==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-DEC-11 3V2G . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR R.AGARWAL,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR . 252 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 13.5 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 . 1 0.4 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 . 14 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 1 0 1 0 0 0 0 1 2 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 4 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 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 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 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 20 A F >> 0 0 105 0, 0.0 4,-2.7 0, 0.0 3,-2.1 0.000 360.0 360.0 360.0 -81.8 69.1 45.8 -18.1 2 21 A Q H 3> + 0 0 145 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.842 360.0 60.2 -47.2 -36.2 70.6 46.1 -14.6 3 22 A S H 34 S+ 0 0 93 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.774 106.1 44.3 -59.6 -33.6 69.6 49.8 -15.2 4 23 A X H <4 S+ 0 0 131 -3,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.859 110.5 54.2 -81.5 -40.6 65.9 48.7 -15.5 5 24 A X H X S+ 0 0 120 -4,-2.7 4,-1.0 2,-0.3 -2,-0.2 0.711 103.8 53.9 -54.5 -33.4 66.3 46.4 -12.5 6 25 A T T < S+ 0 0 92 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.740 104.2 61.6 -61.5 -29.6 67.6 49.6 -10.7 7 26 A S T 4 S+ 0 0 32 -4,-0.3 228,-0.8 -5,-0.2 -2,-0.3 0.724 108.8 37.2 -64.8 -29.4 64.2 50.7 -12.1 8 27 A I T 4 S+ 0 0 73 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.644 96.0 112.0 -95.9 -20.7 62.3 48.1 -10.1 9 28 A S < - 0 0 45 -4,-1.0 27,-0.2 1,-0.1 26,-0.1 -0.256 37.9-179.9 -81.5 143.6 64.4 48.2 -6.9 10 29 A L > + 0 0 3 25,-3.5 3,-2.6 22,-0.2 28,-0.2 0.094 31.6 149.6-115.6 17.9 63.5 49.4 -3.4 11 30 A A T 3 S+ 0 0 67 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.283 71.9 18.6 -59.6 135.8 66.9 48.7 -1.7 12 31 A G T 3 S+ 0 0 74 24,-0.9 2,-0.4 1,-0.3 -1,-0.3 0.355 99.4 119.8 85.8 -9.3 67.6 51.1 1.1 13 32 A K < - 0 0 82 -3,-2.6 25,-2.6 23,-0.1 2,-0.5 -0.736 53.8-145.2 -92.3 141.2 63.8 52.1 1.4 14 33 A T E -a 38 0A 8 -2,-0.4 78,-2.7 23,-0.2 79,-2.1 -0.902 15.8-163.0-101.9 130.0 61.9 51.6 4.5 15 34 A A E -ab 39 93A 0 23,-3.2 25,-3.0 -2,-0.5 2,-0.4 -0.864 12.3-159.9-110.3 144.0 58.2 50.7 4.2 16 35 A F E -ab 40 94A 0 77,-2.6 79,-2.9 -2,-0.4 2,-0.5 -0.992 16.1-175.8-116.1 118.1 55.4 50.9 6.8 17 36 A V E > -ab 41 95A 0 23,-2.8 25,-1.8 -2,-0.4 3,-0.8 -0.947 12.1-153.9-119.9 110.5 52.4 48.6 5.9 18 37 A T E 3 S+ b 0 96A 5 77,-2.4 79,-0.5 -2,-0.5 81,-0.1 -0.604 85.5 26.5 -79.7 151.4 49.2 48.6 8.0 19 38 A G T > S+ 0 0 19 23,-0.3 3,-0.9 -2,-0.2 7,-0.4 0.755 78.7 146.0 65.9 29.8 47.2 45.4 7.8 20 39 A G T < + 0 0 0 22,-0.9 23,-0.1 -3,-0.8 10,-0.1 0.416 50.3 77.4 -76.6 5.3 50.4 43.4 7.0 21 40 A S T 3 S+ 0 0 23 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.715 