==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-JUL-09 3II4 . COMPND 2 MOLECULE: DIHYDROLIPOYL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.D.LIMA . 927 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 73.0 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 . 136 14.7 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 . 7 0.8 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 . 1 0.1 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 . 90 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.9 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 4 2 5 1 1 1 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 5 5 2 1 1 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 . 5 2 4 1 3 3 7 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 3 1 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 2 A T 0 0 114 0, 0.0 132,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 90.3 -27.7 9.6 -2.2 2 3 A H E -a 133 0A 89 130,-0.2 2,-0.3 132,-0.0 132,-0.2 -0.949 360.0-174.3-129.9 148.3 -26.4 6.1 -1.4 3 4 A Y E -a 134 0A 39 130,-1.4 132,-1.3 -2,-0.3 133,-0.3 -0.947 33.3-130.0-138.4 159.0 -23.8 4.9 1.2 4 5 A D E S+ 0 0 54 23,-0.8 132,-1.7 -2,-0.3 131,-0.5 0.926 100.5 19.3 -71.7 -43.6 -22.2 1.6 2.1 5 6 A V E -ab 136 28A 0 22,-2.1 24,-1.6 130,-0.2 2,-0.4 -0.985 64.1-170.6-132.6 137.9 -23.1 2.2 5.7 6 7 A V E -ab 137 29A 5 130,-1.5 132,-2.6 -2,-0.4 2,-0.5 -0.996 11.2-155.7-128.7 126.2 -25.6 4.5 7.4 7 8 A V E -ab 138 30A 0 22,-3.0 24,-2.9 -2,-0.4 2,-0.7 -0.895 4.1-152.0-106.8 128.3 -25.7 5.0 11.2 8 9 A L E S+ab 139 31A 11 130,-2.8 132,-2.2 -2,-0.5 24,-0.2 -0.869 70.4 20.6 -99.0 110.5 -28.8 6.0 13.1 9 10 A G - 0 0 9 22,-2.9 23,-0.2 -2,-0.7 22,-0.1 0.188 64.2-134.7 105.8 133.2 -27.8 7.9 16.2 10 11 A A + 0 0 0 25,-0.4 27,-2.6 4,-0.2 28,-0.1 -0.057 62.3 117.9-112.0 32.1 -24.6 9.7 17.1 11 12 A G S >>S- 0 0 11 129,-0.5 4,-2.2 26,-0.2 5,-0.5 -0.148 89.5 -65.1 -84.1-172.8 -24.1 8.5 20.7 12 13 A P H >5S+ 0 0 15 0, 0.0 4,-0.9 0, 0.0 5,-0.2 0.831 137.2 41.6 -41.0 -44.5 -21.1 6.4 21.9 13 14 A G H >5S+ 0 0 3 2,-0.1 4,-2.1 3,-0.1 5,-0.2 0.950 116.4 44.6 -73.5 -50.3 -22.1 3.5 19.7 14 15 A G H >5S+ 0 0 0 126,-0.3 4,-1.9 1,-0.2 -4,-0.2 0.946 115.6 43.0 -61.5 -52.6 -23.1 5.3 16.5 15 16 A Y H X5S+ 0 0 5 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.803 116.3 48.4 -68.3 -28.3 -20.2 7.8 16.2 16 17 A V H X<>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 3,-0.5 0.935 111.3 48.5 -57.6 -47.8 -16.5 1.9 9.3 22 23 A A H ><5S+ 0 0 20 -4,-2.9 3,-2.1 1,-0.2 -1,-0.2 0.923 106.9 56.3 -58.6 -44.9 -14.8 4.9 7.7 23 24 A Q H 3<5S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.814 102.1 57.8 -57.0 -31.4 -11.4 3.5 8.6 24 25 A L T <<5S- 0 0 49 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.140 124.9-103.0 -86.7 19.8 -12.3 0.3 6.7 25 26 A G T < 5S+ 0 0 68 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.676 