==== 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 1YL5 . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR R.JANOWSKI,G.KEFALA,M.S.WEISS,TB STRUCTURAL GENOMICS CONSORT . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 11.3 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 . 1 0.2 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 . 39 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 26.3 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+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 2 0 0 0 0 3 0 3 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 3 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 0 1 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 0 A A 0 0 149 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.5 25.8 28.3 -10.1 2 1 A M - 0 0 97 26,-0.1 2,-0.3 28,-0.0 26,-0.2 -0.669 360.0-129.3 -73.6 127.6 24.5 31.9 -10.4 3 1AA A E -a 28 0A 34 24,-2.7 26,-2.6 -2,-0.4 2,-1.0 -0.637 28.6-122.8 -69.8 136.8 21.4 32.6 -8.4 4 2 A R E -a 29 0A 73 -2,-0.3 45,-3.4 24,-0.2 46,-1.7 -0.745 32.3-172.6-102.8 102.8 19.0 34.2 -10.8 5 3 A V E -ab 30 50A 0 24,-2.9 26,-2.6 -2,-1.0 27,-0.9 -0.815 7.1-165.4-102.0 124.4 17.9 37.6 -9.6 6 4 A G E -ab 32 51A 0 44,-3.0 46,-2.9 -2,-0.5 2,-0.5 -0.830 8.9-151.2 -99.2 143.6 15.2 39.7 -11.2 7 5 A V E -ab 33 52A 0 25,-2.6 27,-2.9 -2,-0.4 3,-0.4 -0.965 3.6-160.1-118.6 127.1 14.8 43.3 -10.4 8 6 A L E S+ab 34 53A 6 44,-2.9 46,-0.8 -2,-0.5 27,-0.2 -0.782 81.2 26.9 -94.7 148.5 11.5 45.1 -10.6 9 7 A G S > S+ 0 0 8 25,-0.6 3,-0.7 -2,-0.3 6,-0.7 0.922 75.8 167.8 66.7 47.4 11.5 48.9 -10.9 10 8 A A T 3 S+ 0 0 4 24,-2.1 25,-0.2 -3,-0.4 9,-0.1 0.549 72.5 44.5 -77.9 -11.9 14.9 48.7 -12.5 11 9 A K T 3 S+ 0 0 184 23,-0.1 -1,-0.3 4,-0.1 24,-0.1 0.456 95.7 98.0-105.5 -8.8 15.0 52.3 -13.7 12 10 A G S <> S- 0 0 30 -3,-0.7 4,-2.4 1,-0.1 5,-0.3 -0.266 95.5 -99.5 -66.9 166.8 13.7 53.5 -10.3 13 11 A K H > S+ 0 0 184 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.936 120.0 36.1 -59.7 -52.4 16.4 54.7 -7.8 14 12 A V H > S+ 0 0 26 40,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 116.9 52.5 -70.2 -43.6 16.7 51.5 -5.8 15 13 A G H > S+ 0 0 2 -6,-0.7 4,-2.8 39,-0.2 -5,-0.2 0.926 107.5 49.8 -60.2 -49.7 16.2 49.1 -8.7 16 14 A A H X S+ 0 0 25 -4,-2.4 4,-2.1 -7,-0.4 -1,-0.2 0.922 112.4 49.9 -56.2 -43.3 18.9 50.6 -10.9 17 15 A T H X S+ 0 0 22 -4,-1.4 4,-2.5 -5,-0.3 -1,-0.2 0.919 111.4 48.3 -57.8 -46.1 21.2 50.4 -7.9 18 16 A M H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.858 106.7 55.8 -66.1 -38.1 20.3 46.7 -7.3 19 17 A V H X S+ 0 0 21 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.936 110.3 46.7 -55.5 -49.8 20.8 45.9 -11.0 20 18 A R H X S+ 0 0 157 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.945 112.3 50.2 -56.6 -49.6 