==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-NOV-10 3PPI . COMPND 2 MOLECULE: 3-HYDROXYACYL-COA DEHYDROGENASE TYPE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM AVIUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1023 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 765 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 156 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 8 0.8 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 . 65 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 2 0 0 0 2 0 10 5 4 3 2 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 8 8 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 PARALLEL BRIDGES PER LADDER . 4 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 4 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 0 125 0, 0.0 30,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 135.0 8.9 -36.3 -4.6 2 3 A I >> - 0 0 66 28,-0.8 3,-1.2 1,-0.1 4,-0.8 -0.358 360.0-114.6 -71.4 149.0 12.2 -36.1 -6.6 3 4 A K G >4 S+ 0 0 83 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.861 113.1 59.8 -54.8 -41.9 15.4 -36.7 -4.5 4 5 A Q G 34 S+ 0 0 70 1,-0.2 -1,-0.3 234,-0.1 -2,-0.0 0.862 110.9 42.4 -51.5 -37.6 16.7 -33.2 -5.1 5 6 A F G X4 S+ 0 0 0 -3,-1.2 3,-2.2 25,-0.2 -1,-0.2 0.525 78.0 126.8 -96.5 -6.0 13.6 -31.7 -3.4 6 7 A E T << S- 0 0 56 -3,-0.9 3,-0.1 -4,-0.8 26,-0.1 -0.299 90.5 -4.5 -58.5 124.0 13.1 -34.1 -0.4 7 8 A G T 3 S+ 0 0 64 24,-0.2 73,-2.6 1,-0.2 -1,-0.3 0.487 110.6 123.8 75.2 5.3 12.9 -32.0 2.8 8 9 A A E < -a 80 0A 3 -3,-2.2 25,-1.9 71,-0.3 2,-0.3 -0.537 43.7-157.5-104.3 161.4 13.6 -28.8 0.9 9 10 A S E -ab 81 33A 0 71,-2.3 73,-2.6 23,-0.2 74,-1.4 -0.903 4.1-158.9-132.4 164.6 11.9 -25.4 0.5 10 11 A A E -ab 83 34A 0 23,-2.3 25,-2.7 -2,-0.3 2,-0.4 -0.948 10.6-142.6-141.1 152.3 11.9 -22.6 -2.1 11 12 A I E -ab 84 35A 6 72,-1.6 74,-2.4 -2,-0.3 2,-0.6 -0.983 12.5-164.6-115.7 132.3 11.1 -18.9 -2.3 12 13 A V E > -ab 85 36A 0 23,-2.6 25,-2.2 -2,-0.4 3,-1.1 -0.960 10.5-148.8-117.2 113.0 9.5 -17.5 -5.5 13 14 A S E 3 S+ab 86 37A 2 72,-2.0 74,-1.1 -2,-0.6 25,-0.2 -0.551 90.8 23.1 -74.9 146.1 9.6 -13.7 -5.8 14 15 A G T > S+ 0 0 11 23,-1.7 3,-1.1 -2,-0.2 6,-0.4 0.751 85.4 147.8 63.5 27.3 6.6 -12.4 -7.8 15 16 A G T < + 0 0 0 -3,-1.1 9,-0.2 22,-1.0 23,-0.1 0.614 48.2 75.0 -72.1 -12.9 5.0 -15.7 -6.7 16 17 A A T 3 S+ 0 0 1 21,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.647 106.2 0.2 -78.4 -17.3 1.4 -14.3 -6.5 17 18 A G S X> S+ 0 0 24 -3,-1.1 4,-1.2 30,-0.0 3,-0.9 -0.977 102.7 7.2-158.7 171.7 0.8 -14.1 -10.3 18 19 A G H 3> S- 0 0 14 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.180 121.2 -3.3 60.0-131.8 2.0 -14.7 -13.8 19 20 A L H 3> S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 137.1 52.2 -63.4 -42.0 5.3 -16.4 -14.3 20 21 A G H <> S+ 0 0 1 -3,-0.9 4,-2.8 -6,-0.4 -5,-0.2 0.898 106.6 52.5 -63.1 -42.7 6.0 -16.6 -10.5 21 22 A E H X S+ 0 0 40 -4,-1.2 4,-2.8 -7,-0.4 5,-0.2 0.930 109.1 49.6 -58.3 -46.0 2.6 -18.2 -9.8 22 23 A A H X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.884 111.3 50.3 -63.0 -35.7 3.2 -21.0 -12.4 23 24 A T H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.947 110.0 49.7 -66.4 -47.6 6.6 -21.6 -10.8 24 25 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.944 111.7 48.2 -53.9 -51.6 5.1 -21.8 -7.3 25 26 A R H X S+ 0 0 76 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.903 115.0 46.0 -57.4 -44.6 2.4 -24.3 -8.6 26 27 A R H X S+ 0 0 81 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.932 114.4 44.9 -64.9 -50.8 5.1 -26.4 -10.3 27 28 A L H <>S+ 0 0 0 -4,-3.1 5,-2.2 2,-0.2 -2,-0.2 0.900 114.1 50.7 -65.2 -37.5 7.6 -26.5 -7.4 28 29 A H H ><5S+ 0 0 23 -4,-2.8 3,-1.6 -5,-0.3 -2,-0.2 0.934 110.2 49.0 -62.8 -47.7 4.8 -27.2 -4.9 29 30 A A H 3<5S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.816 105.7 59.6 -61.0 -30.8 3.5 -30.1 -7.1 30 31 A D T 3<5S- 0 0 39 -4,-1.8 -28,-0.8 -5,-0.1 -1,-0.3 0.430 128.3 -94.8 -79.9 -0.5 7.1 -31.4 -7.3 31 32 A G T < 5S+ 0 0 19 -3,-1.6 -24,-0.2 1,-0.3 2,-0.2 0.424 80.3 131.3 108.2 0.8 7.3 -31.8 -3.5 32 33 A L < - 0 0 0 -5,-2.2 2,-0.4 -26,-0.1 -1,-0.3 -0.569 58.2-124.2 -82.7 146.8 8.9 -28.5 -2.4 33 34 A G E -b 9 0A 4 -25,-1.9 -23,-2.3 -2,-0.2 2,-0.4 -0.750 40.2-156.2 -76.7 138.7 7.6 -26.3 0.4 34 35 A V E -bc 10 55A 0 20,-2.5 22,-2.3 -2,-0.4 2,-0.6 -0.979 20.3-152.6-131.7 133.7 7.2 -22.9 -1.2 35 36 A V E -bc 11 56A 0 -25,-2.7 -23,-2.6 -2,-0.4 2,-0.9 -0.917 15.3-146.2-100.5 122.6 7.1 -19.3 -0.0 36 37 A I E -bc 12 57A 0 20,-3.1 22,-2.8 -2,-0.6 2,-0.8 -0.840 18.9-167.4 -86.3 103.2 5.1 -17.0 -2.2 37 38 A A E +bc 13 58A 2 -25,-2.2 -23,-1.7 -2,-0.9 -22,-1.0 -0.868 32.9 120.4-100.7 105.5 7.1 -13.7 -1.9 38 39 A D E - c 0 59A 31 20,-1.5 22,-1.7 -2,-0.8 23,-0.1 -0.970 64.7-129.9-158.5 161.7 5.0 -10.9 -3.3 39 40 A L S S+ 0 0 106 -2,-0.3 2,-1.7 20,-0.2 20,-0.1 0.602 85.6 96.3 -91.9 -17.4 3.4 -7.5 -2.4 40 41 A A > + 0 0 45 1,-0.2 4,-2.5 20,-0.1 5,-0.2 -0.565 55.8 179.2 -73.5 86.4 0.0 -8.7 -4.0 41 42 A A H > S+ 0 0 52 -2,-1.7 4,-2.4 2,-0.2 5,-0.2 0.847 70.7 45.4 -63.9 -42.2 -1.5 -9.7 -0.6 42 43 A E H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 118.3 41.7 -71.6 -49.4 -5.0 -10.9 -1.8 43 44 A K H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.921 117.6 48.7 -60.3 -45.7 -3.7 -12.9 -4.8 44 45 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.900 113.0 45.4 -62.4 -45.2 -0.8 -14.3 -2.8 45 46 A K H X S+ 0 0 35 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.897 112.6 52.6 -65.7 -42.5 -2.9 -15.4 0.2 46 47 A A H X S+ 0 0 56 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.907 111.0 