102.5 10.2 -89.1 -19.7 49.4 40.3 8.8 22 41 A R S X> S- 0 0 116 -3,-0.9 4,-1.7 31,-0.0 3,-0.6 -0.935 101.9 -8.6-155.3 166.3 47.0 39.0 6.2 23 42 A G H 3> S- 0 0 11 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.023 120.1 -2.3 45.5-126.3 45.5 39.1 2.6 24 43 A I H 3> S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 133.8 54.3 -64.8 -47.1 46.5 42.1 0.6 25 44 A G H <> S+ 0 0 2 -3,-0.6 4,-2.8 72,-0.4 -5,-0.2 0.874 110.1 46.8 -53.3 -46.7 48.6 43.8 3.2 26 45 A A H X S+ 0 0 9 -4,-1.7 4,-2.5 -7,-0.4 -1,-0.2 0.897 112.0 51.1 -65.6 -40.0 50.8 40.6 3.8 27 46 A A H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.897 112.4 46.6 -66.4 -37.9 51.2 40.2 0.0 28 47 A I H X S+ 0 0 1 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.944 110.1 52.1 -65.4 -46.9 52.2 43.8 -0.3 29 48 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.938 113.6 46.4 -58.7 -41.8 54.7 43.6 2.7 30 49 A K H X S+ 0 0 62 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.859 112.4 47.1 -64.4 -41.4 56.3 40.6 1.0 31 50 A R H X S+ 0 0 81 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.883 111.8 51.0 -68.7 -41.1 56.5 42.0 -2.4 32 51 A L H <>S+ 0 0 1 -4,-3.2 5,-2.4 2,-0.2 -2,-0.2 0.908 112.7 46.7 -59.0 -40.7 58.0 45.3 -1.1 33 52 A A H ><5S+ 0 0 9 -4,-2.0 3,-2.2 -5,-0.2 -2,-0.2 0.917 107.1 58.3 -69.2 -42.1 60.6 43.2 0.9 34 53 A L H 3<5S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.883 105.4 50.0 -52.4 -43.2 61.3 41.1 -2.2 35 54 A E T 3<5S- 0 0 39 -4,-1.8 -25,-3.5 -5,-0.1 -24,-0.4 0.400 132.5 -90.5 -77.6 4.4 62.3 44.3 -4.1 36 55 A G T < 5S+ 0 0 36 -3,-2.2 -24,-0.9 1,-0.3 -3,-0.2 0.325 79.0 136.9 112.7 -8.3 64.6 45.4 -1.3 37 56 A A < - 0 0 2 -5,-2.4 2,-0.5 -26,-0.2 26,-0.5 -0.445 53.4-128.6 -71.6 143.7 62.5 47.5 1.1 38 57 A A E -a 14 0A 12 -25,-2.6 -23,-3.2 -28,-0.2 2,-0.5 -0.830 36.0-148.0 -85.2 130.5 62.9 47.0 4.8 39 58 A V E -ac 15 64A 0 24,-2.2 26,-2.0 -2,-0.5 2,-0.5 -0.903 25.6-171.5-117.4 121.5 59.3 46.5 6.0 40 59 A A E -ac 16 65A 0 -25,-3.0 -23,-2.8 -2,-0.5 2,-0.3 -0.940 20.1-174.6 -95.6 126.2 57.5 47.4 9.3 41 60 A L E -ac 17 66A 0 24,-2.2 26,-2.9 -2,-0.5 2,-0.3 -0.899 9.4-146.2-121.6 144.5 54.0 45.8 9.2 42 61 A T E - c 0 67A 1 -25,-1.8 -22,-0.9 -2,-0.3 -21,-0.5 -0.753 14.8-179.9-112.7 160.2 51.3 46.4 11.9 43 62 A Y E - c 0 68A 32 24,-1.3 26,-2.8 -2,-0.3 4,-0.1 -0.960 23.9-142.5-152.2 162.2 48.6 44.2 13.3 44 63 A V S S- 0 0 53 -2,-0.3 26,-0.1 24,-0.2 -1,-0.1 0.903 87.7 -27.7 -99.2 -56.3 45.9 44.7 16.0 45 64 A N S S+ 0 0 124 24,-0.1 2,-2.6 23,-0.1 3,-0.2 0.554 107.0 99.8-134.6 -15.4 45.8 41.3 17.8 46 65 A A > + 0 0 40 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.377 42.4 159.0 -73.9 63.1 46.9 38.6 15.2 47 66 A A H > + 0 0 41 -2,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.891 68.1 48.8 -55.2 -41.8 50.5 38.5 16.7 48 67 A E H > S+ 0 0 84 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 109.8 50.4 -70.6 -48.2 