==== 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 19-JAN-05 1YL6 . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR R.JANOWSKI,G.KEFALA,M.S.WEISS,TB STRUCTURAL GENOMICS CONSORT . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 11.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 3 0.6 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 1 0 0 0 0 2 0 2 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 5 3 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 . 1 0 1 0 0 0 0 2 3 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 2 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 1 A A 0 0 53 0, 0.0 26,-1.7 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 132.4 53.6 73.1 0.8 2 2 A R E -a 27 0A 86 24,-0.2 45,-2.3 43,-0.1 46,-1.2 -0.773 360.0-165.3 -99.4 106.4 55.5 71.8 -2.2 3 3 A V E -ab 28 48A 0 24,-3.1 26,-3.6 -2,-0.8 27,-0.8 -0.791 16.4-165.7-115.7 132.4 56.7 68.4 -1.5 4 4 A G E -ab 30 49A 0 44,-2.8 46,-2.5 -2,-0.4 2,-0.4 -0.813 11.3-154.4-106.3 151.4 59.3 66.1 -3.1 5 5 A V E -ab 31 50A 1 25,-2.4 27,-2.0 -2,-0.3 3,-0.4 -0.983 3.7-160.7-132.3 123.8 59.6 62.4 -2.3 6 6 A L S S+ 0 0 5 44,-2.5 46,-0.2 -2,-0.4 27,-0.2 -0.455 74.5 31.7 -94.8 171.0 62.6 60.2 -2.7 7 7 A G S > S+ 0 0 9 -2,-0.1 3,-1.1 1,-0.1 6,-0.5 0.877 74.3 169.0 52.6 41.7 62.8 56.4 -2.9 8 8 A A T 3 + 0 0 6 24,-2.6 25,-0.2 -3,-0.4 -1,-0.1 0.580 66.3 51.7 -68.0 -15.4 59.5 56.7 -4.6 9 9 A K T 3 S+ 0 0 174 23,-0.1 -1,-0.3 4,-0.1 24,-0.1 0.609 91.1 90.6 -97.5 -11.1 59.4 53.1 -5.8 10 10 A G S <> S- 0 0 35 -3,-1.1 4,-2.7 1,-0.1 5,-0.3 -0.343 95.5 -99.4 -68.7 164.3 60.1 51.5 -2.4 11 11 A K H > S+ 0 0 199 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.884 120.8 41.7 -54.4 -47.7 57.1 50.7 -0.1 12 12 A V H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.1 5,-0.2 0.958 115.9 48.9 -69.8 -49.2 57.3 53.8 2.1 13 13 A G H > S+ 0 0 3 -6,-0.5 4,-1.9 1,-0.2 -5,-0.2 0.962 108.1 51.7 -51.3 -60.1 58.0 56.2 -0.8 14 14 A A H X S+ 0 0 30 -4,-2.7 4,-1.8 -7,-0.4 -1,-0.2 0.877 110.1 53.6 -48.6 -40.0 55.2 55.0 -3.0 15 15 A T H X S+ 0 0 19 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.985 105.9 48.8 -58.4 -59.9 52.9 55.4 -0.0 16 16 A M H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.3 5,-0.3 0.770 105.2 61.6 -57.3 -22.6 53.7 59.0 0.7 17 17 A V H X S+ 0 0 18 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.3 0.994 107.5 41.6 -67.7 -54.2 53.3 59.8 -2.9 18 18 A R H X S+ 0 0 159 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.928 116.2 54.3 -50.0 -41.5 49.6 58.7 -2.7 19 19 A A H X S+ 0 0 13 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.892 107.3 45.6 -65.8 -43.7 49.5 60.5 0.6 20 20 A V H < S+ 0 0 1 -4,-3.0 6,-0.3 2,-0.2 -1,-0.2 0.895 