==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-NOV-04 1XXU . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN RV2238C/MT2298; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.LI,N.A.PETERSON,M.Y.KIM,C.Y.KIM,L.W.HUNG,M.YU,T.LEKIN, . 612 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 46 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.6 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 4 0 0 0 0 3 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 PARALLEL BRIDGES PER LADDER . 5 6 4 4 2 2 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 . 5 0 0 1 0 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 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 M 0 0 93 0, 0.0 104,-0.3 0, 0.0 103,-0.1 0.000 360.0 360.0 360.0 128.6 -5.2 26.6 7.9 2 2 A L - 0 0 50 102,-2.0 2,-0.2 1,-0.1 3,-0.1 -0.295 360.0-137.5 -58.8 141.1 -3.2 28.7 5.4 3 3 A N > - 0 0 114 1,-0.2 3,-2.1 127,-0.0 124,-0.2 -0.586 29.7 -71.0-104.4 170.0 -0.6 30.7 7.2 4 4 A V T 3 S+ 0 0 77 1,-0.3 124,-0.2 -2,-0.2 -1,-0.2 -0.206 117.8 36.9 -51.3 137.3 0.6 34.3 6.8 5 5 A G T 3 S+ 0 0 50 122,-3.5 -1,-0.3 1,-0.4 123,-0.1 0.108 87.5 121.9 103.0 -20.0 2.5 34.9 3.6 6 6 A A S < S- 0 0 28 -3,-2.1 121,-3.5 121,-0.2 -1,-0.4 -0.400 70.9-111.0 -76.3 152.8 0.4 32.5 1.5 7 7 A T B -A 126 0A 103 119,-0.2 119,-0.2 -3,-0.1 118,-0.1 -0.675 41.0-113.6 -79.7 136.7 -1.4 33.8 -1.6 8 8 A A - 0 0 9 117,-2.6 96,-0.1 -2,-0.4 -1,-0.1 -0.618 28.9-108.9 -79.6 126.0 -5.1 33.8 -0.8 9 9 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.300 38.0-125.1 -50.8 129.9 -7.2 31.3 -2.8 10 10 A D - 0 0 69 13,-0.1 2,-0.3 12,-0.1 12,-0.0 -0.410 35.7-176.9 -77.2 153.3 -9.3 33.4 -5.2 11 11 A F - 0 0 10 -2,-0.1 12,-1.6 2,-0.1 2,-0.4 -0.998 29.6-154.0-152.6 157.9 -13.0 32.8 -5.2 12 12 A T E +B 22 0B 82 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.970 32.5 163.4-129.5 111.0 -16.3 33.8 -6.8 13 13 A L E -B 21 0B 19 8,-2.7 8,-2.7 -2,-0.4 2,-0.3 -0.963 38.4-111.7-132.8 151.7 -19.3 33.4 -4.4 14 14 A R E -B 20 0B 129 78,-0.5 78,-2.5 -2,-0.3 6,-0.2 -0.604 30.7-144.9 -79.1 136.7 -22.9 34.7 -4.3 15 15 A D > - 0 0 22 4,-3.1 3,-2.0 -2,-0.3 76,-0.2 -0.195 42.8 -77.0 -87.8-171.0 -23.7 37.2 -1.6 16 16 A Q T 3 S+ 0 0 17 74,-0.5 62,-0.2 1,-0.3 75,-0.1 0.576 132.8 51.5 -67.5 -9.3 -27.1 37.4 0.2 17 17 A N T 3 S- 0 0 79 2,-0.1 -1,-0.3 60,-0.1 3,-0.1 0.139 121.6-103.4-110.9 15.8 -28.7 39.1 -2.7 18 18 A Q S < S+ 0 0 130 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.690 77.0 140.8 70.6 21.0 -27.5 36.5 -5.3 19 19 A Q - 0 0 117 1,-0.0 -4,-3.1 -6,-0.0 2,-0.4 -0.685 55.6-112.1 -94.8 149.8 -24.8 38.8 -6.5 20 20 A L E -B 14 0B 104 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.676 