74.4 143.5 70.0 19.4 -12.9 2.4 3.6 26 27 A L < - 0 0 30 -5,-1.9 2,-0.2 -6,-0.2 -1,-0.2 -0.803 56.5-121.0 -95.7 126.8 -16.7 2.3 3.8 27 28 A S - 0 0 52 -2,-0.5 -22,-2.1 78,-0.1 -23,-0.8 -0.487 44.6-167.2 -61.8 126.3 -18.6 5.5 2.7 28 29 A T E -b 5 0A 6 76,-0.3 78,-2.4 -2,-0.2 2,-0.4 -0.943 24.0-176.6-129.5 146.3 -20.4 6.4 5.8 29 30 A A E -bc 6 106A 0 -24,-1.6 -22,-3.0 -2,-0.4 2,-0.4 -1.000 9.3-161.4-137.6 133.1 -23.3 8.7 6.9 30 31 A I E -bc 7 107A 0 76,-2.8 78,-2.5 -2,-0.4 2,-0.5 -0.966 5.3-153.7-121.4 131.9 -24.6 9.2 10.4 31 32 A V E +bc 8 108A 2 -24,-2.9 -22,-2.9 -2,-0.4 78,-0.2 -0.902 23.7 155.6-109.0 126.2 -28.0 10.7 11.2 32 33 A E - 0 0 21 76,-2.1 78,-0.4 -2,-0.5 79,-0.1 -0.980 21.3-171.5-148.7 131.2 -28.7 12.6 14.5 33 34 A P S S- 0 0 48 0, 0.0 78,-0.1 0, 0.0 3,-0.1 0.681 80.3 -2.5 -98.1 -19.5 -31.3 15.2 15.2 34 35 A K S S+ 0 0 127 1,-0.1 2,-0.8 76,-0.1 -2,-0.1 0.613 115.9 48.5-136.0 -61.2 -30.4 16.4 18.7 35 36 A Y > - 0 0 43 2,-0.0 3,-1.9 8,-0.0 2,-0.7 -0.792 52.5-165.1-103.5 101.0 -27.4 15.0 20.7 36 37 A W T 3 S+ 0 0 21 -2,-0.8 -25,-0.2 1,-0.3 60,-0.1 -0.714 94.4 25.1 -78.7 119.0 -24.1 14.5 18.9 37 38 A G T 3> S- 0 0 0 -27,-2.6 4,-1.5 -2,-0.7 -1,-0.3 0.264 116.1-128.7 104.0 -6.6 -22.3 12.2 21.3 38 39 A G H <> - 0 0 8 -3,-1.9 4,-1.1 -27,-0.3 5,-0.3 -0.220 53.4 -32.2 66.3-151.3 -25.7 11.1 22.4 39 40 A V H >>S+ 0 0 61 3,-0.2 4,-2.5 2,-0.2 5,-1.5 0.965 133.0 59.6 -66.6 -54.3 -26.8 10.9 26.0 40 41 A a H >5S+ 0 0 9 1,-0.2 6,-1.2 3,-0.2 4,-0.7 0.863 112.6 32.7 -40.9 -62.5 -23.4 10.0 27.3 41 42 A L H <5S+ 0 0 3 -4,-1.5 52,-0.2 4,-0.2 -1,-0.2 0.774 127.9 37.8 -73.8 -27.5 -21.5 13.1 26.2 42 43 A N H <5S- 0 0 21 -4,-1.1 -2,-0.2 -3,-0.2 -3,-0.2 0.925 139.8 -6.2 -90.9 -53.2 -24.3 15.6 26.5 43 44 A V H <5S+ 0 0 2 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.166 127.0 45.5-131.9 17.1 -26.4 14.7 29.5 44 45 A G S X S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.805 121.4 47.7 -26.6 -75.2 -21.4 10.2 31.4 46 47 A I H > S+ 0 0 5 -6,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.903 118.1 34.6 -45.4 -65.7 -19.3 13.3 30.8 47 48 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.909 116.2 59.7 -62.3 -36.5 -21.1 16.0 32.9 48 49 A S H X S+ 0 0 18 -4,-2.4 4,-2.4 -8,-0.3 -2,-0.2 0.941 105.1 45.2 -54.3 -55.8 -22.0 13.3 35.5 49 50 A K H X S+ 0 0 20 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.787 110.6 56.6 -62.2 -26.1 -18.5 12.3 36.3 50 51 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 -5,-0.3 -1,-0.2 0.959 109.8 43.8 -67.9 -49.6 -17.5 16.0 36.5 51 52 A L H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.849 110.2 55.9 -63.5 -36.3 -20.2 16.6 39.1 52 53 A L H X S+ 0 0 8 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.888 105.6 52.7 -64.5 -36.3 -19.3 13.5 41.0 53 54 A R H X S+ 0 0 19 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.954 