24.3 47.3 -10.6 21 19 A A H X S+ 0 0 15 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.884 109.7 49.7 -60.7 -40.7 24.8 45.3 -7.3 22 20 A V H < S+ 0 0 0 -4,-3.2 6,-0.3 2,-0.2 -1,-0.2 0.920 109.0 53.7 -62.9 -42.5 23.7 42.1 -8.9 23 21 A A H < S+ 0 0 79 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.943 110.8 45.5 -52.9 -51.4 26.1 42.6 -11.8 24 22 A A H < S+ 0 0 82 -4,-2.3 2,-0.3 -5,-0.1 -1,-0.2 0.801 93.0 96.7 -67.4 -31.5 29.0 43.1 -9.4 25 23 A A >< - 0 0 12 -4,-1.7 3,-0.6 -5,-0.2 -4,-0.0 -0.447 64.4-151.4 -68.9 122.5 28.1 40.0 -7.3 26 24 A D T 3 S+ 0 0 151 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.795 96.1 43.9 -60.1 -33.4 30.0 36.8 -8.2 27 25 A D T 3 S+ 0 0 59 -25,-0.1 -24,-2.7 2,-0.0 2,-0.4 0.608 105.6 72.4 -92.2 -13.2 27.2 34.6 -7.1 28 26 A L E < -a 3 0A 4 -3,-0.6 2,-0.4 -6,-0.3 -24,-0.2 -0.827 54.5-172.4-108.9 142.2 24.3 36.5 -8.6 29 27 A T E -a 4 0A 43 -26,-2.6 -24,-2.9 -2,-0.4 2,-0.6 -0.960 30.5-120.0-122.6 145.9 23.3 36.9 -12.2 30 28 A L E +a 5 0A 52 -2,-0.4 -24,-0.2 -26,-0.2 3,-0.1 -0.793 30.2 179.0 -84.3 121.2 20.6 39.3 -13.3 31 29 A S E + 0 0 19 -26,-2.6 2,-0.3 -2,-0.6 -25,-0.2 0.741 67.9 3.5 -96.0 -29.6 18.0 37.1 -14.9 32 30 A A E -a 6 0A 11 -27,-0.9 -25,-2.6 -3,-0.1 2,-0.5 -0.935 52.9-158.9-160.0 140.3 15.6 40.0 -15.7 33 31 A E E +a 7 0A 104 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.976 26.9 172.0-119.5 107.0 15.6 43.7 -15.4 34 32 A L E +a 8 0A 5 -27,-2.9 -24,-2.1 -2,-0.5 -25,-0.6 -0.945 8.4 177.3-121.8 135.2 12.0 45.0 -15.5 35 33 A D > - 0 0 34 -2,-0.4 3,-1.6 -26,-0.3 -2,-0.0 -0.915 56.2 -34.8-131.6 172.0 10.7 48.5 -14.9 36 34 A A T 3 S+ 0 0 94 -2,-0.3 -1,-0.1 1,-0.3 -28,-0.0 0.225 130.1 14.5 -24.9 103.3 7.3 50.0 -15.0 37 35 A G T 3 S+ 0 0 82 1,-0.4 -1,-0.3 -3,-0.0 -3,-0.0 0.449 85.6 130.3 110.8 -3.6 5.4 48.3 -17.9 38 36 A D < - 0 0 67 -3,-1.6 -1,-0.4 1,-0.1 2,-0.3 -0.668 67.0-106.9 -85.6 135.8 7.5 45.3 -18.6 39 37 A P > - 0 0 76 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.531 18.5-138.2 -71.0 129.0 5.6 42.0 -18.7 40 38 A L T >> S+ 0 0 34 -2,-0.3 3,-2.3 1,-0.3 4,-0.7 0.704 97.3 79.7 -55.5 -25.7 6.3 39.9 -15.6 41 39 A S H 3> S+ 0 0 53 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.767 77.1 73.1 -52.6 -24.9 6.5 36.9 -17.9 42 40 A L H <> S+ 0 0 70 -3,-2.6 4,-1.2 1,-0.2 -1,-0.3 0.828 91.4 58.2 -59.9 -28.5 10.0 38.1 -18.7 43 41 A L H <4>S+ 0 0 0 -3,-2.3 5,-2.8 2,-0.2 -1,-0.2 0.910 112.0 36.0 -65.6 -47.6 10.8 36.9 -15.2 44 42 A T H ><5S+ 0 0 48 -4,-0.7 3,-1.6 3,-0.2 -2,-0.2 0.827 111.6 61.7 -77.9 -35.1 9.8 33.2 -15.9 45 43 A D H 3<5S+ 0 0 115 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.837 111.9 39.9 -53.0 -36.7 11.1 33.4 -19.5 46 44 A G T 3<5S- 0 0 18 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.236 115.6-116.3-100.4 14.0 14.5 