51.4 35.0 15.4 49 68 A R H > S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.894 111.6 49.3 -55.7 -41.8 50.2 35.6 11.8 50 69 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.895 110.3 50.1 -68.3 -45.6 52.3 38.9 11.7 51 70 A Q H X S+ 0 0 96 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.878 108.0 53.5 -57.4 -37.8 55.4 37.1 13.0 52 71 A A H X S+ 0 0 48 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.836 106.7 52.0 -72.1 -29.9 55.0 34.4 10.4 53 72 A V H X S+ 0 0 7 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.952 109.4 49.9 -67.0 -49.3 54.9 37.0 7.6 54 73 A V H X S+ 0 0 5 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.948 110.0 51.9 -49.3 -46.7 58.1 38.5 9.0 55 74 A S H X S+ 0 0 60 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.911 108.8 49.6 -60.6 -44.3 59.6 35.0 9.0 56 75 A E H X S+ 0 0 101 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.917 111.7 48.2 -59.0 -40.0 58.6 34.4 5.4 57 76 A I H <>S+ 0 0 6 -4,-2.3 5,-2.8 2,-0.2 -2,-0.2 0.930 112.8 48.7 -67.3 -45.0 60.2 37.8 4.4 58 77 A E H ><5S+ 0 0 103 -4,-3.0 3,-1.8 3,-0.2 -2,-0.2 0.924 108.5 54.4 -57.8 -40.2 63.4 36.9 6.4 59 78 A Q H 3<5S+ 0 0 171 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.813 105.4 52.3 -65.6 -33.1 63.6 33.4 4.7 60 79 A A T 3<5S- 0 0 69 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.304 130.2 -94.2 -86.7 8.0 63.5 35.0 1.3 61 80 A G T < 5S+ 0 0 69 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.561 84.6 118.1 101.5 5.4 66.4 37.3 2.2 62 81 A G < - 0 0 25 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.3 -0.360 58.2-117.9-103.3-177.6 64.6 40.4 3.4 63 82 A R + 0 0 143 -26,-0.5 -24,-2.2 -2,-0.1 2,-0.3 -0.956 40.0 150.0-121.6 134.3 64.3 42.5 6.5 64 83 A A E -c 39 0A 4 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.982 24.2-159.9-159.5 155.5 61.0 43.1 8.4 65 84 A V E -c 40 0A 51 -26,-2.0 -24,-2.2 -2,-0.3 2,-0.5 -0.985 16.0-138.7-136.9 145.1 59.5 43.8 11.9 66 85 A A E -c 41 0A 16 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.905 20.9-171.0-103.4 130.5 55.9 43.3 13.2 67 86 A I E -c 42 0A 20 -26,-2.9 -24,-1.3 -2,-0.5 2,-0.5 -0.984 21.8-128.9-124.9 133.6 54.6 46.1 15.5 68 87 A R E +c 43 0A 112 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.673 41.1 155.1 -79.7 126.1 51.3 45.9 17.4 69 88 A A - 0 0 2 -26,-2.8 2,-0.4 -2,-0.5 -24,-0.1 -0.787 36.9-140.8-158.5 105.4 49.1 49.0 16.7 70 89 A D > - 0 0 41 -2,-0.3 3,-1.7 -26,-0.1 7,-0.3 -0.562 13.0-144.0 -63.9 117.4 45.4 49.1 17.1 71 90 A N T 3 S+ 0 0 18 -2,-0.4 -1,-0.1 1,-0.2 56,-0.1 0.782 97.1 66.8 -60.5 -22.6 44.1 51.3 14.1 72 91 A R T 3 S+ 0 0 152 1,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.687 93.2 69.5 -66.2 -15.1 41.3 52.6 16.5 73 92 A D <> - 0 0 73 -3,-1.7 4,-1.8 1,-0.1 5,-0.2 -0.905 64.1-164.8-117.1 105.2 44.0 54.4 18.6 74 93 A A H > S+ 0 0 20 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.847 91.2 54.3 -57.2 -40.1 45.7 57.3 16.9 75 94 A E H > S+ 0 0 150 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 104.5 53.6 -65.7 -41.2 48.5 57.2 19.6 76 95 A A H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 110.2 48.2 -57.6 -40.6 49.3 53.6 18.9 77 96 A I H X S+ 0 0 2 -4,-1.8 4,-2.1 -7,-0.3 -2,-0.2 0.922 111.9 48.4 -65.7 -43.9 49.7 54.4 15.1 78 97 A E H X S+ 0 0 43 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.824 111.8 49.4 -69.3 -34.5 51.9 57.3 15.7 79 98 A Q H X S+ 0 0 84 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.890 108.5 53.8 -64.9 -45.6 54.1 55.3 18.2 80 99 A A H X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.923 110.1 48.2 -57.5 -43.8 54.3 52.4 15.7 81 100 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.916 110.7 49.3 -64.1 -42.3 55.6 54.9 13.1 82 101 A R H X S+ 0 0 119 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.879 111.6 51.0 -62.8 -39.4 58.1 56.4 15.5 83 102 A E H X S+ 0 0 83 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.791 108.0 51.6 -64.4 -34.5 59.3 53.0 16.3 84 103 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 6,-0.4 0.936 109.4 50.0 -71.6 -45.6 59.7 52.1 12.7 85 104 A V H X S+ 0 0 32 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.858 114.2 44.3 -59.7 -36.5 61.7 55.2 12.0 86 105 A E H < S+ 0 0 87 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.903 119.7 39.7 -80.2 -40.7 64.1 54.4 15.0 87 106 A A H < S+ 0 0 60 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.773 126.7 31.1 -78.0 -33.3 64.5 50.8 14.3 88 107 A L H < S- 0 0 14 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.417 107.9-111.2-112.9 -5.4 64.8 50.8 10.4 89 108 A G S < S- 0 0 71 -4,-1.1 2,-0.3 -5,-0.4 -4,-0.2 0.293 74.7 -19.0 103.6 -11.6 66.4 54.3 9.9 90 109 A G - 0 0 20 -6,-0.4 2,-0.3 -75,-0.0 -2,-0.2 -0.970 68.9 -98.6 165.4-164.8 63.7 56.5 8.2 91 110 A L + 0 0 2 44,-0.5 -76,-0.2 -2,-0.3 46,-0.2 -0.868 38.6 155.5-154.7 121.0 60.5 56.1 6.3 92 111 A D + 0 0 48 -78,-2.7 49,-2.1 -2,-0.3 2,-0.4 0.599 65.7 41.6-121.3 -24.5 60.1 56.2 2.6 93 112 A I E -bd 15 141A 1 -79,-2.1 -77,-2.6 47,-0.2 2,-0.5 -0.979 55.7-171.6-135.9 124.6 56.9 54.3 1.8 94 113 A L E -bd 16 142A 0 47,-3.0 49,-3.0 -2,-0.4 2,-0.5 -0.959 4.1-175.9-114.4 127.3 53.5 54.2 3.5 95 114 A V E -bd 17 143A 0 -79,-2.9 -77,-2.4 -2,-0.5 2,-0.8 -0.983 12.3-156.4-121.5 123.3 50.9 51.7 2.5 96 115 A N E +bd 18 144A 4 47,-1.9 49,-2.8 -2,-0.5 3,-0.1 -0.838 36.7 142.1 -95.8 105.2 47.5 51.9 4.2 97 116 A S + 0 0 15 -2,-0.8 -72,-0.4 -79,-0.5 -1,-0.1 -0.055 30.8 103.4-138.1 32.9 46.0 48.4 3.8 98 117 A A + 0 0 20 22,-0.2 -79,-0.2 47,-0.1 -1,-0.1 0.002 43.6 147.5-108.0 28.6 44.1 47.7 7.1 99 118 A G - 0 0 32 -81,-0.1 2,-0.4 46,-0.1 22,-0.1 -0.279 36.0-143.0 -58.2 151.2 40.5 48.1 5.9 100 119 A I - 0 0 67 17,-0.2 2,-0.1 61,-0.0 21,-0.1 -0.943 16.1-121.0-111.3 147.2 37.6 46.1 7.5 101 120 A W - 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