==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-AUG-04 1U7T . COMPND 2 MOLECULE: 3-HYDROXYACYL-COA DEHYDROGENASE TYPE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.R.KISSINGER,P.A.REJTO,L.A.PELLETIER,R.E.SHOWALTER, . 1020 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 761 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 66 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 360 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 5 0 0 0 5 3 0 4 4 4 2 6 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 10 8 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 7 A S 0 0 109 0, 0.0 27,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 151.8 53.0 13.7 30.1 2 8 A V > + 0 0 2 25,-0.2 3,-2.9 2,-0.1 26,-0.1 0.489 360.0 137.5 -85.4 -4.1 55.6 11.0 29.6 3 9 A K T 3 S+ 0 0 64 1,-0.3 26,-0.2 26,-0.1 25,-0.1 -0.161 74.1 6.6 -48.8 123.8 52.7 8.6 30.2 4 10 A G T 3 S+ 0 0 57 24,-2.0 -1,-0.3 1,-0.3 25,-0.2 0.280 95.7 135.9 85.6 -10.8 53.0 5.7 27.7 5 11 A L < - 0 0 47 -3,-2.9 25,-3.0 19,-0.1 2,-0.6 -0.409 49.2-137.3 -72.0 149.6 56.4 6.8 26.3 6 12 A V E -a 30 0A 5 23,-0.2 74,-2.8 -3,-0.1 75,-2.4 -0.930 22.7-173.0-108.0 116.2 59.1 4.2 25.8 7 13 A A E -ab 31 81A 2 23,-2.7 25,-2.6 -2,-0.6 2,-0.7 -0.913 17.9-155.2-115.9 128.9 62.6 5.2 26.8 8 14 A V E -ab 32 82A 1 73,-2.7 75,-2.2 -2,-0.5 2,-0.6 -0.888 19.2-168.4 -94.6 118.3 65.9 3.4 26.3 9 15 A I E > -ab 33 83A 0 23,-2.7 25,-2.3 -2,-0.7 3,-1.1 -0.914 7.3-154.0-114.2 107.1 68.3 4.5 29.0 10 16 A T E 3 S+ab 34 84A 0 73,-2.2 75,-1.2 -2,-0.6 25,-0.2 -0.563 86.7 25.4 -78.5 148.8 71.9 3.6 28.7 11 17 A G T > S+ 0 0 10 23,-2.4 3,-1.4 74,-0.3 7,-0.5 0.662 85.5 145.2 70.0 16.7 73.9 3.3 31.9 12 18 A G T < + 0 0 0 -3,-1.1 23,-0.1 22,-1.0 -2,-0.1 0.514 49.1 72.3 -69.0 -5.7 70.4 2.6 33.4 13 19 A A T 3 S+ 0 0 10 21,-0.2 2,-0.3 8,-0.0 -1,-0.3 0.640 104.6 27.5 -84.3 -10.2 71.6 0.1 36.0 14 20 A S S X> S- 0 0 51 -3,-1.4 4,-2.4 25,-0.0 3,-0.7 -0.931 103.4 -22.8-146.4 164.7 73.1 2.8 38.2 15 21 A G H 3> S+ 0 0 13 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.114 119.6 4.5 42.0-120.4 73.2 6.4 39.3 16 22 A L H 3> S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 133.9 50.1 -67.9 -40.2 71.7 9.0 37.0 17 23 A G H <> S+ 0 0 1 -3,-0.7 4,-2.2 -6,-0.4 -5,-0.3 0.921 111.7 48.9 -62.6 -44.0 70.4 6.5 34.4 18 24 A L H X S+ 0 0 21 -4,-2.4 4,-2.8 -7,-0.5 -1,-0.2 0.910 111.0 49.0 -61.6 -42.9 68.8 4.4 37.2 19 25 A A H X S+ 0 0 9 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.859 108.7 53.8 -67.4 -34.7 67.1 7.5 38.7 20 26 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.942 110.4 47.2 -62.3 -44.8 65.8 8.6 35.3 21 27 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.930 111.2 51.5 -61.1 -45.8 64.3 5.1 34.9 22 28 A E H X S+ 0 0 80 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.972 113.4 43.7 -57.5 -51.4 62.8 5.3 38.4 23 29 A R H X S+ 0 0 78 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.946 116.6 45.2 -60.6 -47.5 61.2 8.7 37.8 24 30 A L H ><>S+ 0 0 1 -4,-2.7 5,-2.7 2,-0.2 3,-0.7 0.952 114.7 46.3 -66.3 -47.7 59.9 7.9 34.3 25 31 A V H ><5S+ 0 0 19 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.931 113.1 53.0 -58.4 -39.8 58.5 4.4 35.2 26 32 A G H 3<5S+ 0 0 62 -4,-2.5 -1,-0.3 -5,-0.4 -2,-0.2 0.780 106.5 53.4 -62.2 -26.2 57.0 6.2 38.2 27 33 A Q T <<5S- 0 0 90 -4,-1.3 -1,-0.3 -3,-0.7 -25,-0.2 0.138 130.2 -91.3 -97.8 20.7 55.5 8.7 35.8 28 34 A G T < 5S+ 0 0 41 -3,-1.6 -24,-2.0 1,-0.3 -3,-0.2 0.479 87.3 123.4 89.4 3.1 53.8 6.1 33.7 29 35 A A < - 0 0 2 -5,-2.7 2,-0.4 -26,-0.2 -1,-0.3 -0.451 58.9-120.9 -90.1 168.3 56.5 5.5 31.1 30 36 A S E -a 6 0A 18 -25,-3.0 -23,-2.7 -2,-0.1 2,-0.4 -0.875 28.0-157.5-105.9 144.4 58.2 2.3 30.2 31 37 A A E -ac 7 52A 0 20,-3.0 22,-2.5 -2,-0.4 2,-0.5 -0.957 16.1-159.8-128.3 142.7 62.0 1.9 30.5 32 38 A V E -ac 8 53A 0 -25,-2.6 -23,-2.7 -2,-0.4 2,-1.1 -0.970 18.9-146.2-109.3 113.2 64.6 -0.3 29.0 33 39 A L E -ac 9 54A 0 20,-3.5 22,-2.2 -2,-0.5 2,-0.8 -0.699 14.9-166.9 -83.9 102.8 67.8 -0.3 31.2 34 40 A L E +ac 10 55A 1 -25,-2.3 -23,-2.4 -2,-1.1 -22,-1.0 -0.783 33.1 125.8 -91.6 114.1 70.6 -0.6 28.7 35 41 A D E - c 0 56A 28 20,-1.3 22,-2.3 -2,-0.8 23,-0.1 -0.965 60.5 -65.1-159.6 169.2 73.8 -1.5 30.6 36 42 A L > - 0 0 61 -2,-0.3 3,-1.1 20,-0.2 5,-0.4 -0.124 42.6-116.8 -63.5 155.4 76.6 -4.1 30.7 37 43 A P T 3 S+ 0 0 90 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.881 115.3 54.3 -58.7 -37.8 76.0 -7.7 31.6 38 44 A N T 3 S+ 0 0 137 2,-0.1 -2,-0.1 3,-0.1 2,-0.0 0.637 92.6 92.4 -78.0 -7.0 78.1 -7.5 34.7 39 45 A S S < S- 0 0 30 -3,-1.1 3,-0.4 1,-0.1 -4,-0.1 -0.312 91.0-112.1 -75.0 172.0 76.1 -4.5 35.9 40 46 A G S > S+ 0 0 44 1,-0.2 4,-2.3 -27,-0.1 5,-0.2 -0.047 74.7 126.0 -93.5 33.4 73.1 -5.2 38.2 41 47 A G H > + 0 0 0 -5,-0.4 4,-3.5 1,-0.2 5,-0.3 0.922 67.5 57.8 -55.6 -43.9 70.5 -4.1 35.5 42 48 A E H > S+ 0 0 114 -3,-0.4 4,-1.9 1,-0.3 -1,-0.2 0.929 110.2 42.7 -57.2 -47.0 68.6 -7.4 35.8 43 49 A A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.906 115.4 49.8 -64.9 -38.6 67.9 -6.9 39.5 44 50 A Q H X S+ 0 0 50 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.884 108.6 52.8 -70.6 -34.0 67.2 -3.2 39.0 45 51 A A H X S+ 0 0 4 -4,-3.5 4,-0.9 -5,-0.2 7,-0.2 0.873 109.4 49.5 -65.8 -36.7 64.7 -4.0 36.2 46 52 A K H >< S+ 0 0 69 -4,-1.9 3,-0.7 -5,-0.3 -2,-0.2 0.923 108.0 53.9 -67.3 -42.8 62.9 -6.5 38.4 47 53 A K H 3< S+ 0 0 156 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.843 104.8 54.9 -58.3 -33.6 62.6 -3.9 41.2 48 54 A L H 3< S- 0 0 39 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.732 105.8-132.8 -83.4 -16.8 61.0 -1.4 39.0 49 55 A G X< - 0 0 35 -4,-0.9 3,-1.3 -3,-0.7 -1,-0.2 -0.608 44.1 -28.8 110.7-165.0 58.2 -3.6 37.8 50 56 A N T 3 S+ 0 0 144 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.723 125.7 60.6 -64.8 -24.9 56.4 -4.7 34.6 51 57 A N T 3 S+ 0 0 80 -3,-0.3 -20,-3.0 -21,-0.1 2,-0.4 0.191 98.9 65.3 -95.5 20.0 57.1 -1.4 32.8 52 58 A C E < +c 31 0A 6 -3,-1.3 2,-0.3 -22,-0.2 -20,-0.2 -0.983 57.9 176.3-141.9 128.1 60.9 -1.8 33.0 53 59 A V E -c 32 0A 21 -22,-2.5 -20,-3.5 -2,-0.4 2,-0.5 -0.893 26.5-121.0-128.7 162.9 63.2 -4.4 31.4 54 60 A F E -c 33 0A 27 -2,-0.3 -20,-0.2 -22,-0.2 -22,-0.0 -0.880 19.0-171.5-104.0 127.9 67.0 -5.0 31.3 55 61 A A E -c 34 0A 0 -22,-2.2 -20,-1.3 -2,-0.5 2,-0.3 -0.942 20.4-139.7-116.5 108.4 68.8 -5.1 27.9 56 62 A P E +c 35 0A 65 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.471 43.3 136.5 -69.3 128.3 72.4 -6.3 28.3 57 63 A A - 0 0 3 -22,-2.3 2,-0.5 -2,-0.3 -2,-0.1 -0.910 51.7-132.6-173.4 145.0 74.7 -4.3 26.0 58 64 A D > - 0 0 55 -2,-0.3 3,-1.9 1,-0.1 7,-0.3 -0.918 23.2-144.9 -96.4 121.1 78.0 -2.5 25.6 59 65 A V T 3 S+ 0 0 8 -2,-0.5 62,-0.1 1,-0.3 63,-0.1 0.586 96.3 64.8 -69.6 -11.9 77.4 0.9 23.9 60 66 A T T 3 S+ 0 0 37 61,-0.1 2,-0.5 62,-0.0 -1,-0.3 0.509 90.7 83.6 -84.4 -1.0 80.7 0.7 22.0 61 67 A S <> - 0 0 32 -3,-1.9 4,-2.1 1,-0.2 5,-0.3 -0.889 63.4-157.4-109.9 123.3 79.4 -2.4 20.1 62 68 A E H > S+ 0 0 84 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.950 95.6 46.6 -56.6 -53.5 77.2 -2.1 17.0 63 69 A K H > S+ 0 0 53 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.912 110.6 52.4 -62.3 -42.1 75.7 -5.6 17.4 64 70 A D H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.940 111.6 45.1 -59.8 -46.0 74.9 -5.2 21.1 65 71 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -7,-0.3 5,-0.2 0.931 113.1 51.9 -66.5 -39.9 73.1 -1.9 20.6 66 72 A Q H X S+ 0 0 96 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.948 111.2 48.1 -56.1 -46.1 71.3 -3.4 17.7 67 73 A T H X S+ 0 0 92 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.925 112.0 48.8 -63.5 -41.6 70.3 -6.4 19.9 68 74 A A H X S+ 0 0 2 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.850 109.6 51.1 -68.9 -30.4 69.1 -4.1 22.7 69 75 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.927 109.9 49.6 -74.1 -38.0 67.0 -1.9 20.5 70 76 A A H X S+ 0 0 65 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.878 109.6 52.8 -62.2 -39.0 65.3 -5.0 19.0 71 77 A L H X S+ 0 0 67 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.943 109.9 49.1 -60.0 -45.2 64.7 -6.2 22.5 72 78 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.905 112.9 45.5 -65.0 -41.6 63.1 -2.8 23.3 73 79 A K H X S+ 0 0 30 -4,-2.7 4,-3.8 2,-0.2 -2,-0.2 0.987 113.6 48.4 -64.8 -55.5 60.8 -2.8 20.3 74 80 A G H < S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 119.1 40.7 -52.7 -36.6 59.7 -6.4 20.7 75 81 A K H < S+ 0 0 122 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.919 