==== 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 01-MAR-04 1SIR . COMPND 2 MOLECULE: GLUTARYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WANG,Z.FU,R.PASCHKE,S.L.GOODMAN,F.E.FRERMAN,J.J.KIM . 390 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.8 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 1 0 2 0 2 2 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 4 0 0 1 0 1 0 1 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 . 2 0 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 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 3 A E 0 0 253 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 11.5 -15.4 28.5 -1.4 2 4 A F - 0 0 148 6,-0.0 2,-0.6 3,-0.0 6,-0.1 -0.822 360.0-163.7 -98.2 130.5 -16.2 31.3 -3.8 3 5 A D > - 0 0 81 -2,-0.5 3,-1.9 3,-0.3 6,-0.2 -0.948 9.8-160.2-115.4 111.2 -13.3 33.4 -5.0 4 6 A W T 3 S+ 0 0 61 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.721 91.4 64.3 -65.0 -18.0 -14.4 36.8 -6.6 5 7 A Q T 3 S+ 0 0 112 1,-0.3 -1,-0.3 2,-0.1 259,-0.0 0.615 124.2 14.4 -79.6 -10.0 -11.0 37.0 -8.3 6 8 A D S X S+ 0 0 25 -3,-1.9 3,-2.2 1,-0.1 -3,-0.3 -0.339 72.9 175.8-161.4 66.4 -11.9 33.9 -10.3 7 9 A P T 3 S+ 0 0 27 0, 0.0 -4,-0.2 0, 0.0 -2,-0.1 0.859 85.4 31.8 -40.0 -56.7 -15.7 33.1 -10.0 8 10 A L T 3 S- 0 0 106 -4,-0.1 -4,-0.1 -6,-0.1 -6,-0.0 0.050 114.5-108.9 -98.1 25.3 -15.8 30.2 -12.4 9 11 A V < + 0 0 60 -3,-2.2 3,-0.1 -6,-0.2 -3,-0.1 0.953 45.8 174.4 49.1 68.3 -12.3 28.9 -11.7 10 12 A L > + 0 0 4 1,-0.2 3,-2.4 2,-0.1 4,-0.3 0.936 69.8 72.5 -65.7 -44.0 -10.5 29.8 -14.9 11 13 A E G > S+ 0 0 69 1,-0.3 3,-2.7 2,-0.2 -1,-0.2 0.822 87.9 56.9 -36.1 -57.1 -7.2 28.7 -13.3 12 14 A E G 3 S+ 0 0 162 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.331 101.1 61.7 -66.8 13.6 -8.0 25.0 -13.5 13 15 A Q G < S+ 0 0 105 -3,-2.4 2,-0.4 2,-0.1 -1,-0.3 0.403 89.2 86.5-114.3 -3.9 -8.5 25.4 -17.2 14 16 A L S < S- 0 0 16 -3,-2.7 2,-0.1 -4,-0.3 291,-0.0 -0.783 77.1-124.3-101.8 141.2 -4.9 26.5 -17.8 15 17 A T > - 0 0 57 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.359 32.1-105.8 -75.4 161.9 -2.0 24.2 -18.4 16 18 A T H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.861 121.6 51.5 -57.2 -36.9 1.1 24.5 -16.2 17 19 A D H > S+ 0 0 107 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.981 109.3 49.1 -63.8 -55.8 3.0 26.2 -19.0 18 20 A E H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.920 113.1 47.5 -48.2 -51.3 0.3 28.8 -19.6 19 21 A I H X S+ 0 0 37 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.883 111.8 50.3 -60.4 -39.5 0.1 29.5 -15.9 20 22 A L H X S+ 0 0 114 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.939 110.8 49.1 -63.5 -48.4 3.8 29.9 -15.6 21 23 A I H X S+ 0 0 41 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.916 