113.7 52.0 -67.9 -40.5 50.8 63.9 -0.7 21 21 A A H < S+ 0 0 68 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.989 109.6 47.0 -56.2 -62.7 48.4 63.6 -3.6 22 22 A A H < S+ 0 0 80 -4,-2.9 2,-0.2 -5,-0.2 -1,-0.2 0.809 94.3 94.1 -50.4 -33.8 45.3 63.0 -1.5 23 23 A A >< - 0 0 14 -4,-1.6 3,-0.5 -5,-0.2 0, 0.0 -0.454 63.9-156.8 -73.1 130.6 46.3 65.8 0.9 24 24 A D T 3 S+ 0 0 160 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.0 0.836 86.5 51.0 -78.2 -36.3 44.6 69.1 -0.0 25 25 A D T 3 S+ 0 0 82 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.425 109.9 57.6 -84.6 0.6 46.9 71.6 1.5 26 26 A L < - 0 0 4 -3,-0.5 2,-0.4 -6,-0.3 -24,-0.2 -0.989 63.1-158.1-135.0 141.3 50.0 70.1 -0.1 27 27 A T E -a 2 0A 79 -26,-1.7 -24,-3.1 -2,-0.3 2,-0.4 -0.944 23.1-120.4-122.4 148.4 51.1 69.3 -3.6 28 28 A L E +a 3 0A 54 -2,-0.4 -24,-0.2 -26,-0.2 3,-0.1 -0.675 28.0 177.8 -87.3 126.9 53.7 66.8 -4.8 29 29 A S E + 0 0 22 -26,-3.6 2,-0.3 -2,-0.4 -25,-0.2 0.546 62.7 0.5-112.2 -10.4 56.5 68.5 -6.7 30 30 A A E -a 4 0A 13 -27,-0.8 -25,-2.4 15,-0.1 2,-0.4 -0.852 50.6-164.9-173.7 137.7 58.9 65.7 -7.7 31 31 A E E +a 5 0A 101 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.885 21.1 170.7-134.8 109.5 59.0 62.0 -7.1 32 32 A L - 0 0 9 -27,-2.0 -24,-2.6 -2,-0.4 2,-0.3 -0.798 18.2-155.2-111.3 155.3 62.3 60.3 -7.8 33 33 A D > - 0 0 52 -2,-0.3 3,-2.9 -26,-0.3 -2,-0.0 -0.801 55.7 -49.2-119.5 174.7 63.7 56.8 -7.1 34 34 A A T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -2,-0.3 -28,-0.0 -0.023 129.6 17.6 -38.4 109.0 67.3 55.7 -6.6 35 35 A G T 3 S+ 0 0 78 1,-0.5 -1,-0.3 -3,-0.0 -3,-0.0 0.349 82.8 124.1 111.2 -14.9 69.3 57.2 -9.4 36 36 A D S < S- 0 0 79 -3,-2.9 -1,-0.5 1,-0.1 2,-0.1 -0.703 77.4-101.2 -75.8 132.3 67.0 59.9 -10.7 37 37 A P > - 0 0 83 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.356 20.3-132.0 -68.2 137.8 69.2 63.0 -10.3 38 38 A L T > S+ 0 0 44 1,-0.3 3,-3.2 2,-0.2 4,-0.4 0.779 94.8 82.9 -54.2 -33.9 68.6 65.2 -7.3 39 39 A S T >> S+ 0 0 55 1,-0.3 4,-2.2 2,-0.2 3,-1.0 0.783 75.3 74.1 -41.5 -38.2 68.6 68.4 -9.4 40 40 A L H <> S+ 0 0 70 -3,-1.7 4,-1.1 1,-0.3 -1,-0.3 0.720 86.0 65.5 -50.7 -27.1 64.9 67.7 -10.3 41 41 A L H <4>S+ 0 0 0 -3,-3.2 5,-1.8 2,-0.2 3,-0.3 0.935 108.5 35.5 -64.2 -47.4 64.0 68.7 -6.7 42 42 A T H X45S+ 0 0 46 -3,-1.0 3,-2.0 -4,-0.4 -2,-0.2 0.847 108.1 68.0 -73.0 -35.0 65.1 72.3 -7.3 43 43 A D H 3<5S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 110.3 37.3 -53.5 -29.8 63.8 72.1 -10.9 44 44 A G T 3<5S- 0 0 15 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.279 113.4-115.1-107.3 10.0 60.4 71.9 -9.2 45 45 A N T < 5 - 0 0 115 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.964 42.9-172.5 54.7 55.2 60.9 74.3 -6.3 46 46 A T < - 