-0.7 2,-0.4 -0.940 23.1-144.0-124.1 140.8 21.1 21.3 311.8 9 10 A L E -ab 35 87A 0 77,-1.6 79,-3.4 -2,-0.4 2,-0.5 -0.813 14.6-160.5 -98.4 134.5 17.9 19.4 312.0 10 11 A V E -ab 36 88A 0 25,-2.1 27,-1.4 -2,-0.4 3,-0.3 -0.956 8.3-175.3-123.0 118.3 15.9 18.6 308.9 11 12 A T + 0 0 1 77,-1.9 79,-0.1 -2,-0.5 27,-0.1 -0.721 57.5 42.6-105.3 158.3 12.3 17.7 308.9 12 13 A G + 0 0 30 25,-0.3 2,-1.0 -2,-0.3 8,-0.4 0.582 58.1 152.6 88.2 12.7 10.0 16.6 306.0 13 14 A V + 0 0 3 24,-0.6 -1,-0.2 -3,-0.3 34,-0.1 -0.652 9.7 143.3 -79.2 104.3 12.2 14.2 304.0 14 15 A A - 0 0 26 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.630 66.4 -4.9-112.8 -23.6 9.7 11.8 302.3 15 16 A S S > S- 0 0 28 -3,-0.2 3,-0.8 31,-0.1 -1,-0.3 -0.947 74.9 -94.3-159.1 174.3 11.3 11.2 299.0 16 17 A K T 3 S+ 0 0 92 -2,-0.3 -3,-0.0 1,-0.2 177,-0.0 0.604 125.5 58.7 -73.7 -8.8 14.3 12.1 296.8 17 18 A L T 3 S+ 0 0 79 4,-0.1 -1,-0.2 174,-0.0 5,-0.1 0.644 81.1 117.4 -89.8 -19.9 11.9 14.7 295.3 18 19 A S S X> S- 0 0 14 -3,-0.8 4,-1.4 1,-0.1 3,-0.6 -0.177 70.4-133.8 -52.3 138.0 11.3 16.3 298.6 19 20 A I H 3> S+ 0 0 35 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.854 109.0 60.0 -60.3 -33.5 12.4 19.9 298.9 20 21 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.836 97.9 56.2 -64.2 -35.1 14.0 18.9 302.2 21 22 A Y H <> S+ 0 0 13 -3,-0.6 4,-2.7 -6,-0.3 -1,-0.2 0.925 107.5 50.0 -63.2 -41.5 16.2 16.4 300.4 22 23 A G H X S+ 0 0 3 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.910 111.5 47.7 -61.7 -43.7 17.5 19.2 298.3 23 24 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.887 112.1 50.7 -65.3 -39.4 18.1 21.4 301.3 24 25 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.966 108.3 50.0 -63.0 -54.6 19.9 18.5 303.1 25 26 A Q H X S+ 0 0 83 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.928 113.5 47.3 -48.6 -52.5 22.2 17.7 300.1 26 27 A A H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.925 114.1 45.3 -56.7 -51.0 23.2 21.4 299.9 27 28 A M H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 -1,-0.2 0.886 113.9 50.0 -62.6 -40.3 23.8 21.7 303.6 28 29 A H H ><5S+ 0 0 76 -4,-3.3 3,-2.6 1,-0.2 -2,-0.2 0.971 109.8 49.9 -62.1 -52.5 25.8 18.5 303.8 29 30 A R H 3<5S+ 0 0 131 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.5 56.9 -51.9 -38.5 27.9 19.5 300.8 30 31 A E T 3<5S- 0 0 33 -4,-2.0 -27,-2.5 -5,-0.2 -26,-0.6 0.308 126.9 -98.0 -81.0 10.9 28.5 22.8 302.6 31 32 A G T < 5S+ 0 0 31 -3,-2.6 -26,-0.8 1,-0.2 -25,-0.3 0.490 70.6 149.0 91.0 5.7 29.9 21.0 305.7 32 33 A A < - 0 0 5 -5,-2.6 2,-0.4 -28,-0.2 -1,-0.2 -0.517 45.9-129.6 -78.4 139.1 26.9 20.9 308.0 33 34 A E E -a 7 0A 97 -27,-2.5 -25,-2.8 -30,-0.3 2,-0.3 -0.721 37.8-151.8 -83.5 127.9 26.4 18.1 310.5 34 35 A L E -a 8 0A 9 -2,-0.4 24,-0.4 20,-0.3 2,-0.3 -0.720 26.0-174.0-113.4 161.6 22.8 16.8 310.1 35 36 A A E -a 9 0A 0 -27,-1.5 -25,-2.1 -2,-0.3 2,-0.3 -0.953 16.8-154.7-139.9 151.7 19.9 15.1 311.9 36 37 A F E -ac 10 59A 1 22,-2.8 24,-2.3 -2,-0.3 2,-0.3 -0.937 7.1-161.1-133.6 157.7 16.7 13.9 310.4 37 38 A T E - c 0 60A 10 -27,-1.4 -24,-0.6 -2,-0.3 2,-0.4 -0.970 6.5-155.4-135.0 148.5 13.1 13.2 311.4 38 39 A Y E - c 0 61A 19 22,-1.8 24,-2.0 -2,-0.3 -24,-0.1 -0.985 17.9-135.5-128.1 136.8 10.4 11.1 309.8 39 40 A Q S S- 0 0 118 -2,-0.4 2,-0.2 22,-0.2 -1,-0.1 0.929 80.0 -14.7 -53.7 -53.9 6.7 11.6 310.3 40 41 A N S > S- 0 0 60 21,-0.1 3,-1.0 23,-0.0 4,-0.1 -0.737 78.2 -82.7-139.3-171.6 5.9 7.9 310.7 41 42 A D G >> S+ 0 0 125 1,-0.2 3,-2.0 -2,-0.2 4,-0.6 0.796 112.7 73.1 -67.8 -33.7 7.2 4.3 310.4 42 43 A K G 34 S+ 0 0 162 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.548 107.0 38.6 -66.7 1.1 6.3 4.1 306.7 43 44 A L G <> S+ 0 0 17 -3,-1.0 4,-2.3 2,-0.1 5,-0.3 0.308 86.4 98.3-129.4 5.4 9.3 6.4 306.1 44 45 A K H <> S+ 0 0 85 -3,-2.0 4,-2.1 2,-0.2 5,-0.2 0.985 88.8 41.6 -57.6 -60.2 11.7 5.1 308.6 45 46 A G H X S+ 0 0 38 -4,-0.6 4,-1.8 2,-0.2 3,-0.4 0.949 116.0 48.1 -51.8 -61.4 13.7 3.0 306.1 46 47 A R H >> S+ 0 0 97 1,-0.3 4,-2.0 2,-0.2 3,-0.9 0.934 115.8 43.2 -45.9 -59.7 13.7 5.6 303.3 47 48 A V H 3X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.3 -1,-0.3 0.784 109.4 59.4 -60.0 -29.0 14.8 8.4 305.6 48 49 A E H 3X S+ 0 0 86 -4,-2.1 4,-1.7 -3,-0.4 -1,-0.3 0.817 106.6 47.2 -70.9 -29.5 17.4 6.2 307.2 49 50 A E H S+ 0 0 0 -4,-2.0 5,-3.5 2,-0.2 -1,-0.2 0.934 109.7 49.1 -62.1 -47.6 20.7 10.0 306.3 52 53 A A H ><5S+ 0 0 68 -4,-1.7 3,-2.2 1,-0.2 -2,-0.2 0.937 110.7 50.9 -57.1 -47.4 23.3 7.3 305.9 53 54 A Q H 3<5S+ 0 0 110 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.868 110.9 49.5 -56.9 -38.7 24.1 8.7 302.5 54 55 A L T 3<5S- 0 0 15 -4,-2.0 -1,-0.3 -5,-0.2 -20,-0.3 0.197 122.5-109.0 -87.8 16.5 24.4 12.1 304.0 55 56 A G