46.5 -58.1 -45.6 -5.5 -16.9 -2.1 47 48 A L H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.916 112.6 49.3 -65.5 -43.8 -2.8 -18.9 -3.9 48 49 A A H X S+ 0 0 6 -4,-2.4 4,-1.5 2,-0.2 7,-0.3 0.895 113.3 47.3 -61.8 -40.6 -1.2 -20.1 -0.6 49 50 A D H < S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.926 110.3 52.3 -66.3 -45.8 -4.7 -21.1 0.7 50 51 A E H < S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.6 45.2 -56.6 -40.6 -5.6 -23.0 -2.5 51 52 A L H < S- 0 0 34 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.744 105.2-141.4 -82.1 -24.1 -2.3 -25.0 -2.4 52 53 A G >< - 0 0 32 -4,-1.5 3,-1.7 -3,-0.2 -1,-0.2 -0.553 46.9 -19.8 99.1-159.3 -2.5 -25.9 1.4 53 54 A N T 3 S+ 0 0 139 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.1 0.509 124.2 60.3 -75.9 -7.9 -0.0 -26.2 4.2 54 55 A R T 3 S+ 0 0 92 -3,-0.3 -20,-2.5 -6,-0.1 2,-0.4 0.285 100.1 68.2 -96.0 8.4 3.2 -26.6 2.2 55 56 A A E < -c 34 0A 2 -3,-1.7 2,-0.4 -7,-0.3 -20,-0.2 -0.995 62.8-180.0-130.2 126.4 2.6 -23.1 0.6 56 57 A E E -c 35 0A 91 -22,-2.3 -20,-3.1 -2,-0.4 2,-0.5 -0.987 21.7-137.4-129.0 136.7 2.8 -19.8 2.5 57 58 A F E -c 36 0A 42 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.775 21.2-178.1 -86.5 125.7 2.3 -16.2 1.4 58 59 A V E -c 37 0A 28 -22,-2.8 -20,-1.5 -2,-0.5 2,-0.5 -0.988 30.1-125.9-122.8 124.1 4.8 -13.7 2.8 59 60 A S E -c 38 0A 66 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.543 42.8-178.6 -66.0 114.7 4.4 -10.1 1.9 60 61 A T - 0 0 8 -22,-1.7 2,-0.7 -2,-0.5 -46,-0.2 -0.973 32.4-164.8-133.9 122.1 7.8 -9.2 0.5 61 62 A N > - 0 0 65 -2,-0.4 3,-2.2 3,-0.1 7,-0.3 -0.924 20.4-150.1 -95.7 112.9 9.4 -6.1 -0.9 62 63 A V T 3 S+ 0 0 10 -2,-0.7 -1,-0.1 1,-0.3 62,-0.1 0.678 93.2 57.2 -64.1 -19.6 12.4 -7.4 -2.7 63 64 A T T 3 S+ 0 0 72 60,-0.1 2,-0.6 59,-0.0 -1,-0.3 0.452 91.9 84.8 -87.2 -2.8 14.4 -4.2 -2.1 64 65 A S <> - 0 0 39 -3,-2.2 4,-2.2 1,-0.2 5,-0.2 -0.894 62.2-158.8-105.7 119.4 14.0 -4.5 1.7 65 66 A E H > S+ 0 0 84 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.936 95.0 52.0 -56.2 -48.9 16.4 -6.7 3.7 66 67 A D H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.883 110.2 48.4 -53.5 -45.9 14.0 -7.0 6.6 67 68 A S H > S+ 0 0 23 -6,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.892 113.5 45.2 -68.1 -42.4 11.2 -8.2 4.3 68 69 A V H X S+ 0 0 3 -4,-2.2 4,-2.2 -7,-0.3 -2,-0.2 0.896 109.2 56.5 -68.1 -39.3 13.3 -10.8 2.5 69 70 A L H X S+ 0 0 69 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.865 106.2 51.7 -59.9 -35.7 14.8 -12.0 5.8 70 71 A A H X S+ 0 0 51 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.863 107.2 51.9 -67.0 -38.5 11.2 -12.7 6.9 71 72 A A H X S+ 0 0 2 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.889 109.3 51.5 -64.4 -36.8 10.5 -14.7 3.7 72 73 A I H X S+ 0 0 6 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.896 