0 0 8 -5,-1.8 -1,-0.2 1,-0.2 -43,-0.2 -0.731 16.2-175.0 -79.3 125.4 60.5 71.7 -3.7 47 47 A E S S+ 0 0 98 -45,-2.3 24,-1.5 -2,-0.5 2,-0.4 0.899 70.9 22.9 -85.2 -52.3 60.3 73.2 -0.2 48 48 A V E -bc 3 71A 5 -46,-1.2 -44,-2.8 22,-0.2 2,-0.4 -0.910 66.0-158.1-120.3 148.9 60.3 69.9 1.7 49 49 A V E -bc 4 72A 0 22,-2.6 24,-2.7 -2,-0.4 2,-0.6 -0.947 10.0-146.1-121.7 138.0 61.5 66.4 0.9 50 50 A I E -bc 5 73A 1 -46,-2.5 -44,-2.5 -2,-0.4 2,-0.5 -0.917 23.0-166.8 -97.2 128.4 60.4 63.1 2.4 51 51 A D E + c 0 74A 1 22,-3.2 24,-3.6 -2,-0.6 25,-1.0 -0.959 34.2 142.2-122.6 123.7 63.3 60.6 2.5 52 52 A F + 0 0 49 -2,-0.5 25,-0.1 23,-0.2 -40,-0.1 0.208 34.1 136.3-131.0 7.9 63.1 56.9 3.2 53 53 A T - 0 0 14 1,-0.1 5,-0.1 23,-0.1 23,-0.1 -0.216 68.3 -70.6 -47.4 144.5 65.8 55.7 0.7 54 54 A H >> - 0 0 118 1,-0.1 3,-1.2 3,-0.1 4,-0.8 0.069 48.3-107.2 -29.8 139.6 68.4 53.0 1.9 55 55 A P H 3> S+ 0 0 38 0, 0.0 4,-0.7 0, 0.0 3,-0.5 0.783 112.5 65.3 -45.9 -43.5 71.1 54.1 4.5 56 56 A D H 34 S+ 0 0 118 1,-0.2 4,-0.4 2,-0.1 3,-0.2 0.850 111.5 32.8 -47.9 -44.0 74.0 54.0 1.9 57 57 A V H <> S+ 0 0 69 -3,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.522 96.1 86.3-100.9 -6.4 72.6 56.9 -0.1 58 58 A V H X S+ 0 0 0 -4,-0.8 4,-3.1 -3,-0.5 5,-0.2 0.856 88.8 50.5 -63.7 -41.8 70.9 59.0 2.6 59 59 A M H X S+ 0 0 27 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.929 109.2 53.8 -64.6 -43.7 74.0 61.0 3.6 60 60 A G H > S+ 0 0 42 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.830 112.9 43.2 -54.9 -38.2 74.4 61.7 -0.1 61 61 A N H X S+ 0 0 19 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.962 109.4 54.7 -73.8 -52.1 70.9 63.0 -0.2 62 62 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.886 105.3 55.0 -48.1 -46.9 71.0 65.0 3.0 63 63 A E H X S+ 0 0 113 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.968 109.9 46.1 -51.0 -56.1 74.0 66.9 1.7 64 64 A F H X S+ 0 0 46 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.904 114.0 47.5 -54.0 -49.3 72.2 68.0 -1.4 65 65 A L H <>S+ 0 0 0 -4,-2.5 5,-3.2 2,-0.2 4,-0.4 0.911 115.0 44.0 -62.5 -45.4 69.1 69.0 0.4 66 66 A I H ><5S+ 0 0 1 -4,-2.9 3,-1.6 -5,-0.3 -2,-0.2 0.951 111.2 54.7 -67.5 -46.9 70.9 71.0 3.0 67 67 A D H 3<5S+ 0 0 115 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.925 114.2 43.0 -42.7 -49.9 73.2 72.6 0.4 68 68 A N T 3<5S- 0 0 64 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.322 115.3-110.0 -90.2 7.8 70.0 73.7 -1.5 69 69 A G T < 5 + 0 0 33 -3,-1.6 2,-0.6 -4,-0.4 -3,-0.2 0.810 67.2 148.9 69.8 32.5 67.9 74.9 1.5 70 70 A I < - 0 0 6 -5,-3.2 -1,-0.2 -6,-0.2 -22,-0.2 -0.891 45.1-131.0-106.3 114.0 65.5 72.0 1.2 71 71 A H E -c 48 0A 38 -24,-1.5 -22,-2.6 -2,-0.6 2,-0.5 -0.287 24.5-149.8 -61.7 145.6 63.9 