112.0 48.7 -57.0 -47.7 4.0 32.2 -18.6 22 24 A R H X S+ 0 0 13 -4,-2.5 4,-3.3 -5,-0.2 5,-0.2 0.977 113.5 45.5 -58.6 -56.6 1.2 34.4 -17.2 23 25 A D H X S+ 0 0 65 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.865 112.8 51.5 -56.0 -39.2 2.8 34.6 -13.7 24 26 A T H X S+ 0 0 79 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.955 114.8 41.8 -63.3 -50.1 6.2 35.3 -15.2 25 27 A F H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 3,-0.5 0.928 107.9 59.4 -64.0 -47.4 4.9 38.1 -17.4 26 28 A R H X S+ 0 0 88 -4,-3.3 4,-2.3 1,-0.3 -1,-0.2 0.863 103.6 54.4 -49.6 -38.8 2.7 39.6 -14.7 27 29 A T H X S+ 0 0 71 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.3 0.910 109.7 45.6 -62.6 -43.8 5.8 40.1 -12.6 28 30 A Y H X>S+ 0 0 22 -4,-1.3 4,-3.3 -3,-0.5 5,-1.0 0.951 112.6 50.6 -63.9 -49.9 7.5 42.0 -15.3 29 31 A C H <>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 4,-0.4 0.854 115.2 42.5 -56.8 -40.7 4.4 44.2 -16.0 30 32 A Q H <5S+ 0 0 86 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.804 122.3 37.2 -79.0 -30.6 4.0 45.1 -12.3 31 33 A E H <5S+ 0 0 139 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.795 133.4 20.5 -90.6 -32.1 7.7 45.7 -11.5 32 34 A R T <5S+ 0 0 110 -4,-3.3 -3,-0.2 -5,-0.3 4,-0.1 0.795 129.2 34.6-107.6 -39.6 8.8 47.3 -14.8 33 35 A L T >>> S+ 0 0 45 -3,-2.1 4,-1.1 -4,-0.1 -2,-0.2 0.427 94.0 82.0-113.1 3.1 6.5 54.1 -15.5 37 39 A I H S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 6,-0.2 0.755 116.2 60.3 -79.3 -26.2 4.2 60.0 -16.3 40 42 A A H <>S+ 0 0 2 -4,-1.1 5,-2.5 2,-0.2 -1,-0.2 0.875 113.9 38.2 -68.7 -35.7 4.5 58.2 -19.7 41 43 A N H ><5S+ 0 0 8 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.908 115.0 53.5 -78.4 -44.5 0.8 58.6 -20.2 42 44 A R H 3<5S+ 0 0 97 -4,-1.9 -2,-0.2 -5,-0.4 -3,-0.2 0.858 122.2 29.4 -58.9 -38.1 0.7 62.1 -18.7 43 45 A N T 3<5S- 0 0 100 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.142 107.6-115.5-111.5 19.5 3.4 63.3 -21.0 44 46 A E T < 5 + 0 0 45 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.889 58.9 158.5 49.5 47.4 2.8 61.1 -24.0 45 47 A V < - 0 0 63 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.2 -0.880 26.8-163.6-106.1 131.6 6.2 59.4 -23.7 46 48 A F - 0 0 22 -2,-0.5 2,-0.9 167,-0.1 167,-0.1 -0.949 13.9-142.9-116.1 114.5 6.8 55.9 -25.2 47 49 A H > - 0 0 51 -2,-0.6 3,-1.6 165,-0.2 4,-0.3 -0.649 5.8-162.1 -79.2 106.0 9.8 54.0 -23.9 48 50 A R T >> S+ 0 0 66 -2,-0.9 3,-1.6 1,-0.3 4,-0.8 0.790 86.4 72.2 -56.1 -28.2 11.3 52.2 -26.9 49 51 A E H >> S+ 0 0 90 1,-0.3 4,-3.2 2,-0.2 3,-0.7 0.841 78.3 75.5 -56.2 -37.6 13.1 50.0 -24.4 50 52 A I H <> S+ 0 0 1 -3,-1.6 4,-2.1 1,-0.3 -1,-0.3 0.791 95.6 49.7 -46.0 -33.9 9.8 48.3 -23.6 51 53 A I H <> S+ 0 0 0 -3,-1.6 4,-1.4 -4,-0.3 -1,-0.3 0.862 