109.7 47.8 -63.5 -49.1 -15.7 14.8 41.2 54 55 A N H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 3,-0.2 0.932 110.7 50.9 -55.9 -49.2 -16.9 18.1 42.7 55 56 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.830 105.7 58.2 -59.7 -31.2 -19.1 16.3 45.2 56 57 A E H X S+ 0 0 16 -4,-1.7 4,-3.6 2,-0.2 -1,-0.2 0.921 105.0 48.4 -65.9 -43.1 -16.1 14.2 46.2 57 58 A L H X S+ 0 0 2 -4,-1.8 4,-2.3 -3,-0.2 5,-0.2 0.883 109.7 52.3 -64.5 -38.3 -14.1 17.3 47.1 58 59 A V H X S+ 0 0 6 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.916 114.0 44.8 -61.8 -42.1 -17.0 18.6 49.1 59 60 A H H X>S+ 0 0 29 -4,-2.1 4,-2.6 2,-0.2 5,-0.6 0.987 109.5 54.0 -63.7 -59.8 -17.0 15.3 50.9 60 61 A I H X5S+ 0 0 19 -4,-3.6 4,-1.3 1,-0.2 -2,-0.2 0.841 116.2 39.8 -43.6 -44.6 -13.3 15.1 51.4 61 62 A F H X5S+ 0 0 21 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.995 118.8 43.6 -70.3 -66.3 -13.3 18.4 53.1 62 63 A T H <5S+ 0 0 102 -4,-2.3 3,-0.3 1,-0.2 4,-0.3 0.914 123.3 35.9 -40.5 -65.0 -16.4 18.1 55.1 63 64 A K H <5S+ 0 0 118 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.802 135.1 19.3 -65.4 -33.8 -15.8 14.6 56.3 64 65 A D H X<>S+ 0 0 14 -4,-2.8 5,-2.9 -3,-0.3 3,-0.7 0.939 88.4 43.3 -50.3 -53.1 -10.8 18.4 57.0 66 67 A K G >45S+ 0 0 151 -4,-0.3 3,-2.3 1,-0.2 -1,-0.2 0.925 107.8 57.8 -60.0 -48.6 -9.6 17.8 60.5 67 68 A A G 345S+ 0 0 56 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.740 111.7 44.7 -56.0 -23.1 -8.0 14.5 59.8 68 69 A F G <<5S- 0 0 9 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.275 115.8-111.2-105.2 8.8 -5.9 16.2 57.2 69 70 A G T < 5S+ 0 0 8 -3,-2.3 473,-2.3 1,-0.2 2,-0.7 0.806 71.5 141.6 66.7 27.9 -4.9 19.3 59.2 70 71 A I E < +H 541 0B 4 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.905 24.3 173.3-105.2 108.7 -7.1 21.5 57.0 71 72 A S E +H 540 0B 49 469,-2.0 469,-2.5 -2,-0.7 2,-0.2 -0.915 22.7 82.5-119.8 146.5 -8.9 24.1 59.1 72 73 A G S S- 0 0 38 -2,-0.4 2,-0.8 467,-0.2 467,-0.2 -0.711 74.7 -79.2 145.1 164.9 -11.0 27.0 58.0 73 74 A E + 0 0 183 465,-0.5 2,-0.3 -2,-0.2 465,-0.2 -0.825 52.5 170.9-100.3 103.2 -14.5 27.9 56.9 74 75 A V - 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0 0 16 -5,-2.9 -25,-0.5 -6,-0.1 -1,-0.2 -0.931 27.1-156.1-105.4 124.2 -0.2 -11.1 25.0 896 432 B T > - 0 0 12 -2,-0.6 4,-2.6 -27,-0.1 3,-0.4 -0.281 35.2 -90.2 -93.7 179.9 0.3 -8.6 22.1 897 433 B A H > S+ 0 0 2 -29,-2.7 4,-2.9 1,-0.2 25,-0.2 0.802 124.4 61.8 -57.1 -31.0 -1.3 -5.4 21.1 898 434 B S H 4 S+ 0 0 60 -31,-0.4 4,-0.3 2,-0.2 -1,-0.2 0.921 110.7 36.0 -63.4 -46.7 -3.8 -7.4 19.1 899 435 B E H >4 S+ 0 0 51 -3,-0.4 3,-0.7 1,-0.2 -2,-0.2 0.822 117.2 55.1 -75.4 -32.6 -5.1 -9.2 22.2 900 436 B L H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.912 100.5 57.5 -66.1 -43.7 -4.8 -6.1 24.3 901 437 B A T 3< S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.603 99.9 61.7 -63.8 -11.9 -6.9 -3.9 21.9 