34.1 -17.9 47 45 A N T < 5 - 0 0 116 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.932 41.8-169.7 47.9 54.5 14.1 31.5 -15.1 48 46 A T < - 0 0 10 -5,-2.8 -43,-0.2 1,-0.1 -1,-0.2 -0.486 14.7-175.0 -67.9 139.5 14.2 34.1 -12.3 49 47 A E + 0 0 91 -45,-3.4 24,-2.4 1,-0.4 2,-0.3 0.720 68.9 15.2-106.6 -26.4 14.5 32.6 -8.9 50 48 A V E -bc 5 73A 7 -46,-1.7 -44,-3.0 22,-0.2 -1,-0.4 -0.988 67.3-151.8-151.3 139.4 14.2 35.6 -6.7 51 49 A V E -bc 6 74A 0 22,-2.8 24,-2.8 -2,-0.3 2,-0.6 -0.923 10.3-143.7-118.2 141.1 13.1 39.2 -7.4 52 50 A I E -bc 7 75A 0 -46,-2.9 -44,-2.9 -2,-0.4 2,-0.5 -0.931 25.6-171.4 -94.6 120.9 14.1 42.5 -5.8 53 51 A D E +bc 8 76A 0 22,-2.8 24,-2.4 -2,-0.6 25,-1.4 -0.880 30.1 147.7-126.5 107.3 11.0 44.6 -5.7 54 52 A F + 0 0 43 -46,-0.8 -39,-0.2 -2,-0.5 -40,-0.2 -0.413 39.7 129.6-120.6 49.8 11.1 48.3 -4.6 55 53 A T - 0 0 37 1,-0.2 24,-0.3 -41,-0.1 -2,-0.0 0.223 65.7 -61.0 -84.4-150.8 8.3 49.4 -6.9 56 54 A H >> - 0 0 118 22,-0.1 4,-1.8 1,-0.1 3,-1.7 -0.648 41.4-114.9 -95.1 154.1 5.2 51.5 -5.9 57 55 A P T 34 S+ 0 0 31 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.684 115.7 61.6 -55.7 -16.1 2.6 50.4 -3.2 58 56 A D T 34 S+ 0 0 129 1,-0.1 4,-0.1 2,-0.1 22,-0.0 0.550 113.1 28.9 -92.7 -8.9 0.2 50.4 -6.2 59 57 A V T <> S+ 0 0 70 -3,-1.7 4,-2.6 2,-0.1 3,-0.5 0.593 97.2 84.1-118.9 -18.4 1.9 47.7 -8.2 60 58 A V H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.3 5,-0.2 0.785 90.3 52.5 -61.0 -32.4 3.6 45.5 -5.6 61 59 A M H > S+ 0 0 29 -4,-0.4 4,-1.8 2,-0.2 -1,-0.3 0.849 110.0 49.1 -73.2 -37.2 0.5 43.5 -4.9 62 60 A G H > S+ 0 0 44 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.983 114.7 46.2 -57.5 -57.7 0.2 42.7 -8.6 63 61 A N H X S+ 0 0 20 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.909 111.1 50.4 -49.3 -57.7 3.8 41.7 -8.6 64 62 A L H X S+ 0 0 0 -4,-3.1 4,-3.3 2,-0.2 5,-0.4 0.904 107.3 53.2 -52.2 -48.3 3.7 39.6 -5.5 65 63 A E H X S+ 0 0 100 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.952 113.5 44.2 -54.5 -48.7 0.7 37.5 -6.7 66 64 A F H X S+ 0 0 48 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.910 114.2 50.1 -62.6 -40.7 2.5 36.8 -9.9 67 65 A L H <>S+ 0 0 0 -4,-2.8 5,-3.3 1,-0.2 3,-0.3 0.944 115.7 40.6 -65.7 -45.3 5.8 36.0 -8.1 68 66 A I H ><5S+ 0 0 0 -4,-3.3 3,-1.5 1,-0.2 -2,-0.2 0.903 110.6 58.0 -70.5 -39.9 4.2 33.7 -5.6 69 67 A D H 3<5S+ 0 0 91 -4,-3.0 -1,-0.2 -5,-0.4 -2,-0.2 0.817 114.7 40.0 -56.6 -27.5 2.0 32.1 -8.3 70 68 A N T 3<5S- 0 0 68 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.260 115.1-111.8-111.3 5.8 5.2 31.2 -10.1 71 69 A G T < 5 + 0 0 33 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.749 65.0 149.5 72.2 25.1 7.3 30.2 -7.1 72 70 A I < - 0 0 4 -5,-3.3 -1,-0.2 -6,-0.2 -22,-0.2 -0.837 45.7-127.2 -95.3 121.5 9.6 33.2 -7.4 73 71 A