111.1 47.3 -76.3 -37.5 10.0 46.4 -26.9 52 54 A S H S+ 0 0 0 -4,-2.1 5,-1.9 -5,-0.3 4,-0.8 0.801 108.4 61.3 -64.5 -27.0 9.6 42.2 -24.0 55 57 A G H ><5S+ 0 0 6 -4,-1.4 3,-0.6 69,-0.2 -1,-0.2 0.920 102.9 49.9 -64.4 -42.9 12.0 41.0 -26.7 56 58 A E H 3<5S+ 0 0 160 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.974 107.0 52.4 -58.4 -58.3 14.2 39.4 -24.0 57 59 A L H 3<5S- 0 0 69 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.691 110.8-125.1 -53.7 -17.8 11.3 37.7 -22.2 58 60 A G T <<5S+ 0 0 25 -4,-0.8 12,-0.5 -3,-0.6 -3,-0.2 0.819 71.1 131.1 75.5 30.0 10.4 36.2 -25.7 59 61 A V < + 0 0 9 -5,-1.9 2,-0.3 64,-0.1 -4,-0.2 0.660 38.0 102.9 -87.1 -20.2 6.8 37.6 -25.5 60 62 A L S S- 0 0 2 -6,-0.7 10,-0.3 63,-0.4 36,-0.1 -0.510 102.9 -10.0 -69.7 125.0 7.0 39.1 -29.0 61 63 A G S > S+ 0 0 2 34,-0.3 3,-0.9 -2,-0.3 10,-0.4 0.944 81.3 174.9 50.3 57.9 5.2 36.9 -31.5 62 64 A P T 3 + 0 0 2 0, 0.0 10,-4.0 0, 0.0 -1,-0.1 0.664 68.3 57.3 -67.5 -22.5 4.8 34.0 -29.0 63 65 A T T 3 S+ 0 0 39 8,-0.3 2,-0.2 7,-0.1 11,-0.1 0.603 81.0 106.4 -86.8 -12.3 2.6 31.7 -31.2 64 66 A I < - 0 0 6 -3,-0.9 7,-0.8 1,-0.1 2,-0.8 -0.474 67.6-137.7 -70.0 136.8 5.2 31.6 -34.0 65 67 A K E -A 70 0A 134 -2,-0.2 2,-0.2 6,-0.1 5,-0.1 -0.854 67.3 -9.6 -99.3 105.4 7.0 28.2 -34.2 66 68 A G E > S+A 69 0A 39 -2,-0.8 3,-1.7 3,-0.7 5,-0.2 -0.596 84.8 93.0 107.6-171.2 10.7 28.8 -34.8 67 69 A Y T 3 S- 0 0 50 1,-0.3 56,-0.2 -2,-0.2 3,-0.1 0.735 124.3 -52.1 52.3 28.8 12.8 31.9 -35.8 68 70 A G T 3 S+ 0 0 72 1,-0.3 2,-0.3 55,-0.1 -1,-0.3 0.684 105.6 135.9 84.4 18.6 13.5 32.6 -32.1 69 71 A C E < -A 66 0A 20 -3,-1.7 -3,-0.7 1,-0.1 -1,-0.3 -0.786 62.7-127.0-104.9 146.2 9.9 32.5 -31.0 70 72 A A E -A 65 0A 59 -12,-0.5 -7,-0.1 -2,-0.3 -5,-0.1 0.759 30.2-148.5 -57.8 -29.3 8.4 30.8 -28.0 71 73 A G + 0 0 26 -7,-0.8 -8,-0.3 -10,-0.4 -6,-0.1 0.950 38.8 158.2 56.5 51.2 5.8 28.9 -30.1 72 74 A V - 0 0 33 -10,-4.0 2,-0.1 1,-0.2 -1,-0.1 -0.240 41.5 -73.5 -95.9-174.0 3.2 28.9 -27.3 73 75 A S > - 0 0 26 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.416 31.6-118.0 -84.3 159.1 -0.6 28.6 -27.4 74 76 A S H > S+ 0 0 8 234,-0.3 4,-2.1 1,-0.2 5,-0.1 0.853 119.0 55.5 -59.3 -34.5 -3.2 31.1 -28.5 75 77 A V H > S+ 0 0 0 233,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.932 106.0 48.8 -65.0 -45.8 -4.4 30.9 -24.9 76 78 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.900 109.0 53.7 -60.5 -40.8 -1.0 31.9 -23.6 77 79 A Y H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.906 110.3 48.0 -59.8 -41.3 -0.9 34.7 -26.1 78 80 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.924 108.2 52.9 -65.5 -44.5 -4.2 35.9 -24.6 79 81 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.830 109.5 51.4 -59.4 -32.0 -3.0 35.6 -21.1 80 82 A L