==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-DEC-02 1NFR . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE RV2002; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.K.YANG,M.S.PARK,G.S.WALDO,S.W.SUH,TB STRUCTURAL GENOMICS . 976 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 754 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 156 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 0 0.0 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 . 62 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 341 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 0 0 1 1 7 7 0 0 4 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 4 8 8 4 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 . 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 0 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 S 0 0 130 0, 0.0 28,-0.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 110.7 28.3 19.9 21.4 2 3 A G > + 0 0 35 26,-0.4 3,-1.0 1,-0.1 28,-0.1 0.708 360.0 136.7 73.7 19.3 31.5 17.9 21.0 3 4 A R T 3 S+ 0 0 38 1,-0.3 218,-0.4 217,-0.0 219,-0.2 0.689 82.1 32.9 -71.3 -16.5 32.8 19.3 24.3 4 5 A L T > S+ 0 0 2 25,-2.8 3,-2.0 22,-0.1 -1,-0.3 0.113 86.5 150.1-122.9 19.7 34.0 15.8 25.1 5 6 A T T < S+ 0 0 95 -3,-1.0 26,-0.2 24,-0.3 25,-0.1 -0.279 70.5 15.4 -57.8 133.3 34.9 14.6 21.6 6 7 A G T 3 S+ 0 0 44 24,-0.9 2,-0.4 1,-0.3 -1,-0.3 0.378 98.9 121.8 85.0 -5.7 37.7 12.0 21.5 7 8 A K < - 0 0 7 -3,-2.0 25,-2.0 23,-0.2 2,-0.5 -0.758 48.0-156.2 -95.9 138.4 37.4 11.4 25.3 8 9 A V E -a 32 0A 5 -2,-0.4 74,-3.0 23,-0.2 75,-2.0 -0.953 17.3-172.3-112.7 128.6 36.7 7.9 26.7 9 10 A A E -ab 33 83A 2 23,-2.6 25,-2.4 -2,-0.5 2,-0.4 -0.790 19.9-149.3-122.4 164.0 35.1 7.7 30.1 10 11 A L E -ab 34 84A 0 73,-1.7 75,-2.7 -2,-0.3 2,-0.5 -0.997 14.3-168.9-131.1 124.0 34.2 5.0 32.7 11 12 A V E > -ab 35 85A 0 23,-2.2 25,-1.9 -2,-0.4 3,-0.7 -0.957 9.2-150.6-120.8 117.9 31.2 5.6 35.0 12 13 A S E 3 S+a 36 0A 2 73,-1.9 75,-0.4 -2,-0.5 25,-0.2 -0.620 82.7 15.6 -85.0 144.0 30.6 3.3 38.1 13 14 A G T > S+ 0 0 13 23,-1.7 3,-0.6 46,-0.3 6,-0.4 0.850 81.4 144.4 64.5 34.2 27.0 2.8 39.2 14 15 A G T < + 0 0 0 22,-1.8 23,-0.2 -3,-0.7 -1,-0.1 0.170 35.5 97.7 -92.4 21.1 25.8 4.1 35.9 15 16 A A T 3 S- 0 0 5 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.626 98.8 -16.9 -81.2 -15.7 22.8 1.8 35.6 16 17 A R S X> S+ 0 0 118 -3,-0.6 4,-1.4 27,-0.0 3,-0.6 -0.932 106.9 34.3-167.6-174.5 20.3 4.3 37.0 17 18 A G H >> S- 0 0 26 -2,-0.3 4,-1.7 1,-0.2 3,-0.5 -0.073 119.6 -18.6 52.6-149.4 20.1 7.6 38.9 18 19 A X H 3> S+ 0 0 33 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.842 134.6 62.9 -57.6 -36.1 22.8 10.2 38.4 19 20 A G H <> S+ 0 0 0 -3,-0.6 4,-2.0 -6,-0.4 -5,-0.2 0.909 105.1 45.0 -56.7 -45.2 25.2 7.7 37.0 20 21 A A H S+ 0 0 1 -4,-2.7 5,-2.4 -5,-0.2 3,-0.4 0.851 110.4 52.2 -68.1 -34.8 