==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JUL-05 2A8X . COMPND 2 MOLECULE: DIHYDROLIPOYL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.R.RAJASHANKAR,R.BRYK,R.KNIEWEL,J.A.BUGLINO,C.F.NATHAN, . 928 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 683 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 15.0 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 87 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 248 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 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 3 3 5 1 0 2 0 2 4 0 2 0 2 0 0 1 1 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 4 2 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 PARALLEL BRIDGES PER LADDER . 6 1 4 3 1 6 5 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 2 0 2 2 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 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 1 A X 0 0 230 0, 0.0 2,-0.4 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 72.3 -30.1 10.5 -4.7 2 2 A T E +a 133 0A 66 130,-0.7 132,-1.9 2,-0.0 2,-0.3 -0.838 360.0 177.5-104.4 135.7 -27.5 9.7 -2.0 3 3 A H E -a 134 0A 77 -2,-0.4 2,-0.3 130,-0.2 132,-0.2 -0.973 4.6-172.3-133.9 146.2 -26.2 6.2 -1.2 4 4 A Y E -a 135 0A 35 130,-1.6 132,-1.2 -2,-0.3 133,-0.4 -0.972 33.1-128.3-138.0 152.9 -23.6 4.8 1.2 5 5 A D E S+ 0 0 51 23,-0.6 132,-1.2 -2,-0.3 131,-0.4 0.902 102.2 18.5 -63.6 -40.4 -21.9 1.5 1.9 6 6 A V E -ab 137 29A 0 22,-2.4 24,-1.2 130,-0.2 2,-0.4 -0.975 66.3-166.0-134.1 144.8 -22.9 1.9 5.5 7 7 A V E -ab 138 30A 3 130,-1.3 132,-2.6 -2,-0.3 2,-0.4 -0.999 11.0-155.0-130.6 132.3 -25.5 4.1 7.3 8 8 A V E -ab 139 31A 0 22,-2.7 24,-3.2 -2,-0.4 2,-0.7 -0.922 4.5-150.2-112.8 131.2 -25.5 4.6 11.1 9 9 A L E S+ab 140 32A 11 130,-2.8 132,-2.0 -2,-0.4 24,-0.2 -0.880 70.3 15.2-101.4 113.8 -28.5 5.5 13.1 10 10 A G - 0 0 10 22,-3.1 23,-0.2 -2,-0.7 22,-0.1 0.203 64.0-131.1 100.4 137.3 -27.6 7.5 16.2 11 11 A A + 0 0 0 25,-0.4 27,-2.3 4,-0.2 28,-0.2 -0.084 62.5 124.7-112.2 32.2 -24.4 9.3 17.0 12 12 A G S >>S- 0 0 12 129,-0.5 4,-2.1 26,-0.3 5,-0.5 -0.084 84.3 -71.9 -77.6-173.5 -23.9 7.9 20.5 13 13 A P H >5S+ 0 0 16 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.927 136.2 38.8 -46.7 -57.7 -20.7 6.1 21.7 14 14 A G H >5S+ 0 0 3 3,-0.2 4,-2.0 2,-0.2 5,-0.2 0.900 116.9 53.6 -62.6 -39.9 -21.4 3.0 19.7 15 15 A G H >5S+ 0 0 1 126,-0.2 4,-2.5 2,-0.2 3,-0.4 0.990 113.2 35.2 -59.6 -66.7 -22.8 4.9 16.7 16 16 A Y H X5S+ 0 0 3 -4,-2.1 4,-1.8 1,-0.3 -1,-0.2 0.797 118.6 53.3 -62.4 -27.5 -20.0 7.4 15.9 17 17 A V H X<>S+ 0 0 0 -4,-2.5 5,-1.4 2,-0.2 3,-0.6 0.935 109.0 47.6 -60.6 -48.9 -16.1 1.7 9.1 23 23 A A H ><5S+ 0 0 20 -4,-2.4 3,-2.7 1,-0.3 -2,-0.2 0.927 106.7 56.7 -59.3 -45.8 -14.4 4.6 7.5 24 24 A Q H 3<5S+ 0 0 42 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.794 103.9 55.7 -56.7 -27.9 -11.0 3.3 8.5 25 25 A L T <<5S- 0 0 49 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.188 126.4-102.7 -91.0 17.8 -11.9 0.1 6.6 26 26 A G T < 5S+ 0 0 64 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.872 72.0 147.1 66.0 40.9 -12.5 2.2 3.5 27 27 A L < - 0 0 34 -5,-1.4 2,-0.5 -8,-0.1 -1,-0.2 -0.927 55.8-117.7-113.1 129.1 -16.3 2.2 3.7 28 28 A S - 0 0 57 -2,-0.5 -22,-2.4 78,-0.1 -23,-0.6 -0.476 48.3-169.6 -62.0 113.8 -18.5 5.0 2.5 29 29 A T E +b 6 0A 6 -2,-0.5 78,-2.2 76,-0.3 2,-0.3 -0.882 23.5 178.1-121.4 147.0 -20.1 6.0 5.7 30 30 A A E -bc 7 107A 0 -24,-1.2 -22,-2.7 -2,-0.4 2,-0.4 -0.995 11.7-156.4-139.2 142.7 -22.9 8.3 6.8 31 31 A I E -bc 8 108A 0 76,-2.8 78,-3.0 -2,-0.3 2,-0.5 -0.979 4.9-153.0-126.5 128.9 -24.3 8.9 10.3 32 32 A V E +bc 9 109A 3 -24,-3.2 -22,-3.1 -2,-0.4 78,-0.2 -0.878 27.6 150.1-104.6 125.3 -27.8 10.2 11.1 33 33 A E - 0 0 20 76,-2.1 78,-0.5 -2,-0.5 79,-0.1 -0.963 21.9-177.1-153.5 130.4 -28.4 12.1 14.4 34 34 A P S S+ 0 0 51 0, 0.0 78,-0.1 0, 0.0 3,-0.1 0.722 79.2 6.4-101.4 -24.3 -31.0 14.9 15.2 35 35 A K S S+ 0 0 124 1,-0.2 2,-0.7 76,-0.1 -2,-0.1 0.676 115.0 39.5-121.0 -78.9 -30.1 15.8 18.8 36 36 A Y > - 0 0 37 2,-0.0 3,-1.6 8,-0.0 2,-0.8 -0.742 54.1-160.6 -92.0 108.9 -27.1 14.5 20.7 37 37 A W T 3 S+ 0 0 15 -2,-0.7 60,-0.2 1,-0.3 -25,-0.2 -0.782 94.8 25.4 -86.5 114.4 -23.8 14.1 18.9 38 38 A G T 3> S- 0 0 0 -27,-2.3 4,-1.6 -2,-0.8 -1,-0.3 0.363 117.8-121.5 107.4 2.1 -21.9 11.7 21.2 39 39 A G H <> - 0 0 7 -3,-1.6 4,-1.2 -27,-0.3 5,-0.2 -0.091 53.5 -37.8 63.8-158.6 -25.3 10.5 22.4 40 40 A V H >>S+ 0 0 55 1,-0.2 4,-2.6 3,-0.2 5,-0.7 0.867 132.4 64.2 -67.8 -36.6 -26.6 10.5 25.9 41 41 A a H >5S+ 0 0 11 1,-0.2 6,-1.2 4,-0.2 4,-0.7 0.897 110.3 30.8 -54.9 -51.9 -23.2 9.6 27.2 42 42 A L H <5S+ 0 0 2 -4,-1.6 52,-0.3 4,-0.2 -1,-0.2 0.708 127.6 40.9 -83.7 -22.1 -21.3 12.7 26.2 43 43 A N H <5S- 0 0 21 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.860 139.8 -9.6 -94.9 -40.3 -24.2 15.2 26.5 44 44 A V H <5S+ 0 0 2 -4,-2.6 -3,-0.2 -5,-0.2 121,-0.2 0.106 124.2 48.8-149.2 24.2 -26.0 14.2 29.6 45 45 A G S X S+ 0 0 27 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.875 126.0 42.9 -32.2 -78.2 -21.1 9.5 31.4 47 47 A I H > S+ 0 0 5 -6,-1.2 4,-1.8 1,-0.2 5,-0.2 0.911 117.6 39.7 -43.1 -69.7 -19.1 12.7 30.8 48 48 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.898 117.6 50.4 -54.6 -41.0 -21.0 15.4 32.6 49 49 A S H X S+ 0 0 13 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.904 106.0 54.0 -66.1 -41.7 -21.9 13.1 35.5 50 50 A K H X S+ 0 0 26 -4,-2.9 4,-1.3 -5,-0.3 -1,-0.2 0.892 107.9 51.2 -59.4 -38.9 -18.3 12.0 36.2 51 51 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.888 109.7 49.7 -64.1 -39.7 -17.2 15.6 36.4 52 52 A L H X S+ 0 0 4 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.842 106.3 56.0 -68.0 -33.1 -19.9 16.3 38.9 53 53 A L H X S+ 0 0 11 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.816 