T < 5S+ 0 0 70 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.744 77.7 128.5 64.3 27.5 26.7 10.8 306.8 56 57 A S < + 0 0 10 -5,-3.5 -1,-0.2 -6,-0.1 -2,-0.2 -0.953 35.7 176.7-119.7 131.6 24.1 11.1 309.5 57 58 A D + 0 0 154 -2,-0.4 2,-1.0 -23,-0.2 -1,-0.1 0.304 58.1 102.5-108.9 7.7 23.0 8.4 312.0 58 59 A I + 0 0 21 -24,-0.4 -22,-2.8 -7,-0.1 2,-0.4 -0.793 42.4 149.9 -94.4 98.2 20.6 10.7 313.9 59 60 A V E +c 36 0A 23 -2,-1.0 2,-0.4 -24,-0.2 -22,-0.2 -0.992 17.0 176.6-132.8 122.2 17.1 9.8 312.6 60 61 A L E -c 37 0A 33 -24,-2.3 -22,-1.8 -2,-0.4 2,-0.2 -0.973 28.0-121.9-131.9 142.0 14.1 10.2 314.9 61 62 A Q E +c 38 0A 70 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.539 41.4 156.9 -74.0 144.5 10.4 9.7 314.5 62 63 A C - 0 0 11 -24,-2.0 2,-0.4 -2,-0.2 8,-0.1 -0.874 28.7-158.0-174.8 147.4 8.2 12.7 315.3 63 64 A D > - 0 0 48 3,-0.3 3,-1.9 -2,-0.3 7,-0.4 -0.991 9.4-157.6-133.9 112.2 4.9 14.0 314.5 64 65 A V T 3 S+ 0 0 11 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.665 90.5 75.5 -62.9 -21.7 4.1 17.7 314.8 65 66 A A T 3 S+ 0 0 41 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.719 99.4 51.5 -65.0 -17.3 0.4 16.8 315.2 66 67 A E <> - 0 0 123 -3,-1.9 4,-1.8 1,-0.2 -3,-0.3 -0.972 68.5-154.5-128.4 123.0 1.4 15.8 318.8 67 68 A D H >> S+ 0 0 71 -2,-0.4 4,-3.4 1,-0.2 3,-0.6 0.957 99.0 56.3 -52.7 -57.0 3.3 17.9 321.3 68 69 A A H 3> S+ 0 0 58 1,-0.3 4,-3.9 2,-0.2 5,-0.3 0.865 104.8 52.5 -43.6 -46.5 4.6 14.8 323.1 69 70 A S H 3> S+ 0 0 18 -6,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.921 113.2 44.3 -58.5 -43.2 6.1 13.5 319.8 70 71 A I H X S+ 0 0 81 -4,-3.9 4,-2.1 -5,-0.2 3,-0.6 0.916 109.7 53.9 -63.0 -45.2 10.2 13.2 322.9 73 74 A M H 3X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.930 110.1 45.7 -56.6 -48.7 12.1 13.8 319.7 74 75 A F H 3X S+ 0 0 10 -4,-2.0 4,-1.4 1,-0.2 -1,-0.3 0.666 108.2 62.3 -69.7 -13.3 14.0 16.8 321.1 75 76 A A H X S+ 0 0 78 -4,-2.1 3,-2.1 1,-0.2 4,-0.8 0.953 114.9 54.7 -64.1 -50.0 16.5 12.0 322.2 77 78 A L H >X S+ 0 0 0 -4,-2.5 4,-4.9 1,-0.3 3,-1.0 0.874 100.5 60.6 -51.0 -42.4 18.2 14.6 320.1 78 79 A G H 3< S+ 0 0 23 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.730 95.7 63.7 -59.3 -22.8 19.4 16.3 323.3 79 80 A K H << S+ 0 0 152 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.871 121.3 19.6 -69.9 -37.5 21.2 13.1 324.1 