H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.929 108.1 48.9 -71.5 -47.0 -0.1 37.8 -22.0 81 83 A A H X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.847 108.9 56.0 -60.6 -36.1 -2.2 40.5 -23.6 82 84 A R H X S+ 0 0 18 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.883 108.2 45.8 -65.5 -40.0 -4.4 40.5 -20.5 83 85 A E H < S+ 0 0 0 -4,-1.4 4,-0.4 2,-0.2 -2,-0.2 0.873 115.4 47.8 -71.4 -36.3 -1.4 41.1 -18.1 84 86 A L H >X S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 4,-1.9 0.962 112.9 45.9 -67.7 -53.6 -0.1 43.9 -20.4 85 87 A E H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 4,-0.2 0.762 98.6 72.2 -61.7 -25.3 -3.4 45.6 -20.8 86 88 A R T 3< S+ 0 0 28 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.754 108.8 35.7 -61.3 -22.1 -3.9 45.3 -17.1 87 89 A V T <4 S- 0 0 0 -3,-2.0 2,-0.3 -4,-0.4 -2,-0.2 0.887 138.5 -28.2 -92.1 -58.1 -1.2 48.0 -16.9 88 90 A D X - 0 0 0 -4,-1.9 4,-1.9 1,-0.1 3,-0.3 -0.921 39.3-136.2-164.9 138.4 -2.1 50.0 -20.0 89 91 A S H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.790 104.1 64.1 -63.4 -30.3 -3.8 49.6 -23.4 90 92 A G H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.942 105.3 44.3 -59.5 -48.6 -1.0 51.7 -25.1 91 93 A Y H >> S+ 0 0 0 -3,-0.3 4,-2.1 1,-0.2 3,-0.7 0.961 112.5 50.1 -61.0 -53.0 1.6 49.1 -24.1 92 94 A R H 3X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.881 106.3 59.9 -55.3 -35.0 -0.6 46.1 -25.2 93 95 A S H 3X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.884 104.2 47.6 -60.6 -40.4 -1.2 48.0 -28.5 94 96 A A H S+ 0 0 4 -4,-1.8 4,-2.1 -5,-0.2 5,-0.7 0.857 110.9 45.5 -77.0 -39.9 -0.2 43.5 -30.6 97 99 A V H X>S+ 0 0 9 -4,-1.9 4,-1.7 3,-0.2 5,-1.4 0.972 114.2 48.5 -67.5 -53.3 1.1 45.3 -33.7 98 100 A Q H <>S+ 0 0 0 -4,-2.4 5,-2.3 3,-0.2 4,-0.3 0.910 123.2 32.2 -51.3 -49.9 4.6 43.7 -33.3 99 101 A S H <>S+ 0 0 5 -4,-1.6 5,-1.2 -5,-0.2 -2,-0.2 0.947 132.8 20.9 -76.7 -56.6 3.2 40.2 -32.8 100 102 A S H <5S+ 0 0 4 -4,-2.1 147,-0.2 -5,-0.2 146,-0.2 0.600 129.1 39.4 -95.3 -11.9 -0.0 39.9 -34.9 101 103 A L T < S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.892 114.1 50.3 -62.0 -38.2 2.0 38.5 -41.8 106 108 A I H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.931 115.4 45.2 -62.7 -43.6 5.8 38.2 -42.6 107 109 A Y H < S+ 0 0 76 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.931 122.5 33.8 -64.1 -50.0 5.6 34.6 -41.2 108 110 A A H < S+ 0 0 50 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.829 132.8 24.6 -80.2 -35.0 2.4 33.6 -43.0 109 111 A Y H < S+ 0 0 45 -4,-3.1 124,-2.6 -5,-0.3 125,-0.4 0.345 103.3 95.2-114.9 6.5 2.7 35.5 -46.3 110 112 A G S < S- 0 0 9 -4,-1.2 2,-0.2 -5,-0.3 121,-0.1 -0.362 73.5-105.7 -95.8 175.0 6.4 36.0 -46.6 111 113 A S > - 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