103.9 55.4 -68.8 -28.7 -18.9 13.3 40.9 54 54 A R H X S+ 0 0 16 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.913 108.4 46.2 -70.6 -42.2 -15.4 14.8 41.1 55 55 A N H X S+ 0 0 2 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.935 112.9 50.0 -65.3 -43.7 -16.6 18.0 42.6 56 56 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.865 106.7 57.1 -61.6 -34.7 -18.8 16.1 45.1 57 57 A E H X S+ 0 0 15 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.895 106.3 48.0 -63.3 -41.4 -15.7 14.0 46.0 58 58 A L H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.838 110.1 51.9 -69.0 -33.8 -13.7 17.1 46.9 59 59 A V H X S+ 0 0 8 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.894 111.8 47.8 -67.7 -40.1 -16.6 18.4 49.0 60 60 A H H X S+ 0 0 38 -4,-2.2 4,-1.5 1,-0.2 5,-0.5 0.899 108.9 53.7 -67.5 -41.5 -16.8 15.0 50.8 61 61 A I H X S+ 0 0 14 -4,-2.5 4,-2.2 3,-0.2 -2,-0.2 0.923 116.7 37.7 -59.9 -45.1 -13.0 15.0 51.4 62 62 A F H X S+ 0 0 20 -4,-2.0 4,-2.5 3,-0.2 5,-0.2 0.985 114.2 49.4 -71.5 -61.6 -13.1 18.4 53.0 63 63 A T H < S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.757 126.7 28.7 -52.5 -25.8 -16.3 18.4 55.0 64 64 A K H < S+ 0 0 132 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.818 134.5 23.6-105.5 -37.9 -15.3 15.0 56.5 65 65 A D H X S+ 0 0 31 -4,-2.2 4,-1.7 -5,-0.5 6,-0.3 0.286 80.6 115.3-114.7 9.9 -11.5 14.8 56.6 66 66 A A T <>S+ 0 0 7 -4,-2.5 5,-3.6 1,-0.2 3,-0.4 0.893 88.1 37.5 -45.2 -51.7 -10.5 18.5 56.6 67 67 A K T >45S+ 0 0 136 -5,-0.2 3,-1.8 3,-0.2 -1,-0.2 0.876 108.8 62.6 -72.0 -36.2 -8.9 18.2 60.0 68 68 A A T 345S+ 0 0 51 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.785 110.6 41.9 -58.9 -25.6 -7.6 14.7 59.4 69 69 A F T 3<5S- 0 0 9 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.398 120.9-109.3-100.9 1.4 -5.5 16.3 56.7 70 70 A G T < 5 + 0 0 8 -3,-1.8 473,-2.2 1,-0.3 2,-0.6 0.742 65.3 153.9 77.9 23.3 -4.6 19.3 58.8 71 71 A I E < -H 542 0B 2 -5,-3.6 2,-0.4 -6,-0.3 -1,-0.3 -0.767 21.8-171.2 -89.0 120.6 -6.8 21.6 56.7 72 72 A S E +H 541 0B 66 469,-3.1 469,-2.9 -2,-0.6 2,-0.2 -0.918 37.6 51.8-116.8 140.6 -7.9 24.6 58.7 73 73 A G E S-H 540 0B 23 -2,-0.4 2,-0.5 467,-0.2 467,-0.2 -0.591 77.3 -82.3 126.5 170.4 -10.5 27.2 57.7 74 74 A E + 0 0 175 465,-0.6 2,-0.3 -2,-0.2 465,-0.3 -0.960 44.5 176.4-117.8 123.6 -14.1 27.3 56.3 75 75 A V - 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0 0 128 -904,-0.0 -1,-0.1 -3,-0.0 2,-0.1 -0.953 57.3-118.6-127.1 146.6 -5.5 3.1 14.0 926 461 B X - 0 0 29 -2,-0.4 3,-0.3 1,-0.1 -9,-0.1 -0.468 19.4-152.3 -76.1 152.8 -6.8 4.8 17.1 927 462 B I S S+ 0 0 7 1,-0.2 2,-2.2 -2,-0.1 -1,-0.1 0.931 83.7 40.5 -89.5 -71.0 -10.5 5.4 17.4 928 463 B N 0 0 15 1,-0.2 -1,-0.2 -82,-0.0 -11,-0.1 -0.379 360.0 360.0 -81.0 64.3 -11.1 8.4 19.6 929 464 B F 0 0 86 -2,-2.2 -1,-0.2 -3,-0.3 -2,-0.1 0.410 360.0 360.0-161.6 360.0 -8.3 10.5 18.3