80 81 A V H << S+ 0 0 75 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.1 0.728 140.1 35.3 -98.7 -32.9 23.5 13.4 321.1 81 82 A W < + 0 0 10 -4,-4.9 -1,-0.2 -5,-0.3 3,-0.2 -0.828 53.9 166.3-127.8 93.4 22.9 17.1 320.7 82 83 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.667 85.1 19.5 -76.9 -13.1 22.4 19.1 323.9 83 84 A K S S+ 0 0 94 -3,-0.1 51,-0.2 -5,-0.0 2,-0.1 -0.850 73.2 160.6-160.7 118.6 22.9 22.2 321.7 84 85 A F B -g 134 0B 0 49,-0.7 51,-2.4 -2,-0.3 -76,-0.2 -0.375 42.0-105.2-121.5-161.0 22.5 22.7 317.9 85 86 A D - 0 0 17 -78,-3.0 54,-0.8 1,-0.4 2,-0.1 -0.342 69.9 -64.5-133.0 56.7 22.0 25.6 315.4 86 87 A G - 0 0 0 52,-0.2 -77,-1.6 44,-0.1 -1,-0.4 -0.292 47.4-115.4 95.9 178.2 18.4 25.5 314.1 87 88 A F E -b 9 0A 0 52,-0.4 54,-1.8 -79,-0.2 2,-0.5 -0.964 19.9-112.5-151.8 160.5 16.3 23.2 312.1 88 89 A V E -bd 10 141A 0 -79,-3.4 -77,-1.9 -2,-0.3 2,-0.8 -0.893 20.8-152.3-105.1 125.8 14.5 23.2 308.8 89 90 A H E + d 0 142A 1 52,-3.2 54,-1.4 -2,-0.5 2,-0.1 -0.840 28.6 157.4-101.0 102.1 10.7 23.2 308.8 90 91 A S + 0 0 28 -2,-0.8 2,-0.4 52,-0.2 -70,-0.1 -0.505 34.9 127.0-120.1 56.8 9.4 21.5 305.6 91 92 A I + 0 0 36 -2,-0.1 2,-0.3 28,-0.1 32,-0.1 -0.964 17.9 136.4-125.0 136.4 6.0 20.6 307.0 92 93 A G + 0 0 42 -2,-0.4 2,-0.3 30,-0.0 23,-0.1 -0.876 14.8 171.7-172.5 139.6 2.5 21.2 305.7 93 94 A F + 0 0 111 22,-0.4 26,-0.4 -2,-0.3 25,-0.2 -0.996 7.0 171.7-153.2 154.8 -0.8 19.2 305.3 94 95 A A - 0 0 8 -2,-0.3 5,-0.1 24,-0.1 18,-0.1 -0.928 45.4 -95.1-163.1 135.4 -4.4 19.6 304.4 95 96 A P > - 0 0 24 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.335 39.5-123.3 -55.8 128.2 -7.2 17.1 303.8 96 97 A G G > S+ 0 0 51 1,-0.3 3,-3.6 2,-0.2 104,-0.1 0.877 107.7 64.1 -38.6 -60.1 -7.4 16.5 300.1 97 98 A D G > S+ 0 0 102 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.794 98.0 60.1 -37.3 -36.3 -11.1 17.5 299.8 98 99 A Q G < S+ 0 0 1 -3,-2.1 59,-0.5 1,-0.2 -1,-0.3 0.749 98.4 57.7 -66.9 -27.8 -10.0 20.9 300.9 99 100 A L G < S+ 0 0 14 -3,-3.6 101,-1.3 -4,-0.5 2,-0.4 -0.020 93.0 78.8 -97.3 29.3 -7.6 21.4 297.9 100 101 A D S < S- 0 0 105 -3,-1.0 2,-0.1 2,-0.1 -1,-0.0 -0.955 88.3 -24.1-145.5 129.0 -10.1 21.0 295.1 101 102 A G S S+ 0 0 32 -2,-0.4 53,-0.4 4,-0.0 55,-0.1 -0.388 106.8 15.4 80.5-157.3 -12.6 23.2 293.5 102 103 A D > - 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