108.3 49.9 -65.6 -42.3 13.7 -16.7 4.4 73 74 A E H < S+ 0 0 128 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.900 111.4 50.0 -64.7 -40.2 12.6 -17.5 8.0 74 75 A A H >X S+ 0 0 25 -4,-2.0 3,-1.6 1,-0.2 4,-0.5 0.942 109.3 50.8 -62.6 -47.7 9.1 -18.6 6.7 75 76 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.868 104.3 58.4 -55.8 -39.1 10.7 -20.9 4.0 76 77 A N T 3< S+ 0 0 49 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.514 100.0 57.3 -75.9 -4.7 12.9 -22.5 6.7 77 78 A Q T <4 S+ 0 0 163 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.536 105.0 53.0 -89.3 -14.3 9.7 -23.6 8.6 78 79 A L S << S- 0 0 41 -3,-1.3 2,-0.3 -4,-0.5 -2,-0.2 0.342 132.5 -60.9 -99.8 4.1 8.6 -25.4 5.5 79 80 A G S S- 0 0 27 -4,-0.2 2,-0.6 -47,-0.1 -1,-0.4 -0.897 85.1 -38.8 141.3-171.3 11.8 -27.5 5.1 80 81 A R E -a 8 0A 71 -73,-2.6 -71,-2.3 -2,-0.3 2,-0.4 -0.809 64.4-119.9 -88.8 123.6 15.4 -26.5 4.5 81 82 A L E +a 9 0A 0 -2,-0.6 -71,-0.2 -73,-0.2 54,-0.1 -0.480 54.3 145.7 -61.8 118.2 15.6 -23.5 2.1 82 83 A R E + 0 0 25 -73,-2.6 63,-1.9 -2,-0.4 2,-0.3 0.506 54.3 44.0-127.3 -10.8 17.7 -24.7 -0.8 83 84 A Y E -ad 10 145A 0 -74,-1.4 -72,-1.6 61,-0.2 2,-0.3 -0.971 47.8-178.9-142.8 146.1 16.1 -22.9 -3.9 84 85 A A E -ad 11 146A 2 61,-1.3 63,-2.1 -2,-0.3 2,-0.5 -0.993 11.2-161.4-142.9 144.4 14.8 -19.5 -5.1 85 86 A V E -ad 12 147A 1 -74,-2.4 -72,-2.0 -2,-0.3 2,-1.1 -0.990 13.7-152.9-120.7 117.7 13.3 -18.3 -8.3 86 87 A V E +ad 13 148A 3 61,-3.0 63,-0.7 -2,-0.5 -72,-0.1 -0.770 37.6 146.8 -94.1 95.1 13.5 -14.5 -8.6 87 88 A A + 0 0 7 -74,-1.1 -67,-0.4 -2,-1.1 -68,-0.2 0.136 4.7 145.7-126.1 18.5 10.5 -13.9 -10.9 88 89 A H - 0 0 21 28,-0.1 -74,-0.1 1,-0.1 61,-0.1 -0.438 32.9-179.5 -61.6 131.3 9.0 -10.5 -9.9 89 90 A G + 0 0 52 -2,-0.1 2,-0.2 -75,-0.1 -1,-0.1 -0.109 25.5 110.3-119.6-153.4 7.8 -9.0 -13.2 90 91 A G - 0 0 37 -2,-0.1 2,-0.3 2,-0.0 112,-0.0 -0.521 64.7 -58.7 103.4-176.4 6.0 -6.0 -14.8 91 92 A F - 0 0 104 -2,-0.2 2,-0.1 1,-0.1 3,-0.1 -0.692 40.2-125.3-100.2 154.5 7.3 -3.3 -17.2 92 93 A G - 0 0 11 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.244 54.8 -66.3 -76.8 178.5 10.1 -0.7 -16.8 93 94 A V - 0 0 43 16,-0.4 2,-0.9 -2,-0.1 70,-0.4 -0.562 49.6-131.9 -69.5 131.6 9.3 3.0 -17.3 94 95 A A + 0 0 80 -2,-0.3 2,-0.3 69,-0.1 67,-0.2 -0.808 55.7 121.5 -88.6 105.0 8.4 3.7 -21.0 95 96 A Q - 0 0 19 65,-1.9 67,-0.5 -2,-0.9 68,-0.3 -0.924 56.3-120.6-163.9 139.5 10.5 6.8 -22.1 96 97 A R - 0 0 79 -2,-0.3 3,-0.2 1,-0.1 599,-0.1 -0.489 29.3-117.9 -76.7 152.3 13.0 7.6 -24.8 97 98 A I S S+ 0 0 2 1,-0.3 8,-2.3 -2,-0.1 2,-0.5 0.906 115.1 26.1 -56.1 -45.0 16.5 8.7 -23.9 98 99 A V B S-G 104 0B 20 6,-0.2 -1,-0.3 600,-0.1 5,-0.1 -0.991 96.6-144.1-118.1 120.5 15.6 11.9 -25.7 99 100 A Q > - 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