28.7 12.7 28.3 27 28 A V H ><5S+ 0 0 33 -4,-2.2 3,-2.3 1,-0.2 -1,-0.2 0.926 105.1 57.6 -64.6 -42.3 27.6 10.7 25.2 28 29 A A H 3<5S+ 0 0 76 -4,-2.3 -26,-0.4 1,-0.3 -1,-0.2 0.755 104.6 53.0 -58.4 -24.7 25.7 13.8 24.1 29 30 A E T 3<5S- 0 0 36 -4,-0.7 -25,-2.8 -3,-0.4 -24,-0.3 0.267 129.7 -92.4 -96.7 12.2 28.9 15.7 24.2 30 31 A G T < 5S+ 0 0 24 -3,-2.3 -24,-0.9 1,-0.3 -3,-0.2 0.515 79.9 137.1 94.8 5.7 30.8 13.3 22.0 31 32 A A < - 0 0 1 -5,-2.4 2,-0.5 -26,-0.2 -1,-0.3 -0.559 50.5-134.3 -87.7 151.3 32.3 10.9 24.6 32 33 A K E -a 8 0A 75 -25,-2.0 -23,-2.6 -28,-0.2 2,-0.4 -0.880 32.2-159.2 -98.2 133.7 32.5 7.2 24.3 33 34 A V E -ac 9 54A 0 20,-3.0 22,-2.2 -2,-0.5 2,-0.5 -0.958 25.1-170.7-130.3 133.8 31.4 5.7 27.7 34 35 A V E -ac 10 55A 0 -25,-2.4 -23,-2.2 -2,-0.4 2,-0.4 -0.955 22.0-174.2-109.5 129.7 31.8 2.4 29.4 35 36 A F E -ac 11 56A 0 20,-2.7 22,-1.7 -2,-0.5 2,-0.3 -0.995 5.4-163.5-133.4 133.7 29.6 2.2 32.5 36 37 A G E +ac 12 57A 0 -25,-1.9 -22,-1.8 -2,-0.4 -23,-1.7 -0.783 19.5 139.6-115.4 159.5 29.4 -0.5 35.2 37 38 A D E - c 0 58A 18 20,-1.3 22,-2.8 -2,-0.3 3,-0.1 -0.922 54.9-108.0-169.9-170.9 27.0 -1.4 37.9 38 39 A I S S+ 0 0 91 -2,-0.3 2,-0.8 20,-0.2 3,-0.2 0.238 96.7 86.7-118.9 4.9 25.3 -4.4 39.6 39 40 A L > + 0 0 39 1,-0.2 4,-2.7 2,-0.1 5,-0.1 -0.679 54.6 169.4-106.2 73.0 21.9 -3.8 38.0 40 41 A D H > + 0 0 53 -2,-0.8 4,-3.6 2,-0.2 5,-0.3 0.840 69.2 54.0 -54.5 -44.9 22.6 -5.7 34.9 41 42 A E H > S+ 0 0 115 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.982 116.4 38.2 -56.3 -59.1 19.1 -5.8 33.5 42 43 A E H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.870 116.5 55.3 -59.2 -37.2 18.8 -2.0 33.7 43 44 A G H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.939 110.7 42.2 -62.6 -48.6 22.4 -1.8 32.6 44 45 A K H X S+ 0 0 124 -4,-3.6 4,-1.1 1,-0.2 -2,-0.2 0.883 109.6 61.5 -66.1 -37.0 21.8 -3.8 29.4 45 46 A A H >X S+ 0 0 65 -4,-2.7 4,-0.7 -5,-0.3 3,-0.5 0.937 112.0 34.0 -55.6 -53.1 18.6 -2.0 28.8 46 47 A X H 3X S+ 0 0 9 -4,-2.0 4,-1.0 1,-0.2 3,-0.4 0.786 108.9 65.3 -76.5 -26.1 20.2 1.5 28.4 47 48 A A H 3< S+ 0 0 16 -4,-1.7 -1,-0.2 -5,-0.3 7,-0.2 0.760 97.9 60.0 -64.8 -21.0 23.3 0.1 26.8 48 49 A A H X< S+ 0 0 73 -4,-1.1 3,-0.5 -3,-0.5 -1,-0.2 0.869 104.1 45.9 -73.7 -38.1 21.0 -0.9 24.0 49 50 A E H 3< S+ 0 0 116 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.606 122.9 36.5 -80.4 -12.7 19.9 2.7 23.3 50 51 A L T >X S+ 0 0 29 -4,-1.0 4,-2.1 1,-0.1 3,-1.7 0.170 78.3 134.7-121.3 12.9 23.5 4.0 23.4 51 52 A A T <4 + 0 0 53 -3,-0.5 -2,-0.1 1,-0.3 -1,-0.1 0.663 69.3 50.5 -35.9 -35.9 25.0 0.9 21.8 52 53 A D T 34 S+ 0 0 159 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.836 124.4 24.3 -80.5 -31.0 27.2 2.9 19.4 53 54 A A T <4 S+ 0 0 21 -3,-1.7 -20,-3.0 -6,-0.1 2,-0.3 0.429 120.4 52.6-112.8 -0.7 28.8 5.2 21.9 54 55 A A E < -c 33 0A 2 -4,-2.1 2,-0.3 -22,-0.2 -20,-0.2 -0.910 52.0-163.8-137.1 163.7 28.5 3.2 25.1 55 56 A R E -c 34 0A 95 -22,-2.2 -20,-2.7 -2,-0.3 2,-0.3 -0.981 13.6-146.4-146.2 129.9 29.2 -0.2 26.7 56 57 A Y E +c 35 0A 36 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.703 18.7 178.8 -95.5 150.5 27.7 -1.7 29.9 57 58 A V E -c 36 0A 21 -22,-1.7 -20,-1.3 -2,-0.3 2,-0.5 -0.987 35.3-112.2-147.2 144.7 29.8 -4.0 32.1 58 59 A H E +c 37 0A 89 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.724 47.2 172.3 -78.9 126.7 28.9 -5.7 35.4 59 60 A L - 0 0 4 -22,-2.8 2,-0.8 -2,-0.5 -46,-0.3 -0.903 27.7-168.5-146.3 114.0 31.1 -4.0 38.0 60 61 A D > - 0 0 36 -2,-0.3 3,-2.6 3,-0.1 6,-0.3 -0.902 21.3-147.9 -97.2 111.7 31.1 -4.3 41.7 61 62 A V T 3 S+ 0 0 9 -2,-0.8 56,-0.1 1,-0.3 -1,-0.1 0.633 94.0 65.5 -58.9 -13.2 33.3 -1.5 42.8 62 63 A T T 3 S+ 0 0 29 1,-0.1 -1,-0.3 55,-0.1 48,-0.0 0.549 90.1 77.8 -85.5 -4.9 34.5 -3.5 45.8 63 64 A Q X> - 0 0 75 -3,-2.6 4,-1.5 1,-0.2 3,-1.0 -0.858 60.1-168.6-107.6 102.6 36.2 -6.0 43.4 64 65 A P H 3> S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.860 89.1 61.1 -58.8 -30.8 39.5 -4.8 41.9 65 66 A A H 3> S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.860 106.4 46.8 -61.8 -34.7 39.4 -7.7 39.4 66 67 A Q H <> S+ 0 0 51 -3,-1.0 4,-1.5 -6,-0.3 -1,-0.2 0.777 108.4 54.9 -77.6 -28.3 36.1 -6.2 38.0 67 68 A W H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.922 107.7 49.8 -69.0 -44.2 37.5 -2.7 37.9 68 69 A K H X S+ 0 0 125 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.892 110.7 49.6 -61.6 -39.6 40.4 -3.9 35.8 69 70 A A H X S+ 0 0 52 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.836 108.3 53.7 -67.3 -34.1 38.0 -5.7 33.4 70 71 A A H X S+ 0 0 2 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.881 111.4 46.4 -67.3 -37.8 35.9 -2.5 33.2 71 72 A V H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.920 108.1 53.4 -70.8 -46.7 39.1 -0.6 32.2 72 73 A D H X S+ 0 0 69 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.865 106.9 55.7 -57.3 -35.1 40.3 -3.2 29.6 73 74 A T H X S+ 0 0 43 -4,-1.6 4,-2.8 2,-0.2 5,-0.4 0.932 108.7 45.5 -62.3 -47.3 36.8 -2.9 28.0 74 75 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 6,-0.9 0.907 115.5 47.5 -62.5 -44.3 37.2 0.9 27.6 75 76 A V H X S+ 0 0 49 -4,-2.6 4,-1.5 4,-0.2 -2,-0.2 0.923 118.9 37.4 -65.8 -46.2 40.7 0.6 26.3 76 77 A T H < S+ 0 0 116 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.911 121.9 43.9 -74.4 -41.7 40.0 -2.2 23.7 77 78 A A H < S+ 0 0 35 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.911 133.3 16.7 -69.7 -42.9 36.6 -0.9 22.7 78 79 A F H < S- 0 0 44 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.431 104.4-107.9-114.3 0.0 37.4 2.7 22.4 79 80 A G S < S- 0 0 66 -4,-1.5 2,-0.3 -5,-0.3 -4,-0.2 0.323 82.4 -12.5 94.1 -10.0 41.2 2.9 22.2 80 81 A G - 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