30.2-171.5 -85.1 131.6 -21.3 37.6 -7.4 21 21 A V E -B 13 0B 16 -8,-2.7 -8,-2.7 -2,-0.4 2,-0.4 -0.992 1.4-170.2-125.2 127.7 -18.5 38.6 -5.2 22 22 A T E > -B 12 0B 33 -2,-0.4 3,-1.0 -10,-0.2 4,-0.3 -0.968 23.1-145.7-121.9 131.0 -14.8 37.9 -6.2 23 23 A L G > S+ 0 0 12 -12,-1.6 3,-2.4 -2,-0.4 4,-0.5 0.896 100.4 65.2 -59.0 -38.8 -11.8 38.4 -4.0 24 24 A R G > S+ 0 0 131 -13,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.827 86.6 71.6 -54.2 -32.8 -9.8 39.3 -7.0 25 25 A G G < S+ 0 0 63 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.685 96.2 50.4 -60.9 -19.2 -12.0 42.4 -7.4 26 26 A Y G X> S+ 0 0 54 -3,-2.4 3,-2.5 -4,-0.3 4,-2.4 0.554 80.0 122.0 -94.1 -10.8 -10.3 44.0 -4.4 27 27 A R T <4 S+ 0 0 150 -3,-1.6 97,-0.2 -4,-0.5 96,-0.1 -0.265 84.9 8.5 -53.9 134.7 -6.8 43.4 -5.5 28 28 A G T 34 S+ 0 0 63 95,-2.9 -1,-0.3 2,-0.1 95,-0.1 0.365 130.3 60.3 75.2 -6.9 -4.9 46.7 -5.8 29 29 A A T <4 S+ 0 0 54 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.775 104.0 10.8-118.1 -48.3 -7.8 48.5 -4.1 30 30 A K < - 0 0 68 -4,-2.4 -1,-0.3 92,-0.1 2,-0.3 -0.975 59.1-121.1-140.5 151.6 -8.5 47.3 -0.6 31 31 A N E -c 64 0C 2 32,-2.5 34,-1.9 -2,-0.3 2,-0.5 -0.658 40.9-140.9 -79.6 147.4 -7.2 45.0 2.1 32 32 A V E -cD 65 121C 2 89,-3.2 89,-2.7 -2,-0.3 2,-0.6 -0.957 12.1-154.3-121.9 127.4 -9.9 42.4 2.8 33 33 A L E -cD 66 120C 0 32,-3.1 34,-3.2 -2,-0.5 2,-0.6 -0.851 14.0-161.7 -96.5 121.1 -11.0 40.9 6.1 34 34 A L E -cD 67 119C 0 85,-3.0 85,-1.7 -2,-0.6 2,-0.8 -0.906 5.4-171.2-105.0 117.0 -12.4 37.4 5.6 35 35 A V E -cD 68 118C 0 32,-2.7 34,-2.8 -2,-0.6 2,-0.3 -0.864 4.3-166.3-112.4 100.7 -14.5 36.2 8.5 36 36 A F E +c 69 0C 0 81,-2.4 34,-0.2 -2,-0.8 32,-0.0 -0.611 11.9 178.6 -81.6 144.8 -15.4 32.5 8.1 37 37 A F - 0 0 0 32,-2.5 77,-0.4 -2,-0.3 34,-0.3 -0.996 28.5-129.6-145.1 150.3 -18.2 31.3 10.5 38 38 A P S S- 0 0 27 0, 0.0 33,-0.6 0, 0.0 76,-0.4 0.994 75.9 -3.3 -65.0 -65.2 -20.0 28.0 10.9 39 39 A L > - 0 0 28 31,-0.1 3,-0.7 74,-0.1 6,-0.2 -0.993 61.6-120.3-142.6 135.8 -23.7 28.5 10.8 40 40 A A T 3 S+ 0 0 4 -2,-0.4 3,-0.1 1,-0.2 37,-0.1 -0.222 97.0 32.3 -60.7 156.7 -26.2 31.3 10.6 41 41 A F T 3 S+ 0 0 30 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.714 90.5 122.8 63.6 27.3 -28.6 31.6 13.5 42 42 A T <> - 0 0 39 -3,-0.7 4,-1.2 1,-0.1 -1,-0.2 -0.903 67.1-117.1-118.6 151.3 -26.2 30.4 16.2 43 43 A G H > S+ 0 0 60 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.830 100.3 47.7 -49.0 -53.9 -25.1 32.1 19.4 44 44 A I H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 116.6 37.4 -62.5 -55.0 -21.3 32.6 19.0 45 45 A C H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.683 110.0 64.1 -74.9 -14.6 -21.0 