H E -c 50 0A 34 -24,-2.4 -22,-2.8 -2,-0.6 2,-0.4 -0.320 24.2-147.4 -67.0 152.2 11.1 34.4 -4.2 74 72 A A E -cd 51 101A 0 26,-2.0 28,-3.3 -24,-0.2 2,-0.6 -0.983 20.5-169.7-135.4 125.9 10.6 38.0 -3.3 75 73 A V E -cd 52 102A 0 -24,-2.8 -22,-2.8 -2,-0.4 2,-0.5 -0.972 28.6-166.3-114.6 108.3 12.7 40.5 -1.4 76 74 A V E +cd 53 103A 0 26,-4.1 28,-2.3 -2,-0.6 -22,-0.2 -0.886 33.2 163.3-115.6 123.7 10.4 43.4 -1.0 77 75 A G + 0 0 10 -24,-2.4 -23,-0.2 -2,-0.5 -1,-0.1 0.418 44.6 119.4-110.6 -7.3 11.3 47.0 0.0 78 76 A T - 0 0 7 -25,-1.4 3,-0.1 -22,-0.1 -22,-0.1 -0.281 52.8-147.1 -57.2 141.5 8.1 48.5 -1.2 79 77 A T + 0 0 93 -24,-0.3 -19,-0.1 1,-0.1 -1,-0.1 -0.054 64.2 83.5 -97.3-160.0 6.0 50.2 1.6 80 78 A G + 0 0 42 1,-0.2 2,-1.3 -2,-0.0 -1,-0.1 0.716 55.5 163.2 74.1 25.1 2.3 50.7 2.2 81 79 A F - 0 0 36 -3,-0.1 -1,-0.2 4,-0.1 22,-0.0 -0.611 13.0-177.4 -87.8 90.0 1.9 47.2 3.7 82 80 A T > - 0 0 67 -2,-1.3 4,-2.4 1,-0.1 5,-0.1 -0.169 42.9-108.3 -68.3 170.6 -1.3 47.0 5.7 83 81 A A H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.696 125.5 55.7 -72.6 -23.0 -2.3 43.8 7.6 84 82 A E H > S+ 0 0 166 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.780 109.4 45.0 -78.6 -31.4 -4.9 43.3 4.9 85 83 A R H > S+ 0 0 58 2,-0.2 4,-1.6 3,-0.1 -2,-0.2 0.898 113.7 51.9 -72.2 -44.8 -2.0 43.4 2.3 86 84 A F H X S+ 0 0 51 -4,-2.4 4,-2.0 2,-0.2 3,-0.3 0.927 108.1 48.2 -58.1 -50.7 0.0 41.1 4.6 87 85 A Q H X S+ 0 0 118 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.911 106.5 58.4 -60.6 -43.6 -2.7 38.5 5.0 88 86 A Q H X S+ 0 0 80 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.872 105.9 50.3 -49.1 -43.4 -3.2 38.5 1.2 89 87 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.920 111.7 45.8 -63.9 -47.8 0.4 37.6 0.8 90 88 A E H X S+ 0 0 88 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.844 111.4 54.0 -61.5 -38.1 0.2 34.7 3.3 91 89 A S H X S+ 0 0 56 -4,-3.1 4,-0.9 2,-0.2 3,-0.4 0.944 110.4 46.1 -58.6 -50.3 -3.1 33.6 1.5 92 90 A W H X S+ 0 0 49 -4,-2.5 4,-0.7 1,-0.2 3,-0.3 0.869 110.4 54.8 -59.5 -39.6 -1.2 33.5 -1.8 93 91 A L H < S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.757 92.9 69.6 -68.0 -27.5 1.7 31.6 -0.1 94 92 A V H < S+ 0 0 116 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.967 101.7 46.6 -52.3 -52.5 -0.6 28.9 1.2 95 93 A A H < S+ 0 0 75 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.712 120.2 40.9 -65.4 -25.7 -1.1 27.7 -2.4 96 94 A K S < S+ 0 0 71 -4,-0.7 3,-0.3 -3,-0.2 -1,-0.3 -0.774 72.2 176.3-127.0 87.8 2.7 27.9 -3.1 97 95 A P + 0 0 96 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.231 66.6 51.7 -73.8 179.6 4.9 26.6 -0.3 98 96 A N S S+ 0 0 138 1,-0.2 2,-0.4 -2,-0.0 -25,-0.1 0.821 88.0 113.6 52.9 31.4 8.7 26.5 -0.8 99 97 A T - 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