70.9 4.5 72 72 A A E -cd 49 99A 0 26,-1.6 28,-3.2 -24,-0.2 2,-0.7 -0.949 21.9-166.8-133.6 117.8 64.0 67.1 5.0 73 73 A V E -cd 50 100A 0 -24,-2.7 -22,-3.2 -2,-0.5 2,-0.5 -0.905 28.9-168.5 -91.8 113.4 61.8 64.7 6.8 74 74 A V E +cd 51 101A 0 26,-3.2 28,-1.8 -2,-0.7 -22,-0.2 -0.936 26.7 169.2-116.0 127.1 64.0 61.6 7.0 75 75 A G + 0 0 10 -24,-3.6 -23,-0.2 -2,-0.5 -1,-0.1 0.544 43.5 113.8-111.0 -12.1 62.8 58.2 8.0 76 76 A T - 0 0 10 -25,-1.0 26,-0.1 1,-0.1 -23,-0.1 -0.281 51.2-157.0 -54.5 144.2 65.8 56.1 7.0 77 77 A T + 0 0 88 -25,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.054 59.3 96.4-100.4-149.1 67.6 54.6 9.9 78 78 A G + 0 0 38 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.727 59.1 153.2 70.4 20.6 71.2 53.4 10.3 79 79 A F - 0 0 32 -3,-0.1 -1,-0.3 4,-0.1 2,-0.3 -0.676 23.6-169.5 -87.0 138.9 72.0 56.7 11.8 80 80 A T > - 0 0 57 -2,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.741 39.2-102.8-121.5 163.6 74.8 56.9 14.2 81 81 A A H > S+ 0 0 73 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.951 125.5 48.3 -49.9 -48.1 76.1 59.5 16.6 82 82 A E H > S+ 0 0 140 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.794 110.0 51.7 -69.9 -28.9 78.8 60.4 14.1 83 83 A R H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 110.7 47.4 -67.8 -43.6 76.3 60.6 11.3 84 84 A F H X S+ 0 0 56 -4,-2.7 4,-3.5 2,-0.2 -2,-0.2 0.919 110.4 53.8 -57.8 -45.1 74.1 63.0 13.3 85 85 A Q H X S+ 0 0 141 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.897 108.2 49.9 -54.9 -42.5 77.3 64.9 14.0 86 86 A Q H X S+ 0 0 85 -4,-1.6 4,-2.0 2,-0.2 3,-0.3 0.951 113.4 44.2 -63.3 -52.1 77.9 65.1 10.3 87 87 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.3 5,-0.2 0.962 108.8 57.4 -55.1 -57.5 74.4 66.3 9.5 88 88 A E H X S+ 0 0 92 -4,-3.5 4,-0.7 1,-0.2 -1,-0.3 0.833 107.6 51.6 -37.9 -42.9 74.7 68.7 12.5 89 89 A S H >X S+ 0 0 71 -4,-1.7 3,-1.7 -3,-0.3 4,-0.7 0.967 104.8 50.5 -65.0 -57.5 77.8 70.0 10.6 90 90 A W H 3X S+ 0 0 47 -4,-2.0 4,-0.6 1,-0.3 3,-0.4 0.764 106.6 59.5 -53.0 -28.7 76.2 70.7 7.2 91 91 A L H 3< S+ 0 0 7 -4,-1.9 3,-0.4 1,-0.2 -1,-0.3 0.769 87.1 72.0 -75.6 -27.0 73.5 72.6 8.9 92 92 A V H << S+ 0 0 117 -3,-1.7 -1,-0.2 -4,-0.7 -2,-0.2 0.883 97.3 51.4 -56.2 -37.0 75.8 75.1 10.4 93 93 A A H < S+ 0 0 86 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.812 116.0 41.8 -72.2 -29.8 76.3 76.6 6.9 94 94 A K >< + 0 0 85 -4,-0.6 3,-1.3 -3,-0.4 -1,-0.2 -0.783 62.5 174.1-120.9 90.2 72.5 76.9 6.3 95 95 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.455 77.4 60.3 -70.4 -1.5 70.7 78.1 9.5 96 96 A N T 3 S+ 0 0 117 136,-0.1 2,-0.4 -5,-0.1 -25,-0.1 0.452 83.9 92.6-105.9 -7.4 67.3 78.4 7.6 97 97 A T < - 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