133.3 16.2 -83.7 -39.8 59.0 -5.8 24.4 76 82 A F H < S- 0 0 42 -4,-2.8 2,-0.2 -5,-0.2 -3,-0.2 0.516 95.9-119.9-119.2 -1.4 57.4 -2.4 24.3 77 83 A G S < S+ 0 0 61 -4,-3.8 2,-0.3 -5,-0.4 -4,-0.2 -0.199 78.6 7.4 98.5 -40.2 56.4 -1.8 20.7 78 84 A R - 0 0 100 -6,-0.3 2,-0.4 -2,-0.2 52,-0.1 -0.933 66.2-114.3-156.8 177.5 58.5 1.4 19.9 79 85 A V + 0 0 4 -2,-0.3 -72,-0.2 50,-0.2 54,-0.1 -0.998 31.1 162.3-124.7 124.3 61.2 3.8 21.2 80 86 A D + 0 0 21 -74,-2.8 63,-1.6 -2,-0.4 2,-0.4 0.652 66.6 32.0-110.4 -28.6 60.2 7.4 21.9 81 87 A V E -bd 7 143A 2 -75,-2.4 -73,-2.7 61,-0.2 2,-0.4 -0.990 55.5-169.2-136.2 140.9 63.1 8.5 24.1 82 88 A A E -bd 8 144A 0 61,-2.4 63,-3.0 -2,-0.4 2,-0.4 -1.000 4.7-173.6-129.3 135.4 66.8 7.8 24.4 83 89 A V E -bd 9 145A 0 -75,-2.2 -73,-2.2 -2,-0.4 2,-1.0 -0.988 13.6-150.5-126.9 117.2 68.9 8.9 27.2 84 90 A N E +bd 10 146A 2 61,-2.7 63,-0.7 -2,-0.4 -73,-0.1 -0.778 39.7 141.0 -92.5 102.8 72.7 8.3 27.1 85 91 A C + 0 0 23 -75,-1.2 -74,-0.3 -2,-1.0 -1,-0.2 0.573 31.2 116.1-113.7 -15.0 74.0 8.0 30.6 86 92 A A + 0 0 19 -3,-0.2 2,-0.3 -52,-0.1 61,-0.1 -0.312 44.0 135.4 -53.8 129.2 76.6 5.2 30.1 87 93 A G - 0 0 32 31,-0.0 2,-0.3 2,-0.0 24,-0.1 -0.974 40.1-143.2-172.2 157.2 80.0 6.7 30.9 88 94 A I - 0 0 62 -2,-0.3 2,-0.3 23,-0.2 27,-0.1 -0.904 11.3-145.4-130.5 160.7 83.3 6.2 32.6 89 95 A A + 0 0 53 -2,-0.3 2,-0.3 110,-0.1 70,-0.0 -0.915 14.5 176.0-122.2 148.8 85.7 8.4 34.5 90 96 A V - 0 0 39 -2,-0.3 2,-0.5 68,-0.1 72,-0.3 -0.981 18.4-150.1-144.1 152.2 89.5 8.5 34.9 91 97 A A + 0 0 88 -2,-0.3 2,-0.3 70,-0.1 68,-0.2 -0.969 38.4 139.3-120.7 115.7 91.8 10.9 36.6 92 98 A S - 0 0 32 66,-2.8 68,-0.5 -2,-0.5 69,-0.3 -0.916 45.6-125.2-158.9 125.7 95.2 11.1 35.0 93 99 A K - 0 0 90 -2,-0.3 10,-0.3 1,-0.1 3,-0.2 -0.427 21.0-126.1 -72.0 147.4 97.5 14.1 34.3 94 100 A T S S- 0 0 0 1,-0.3 9,-2.2 337,-0.2 2,-0.3 0.938 93.0 -15.3 -52.2 -49.4 98.7 14.7 30.7 95 101 A Y E -G 102 0B 31 7,-0.2 2,-0.5 337,-0.1 -1,-0.3 -0.955 59.1-158.8-156.6 140.3 102.2 14.7 32.1 96 102 A N E >> -G 101 0B 31 5,-3.1 5,-2.1 -2,-0.3 4,-1.3 -0.931 3.2-170.3-125.6 105.2 103.7 14.9 35.6 97 103 A L T 45S+ 0 0 60 -2,-0.5 3,-0.4 1,-0.2 -1,-0.2 0.937 87.0 47.5 -59.5 -50.8 107.4 16.0 35.6 98 104 A K T 45S+ 0 0 100 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.879 120.5 37.5 -63.0 -40.5 108.0 15.2 39.3 99 105 A K T 45S- 0 0 156 2,-0.1 -1,-0.3 0, 0.0 -2,-0.2 0.575 103.7-130.4 -85.1 -11.8 106.4 11.8 39.1 100 106 A G T <5 + 0 0 58 -4,-1.3 2,-0.4 -3,-0.4 -3,-0.2 0.944 56.9 147.3 60.4 46.7 107.8 11.1 35.7 101 107 A Q E < -G 96 0B 38 -5,-2.1 -5,-3.1 3,-0.0 2,-0.4 -0.963 32.9-168.6-126.0 134.3 104.4 10.0 34.5 102 108 A T E -G 95 0B 59 -2,-0.4 -7,-0.2 -7,-0.2 -8,-0.1 -0.956 35.1-105.8-116.4 131.4 102.8 10.4 31.1 103 109 A H - 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