34.0 15.4 46 46 A Q H X S+ 0 0 47 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.961 107.3 42.4 -68.1 -49.4 -24.1 36.1 16.0 47 47 A G H X S+ 0 0 32 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.901 114.9 52.6 -60.3 -39.8 -22.3 37.9 18.7 48 48 A E H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.908 112.8 41.2 -62.4 -46.8 -19.2 38.1 16.5 49 49 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.752 109.3 60.0 -73.8 -27.1 -21.0 39.6 13.4 50 50 A D H X S+ 0 0 38 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.878 105.1 49.9 -65.8 -38.1 -23.0 41.9 15.7 51 51 A Q H X S+ 0 0 56 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.940 110.6 49.8 -64.3 -46.5 -19.6 43.3 16.8 52 52 A L H >< S+ 0 0 0 -4,-1.6 3,-0.5 2,-0.2 -2,-0.2 0.911 110.2 49.9 -57.4 -45.9 -18.6 43.7 13.2 53 53 A R H >< S+ 0 0 24 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.937 110.5 50.4 -58.1 -48.8 -21.9 45.5 12.4 54 54 A D H 3< S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.692 120.2 35.7 -64.6 -20.7 -21.4 47.9 15.3 55 55 A H T XX S+ 0 0 45 -4,-1.1 3,-2.3 -3,-0.5 4,-0.5 0.119 77.3 132.4-118.3 23.3 -17.9 48.7 14.1 56 56 A L H X> + 0 0 14 -3,-1.4 4,-3.0 1,-0.3 3,-1.4 0.728 62.0 65.2 -47.8 -37.3 -18.5 48.6 10.4 57 57 A P H 34 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.702 100.7 53.2 -60.4 -22.0 -16.7 51.9 9.5 58 58 A E H <4 S+ 0 0 86 -3,-2.3 -2,-0.2 -6,-0.2 3,-0.2 0.656 119.7 32.9 -86.9 -13.4 -13.5 50.3 10.6 59 59 A F H << S+ 0 0 0 -3,-1.4 2,-0.5 -4,-0.5 -26,-0.3 0.690 118.8 46.2-113.4 -29.1 -14.0 47.4 8.3 60 60 A E S < S+ 0 0 85 -4,-3.0 -1,-0.2 5,-0.2 5,-0.2 -0.869 85.3 100.9-122.3 92.7 -15.8 48.7 5.3 61 61 A N S S- 0 0 47 3,-2.1 -3,-0.1 -2,-0.5 -5,-0.0 -0.692 87.6 -58.6-147.5-159.4 -14.1 52.0 4.2 62 62 A D S S+ 0 0 138 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.741 133.3 32.5 -68.2 -24.5 -11.7 53.4 1.5 63 63 A D S S+ 0 0 68 1,-0.1 -32,-2.5 -33,-0.1 2,-0.3 0.591 119.6 43.9-109.5 -10.2 -8.9 51.1 2.6 64 64 A S E -c 31 0C 7 -34,-0.2 -3,-2.1 -32,-0.0 2,-0.3 -0.962 49.9-167.8-140.5 153.9 -10.7 48.0 3.7 65 65 A A E -c 32 0C 5 -34,-1.9 -32,-3.1 -2,-0.3 2,-0.4 -0.967 14.1-149.5-134.2 148.4 -13.5 45.6 2.9 66 66 A A E -c 33 0C 1 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.987 12.4-176.3-124.9 128.9 -15.1 42.9 5.1 67 67 A L E -c 34 0C 1 -34,-3.2 -32,-2.7 -2,-0.4 2,-0.4 -0.981 10.6-156.3-126.9 122.9 -16.6 39.6 3.8 68 68 A A E -ce 35 90C 0 21,-2.7 23,-3.3 -2,-0.4 2,-0.4 -0.757 17.0-169.6 -95.4 140.5 -18.3 37.0 6.0 69 69 A I E +ce 36 91C 0 -34,-2.8 -32,-2.5 -2,-0.4 2,-0.3 -0.993 18.2 145.6-136.5 137.3 -18.4 33.5 4.7 70 70 A S E - 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