902 438 B R T < S+ 0 0 59 -3,-0.7 2,-0.7 -4,-0.3 -1,-0.3 0.380 77.6 102.3 -96.1 2.4 -9.7 -6.4 22.5 903 439 B N S < S- 0 0 1 -3,-2.0 2,-0.4 -4,-0.1 -479,-0.1 -0.799 72.2-134.7 -89.4 117.0 -10.0 -5.8 26.2 904 440 B V - 0 0 11 -2,-0.7 2,-0.4 -566,-0.1 -481,-0.1 -0.575 17.4-152.1 -74.6 126.2 -13.0 -3.5 26.9 905 441 B H - 0 0 2 -2,-0.4 4,-0.1 -588,-0.1 -488,-0.1 -0.855 21.1-108.8-104.1 134.3 -12.2 -0.7 29.3 906 442 B T - 0 0 5 -2,-0.4 3,-0.3 -490,-0.2 6,-0.2 -0.191 45.8 -93.7 -58.2 145.1 -14.9 0.9 31.5 907 443 B H S S+ 0 0 15 1,-0.3 -560,-0.2 -560,-0.1 -591,-0.2 -0.934 97.7 18.2-116.4 135.1 -16.0 4.4 30.7 908 444 B P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.478 91.2 116.9-103.8 135.9 -15.1 6.9 31.8 909 445 B T > - 0 0 0 -3,-0.3 3,-1.2 -4,-0.1 -61,-0.4 -0.954 70.0-112.7-147.1 164.5 -11.7 6.1 33.3 910 446 B M T > S+ 0 0 9 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 0.822 110.4 73.2 -66.1 -30.9 -8.0 6.9 32.9 911 447 B S T >> S+ 0 0 2 1,-0.3 3,-1.5 2,-0.2 4,-1.0 0.669 77.0 75.3 -59.6 -18.5 -7.5 3.3 31.8 912 448 B E H <> S+ 0 0 21 -3,-1.2 4,-1.9 1,-0.3 -1,-0.3 0.772 83.3 68.4 -66.0 -21.7 -9.2 4.1 28.5 913 449 B A H <> S+ 0 0 0 -3,-2.2 4,-1.3 1,-0.2 -1,-0.3 0.743 96.9 52.7 -67.6 -22.9 -6.0 5.9 27.5 914 450 B L H <> S+ 0 0 0 -3,-1.5 4,-1.9 -4,-0.3 -1,-0.2 0.850 104.7 54.8 -78.8 -36.0 -4.3 2.4 27.5 915 451 B Q H X S+ 0 0 32 -4,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.922 106.2 52.2 -62.6 -44.3 -7.0 1.1 25.1 916 452 B E H X S+ 0 0 16 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.909 108.2 49.6 -59.8 -45.0 -6.3 3.9 22.6 917 453 B C H X S+ 0 0 0 -4,-1.3 4,-1.0 1,-0.2 -1,-0.2 0.889 106.2 56.6 -62.4 -37.7 -2.5 3.2 22.6 918 454 B F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 3,-0.3 0.918 111.9 43.6 -58.3 -41.4 -3.3 -0.5 22.0 919 455 B H H X S+ 0 0 40 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.855 112.0 51.1 -71.0 -38.0 -5.3 0.7 18.9 920 456 B G H < S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.582 112.0 50.2 -76.0 -8.6 -2.6 3.1 17.8 921 457 B L H < S+ 0 0 23 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.808 113.9 41.8 -93.4 -40.0 -0.1 0.3 18.1 922 458 B V H < S- 0 0 82 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.815 141.0 -57.6 -76.2 -32.4 -2.2 -2.2 16.1 923 459 B G S < S- 0 0 42 -4,-2.4 2,-0.4 -5,-0.2 -4,-0.0 -0.383 99.6 -11.3-170.0-105.5 -3.0 0.5 13.5 924 460 B H - 0 0 114 -2,-0.1 -4,-0.2 -3,-0.0 -3,-0.1 -0.981 64.9-113.7-127.0 134.7 -4.8 3.8 14.2 925 461 B M - 0 0 17 -2,-0.4 3,-0.2 1,-0.1 -9,-0.1 -0.030 17.1-141.4 -54.6 161.5 -6.6 5.0 17.3 926 462 B I S S+ 0 0 10 1,-0.2 2,-1.0 2,-0.1 -1,-0.1 0.911 95.4 40.6 -93.4 -59.6 -10.3 5.5 17.3 927 463 B N 0 0 24 1,-0.1 -1,-0.2 -82,-0.0 -2,-0.1 -0.189 360.0 360.0 -85.1 45.4 -11.0 8.6 19.4 928 464 B F 0 0 105 -2,-1.0 -1,-0.1 -3,-0.2 -2,-0.1 0.087 360.0 360.0-170.4 360.0 -7.9 10.3 18.0