==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING/TRANSFERASE 15-SEP-10 3OUN . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN TB39.8; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.L.GEE,T.ALBER . 348 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0.3 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 . 31 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 1 0 0 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 5 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 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 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 19 A S 0 0 114 0, 0.0 2,-0.4 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 131.1 -26.5 39.1 -23.8 2 20 A V - 0 0 16 14,-0.2 14,-2.5 75,-0.0 2,-0.4 -0.971 360.0-168.9-130.9 125.7 -26.2 35.5 -25.2 3 21 A T E -A 15 0A 22 88,-0.7 88,-3.3 -2,-0.4 2,-0.5 -0.927 10.4-150.2-117.7 135.6 -28.6 32.5 -25.2 4 22 A L E -AB 14 90A 0 10,-2.8 10,-2.1 -2,-0.4 2,-0.5 -0.888 12.8-155.8-103.6 131.7 -27.9 28.9 -26.2 5 23 A Q E -AB 13 89A 50 84,-3.3 84,-2.7 -2,-0.5 2,-0.5 -0.930 10.5-138.9-114.0 120.5 -30.7 26.9 -27.7 6 24 A L E > - B 0 88A 7 6,-2.4 2,-1.1 -2,-0.5 5,-0.5 -0.644 14.4-150.6 -77.5 123.7 -30.8 23.1 -27.5 7 25 A D T 5 + 0 0 84 80,-2.8 -1,-0.1 -2,-0.5 81,-0.1 -0.526 64.3 102.7-101.6 68.8 -32.1 21.9 -30.8 8 26 A D T 5S- 0 0 96 -2,-1.1 -1,-0.2 4,-0.1 -2,-0.0 0.101 100.2 -98.3-131.4 16.7 -33.8 18.6 -29.9 9 27 A G T 5S+ 0 0 84 -3,-0.3 -2,-0.1 3,-0.1 -3,-0.0 0.410 104.8 105.3 75.2 -3.2 -37.4 19.8 -30.0 10 28 A S T 5S- 0 0 58 -4,-0.1 3,-0.1 2,-0.1 -3,-0.1 0.711 75.2-144.8 -77.4 -22.4 -37.2 20.2 -26.2 11 29 A G < + 0 0 57 -5,-0.5 2,-0.1 1,-0.2 -4,-0.1 0.551 41.9 154.6 68.2 7.3 -37.0 23.9 -26.6 12 30 A R - 0 0 95 -6,-0.1 -6,-2.4 -7,-0.1 2,-0.3 -0.430 17.9-178.8 -64.6 138.3 -34.7 24.2 -23.6 13 31 A T E -A 5 0A 68 -8,-0.2 2,-0.4 -2,-0.1 -8,-0.2 -0.917 16.1-157.5-134.6 164.1 -32.4 27.2 -23.5 14 32 A Y E -A 4 0A 20 -10,-2.1 -10,-2.8 -2,-0.3 2,-0.4 -0.965 10.6-145.3-144.2 124.1 -29.7 28.6 -21.3 15 33 A Q E -A 3 0A 102 -2,-0.4 -12,-0.2 -12,-0.2 2,-0.1 -0.746 31.7-112.3 -87.8 135.7 -28.6 32.2 -21.0 16 34 A L - 0 0 6 -14,-2.5 2,-0.3 -2,-0.4 -14,-0.2 -0.394 26.7-149.5 -66.9 140.6 -24.9 32.6 -20.3 17 35 A R - 0 0 153 -2,-0.1 30,-0.3 1,-0.1 32,-0.1 -0.814 34.7 -86.9-107.0 152.3 -23.9 34.0 -16.9 18 36 A E S S+ 0 0 141 -2,-0.3 2,-0.3 28,-0.1 30,-0.2 -0.327 98.9 13.5 -59.5 140.0 -20.7 36.0 -16.5 19 37 A G E S+F 47 0B 35 28,-2.9 28,-1.7 2,-0.1 2,-0.4 -0.743 116.7 4.7 97.7-144.8 -17.7 33.8 -15.8 20 38 A S E -F 46 0B 60 -2,-0.3 2,-0.5 26,-0.2 26,-0.2 -0.634 51.9-177.3 -84.6 127.2 -17.6 30.1 -16.4 21 39 A N E -F 45 0B 0 24,-1.1 24,-2.2 -2,-0.4 2,-0.4 -0.914 14.9-155.4-121.6 105.5 -20.5 28.2 -17.9 22 40 A I E -F 44 0B 9 -2,-0.5 8,-1.8 22,-0.2 9,-1.7 -0.642 4.4-162.3 -81.0 128.5 -19.8 24.4 -18.0 23 41 A I E +Fg 43 31B 1 20,-3.4 20,-2.6 -2,-0.4 19,-1.3 -0.958 38.3 101.0-109.8 123.8 -21.7 22.4 -20.6 24 42 A G E S- g 0 32B 0 7,-1.5 9,-2.2 -2,-0.5 16,-0.3 -0.980 76.4 -91.2-176.1-175.8 -21.9 18.7 -20.1 25 43 A R S S+ 0 0 9 14,-2.3 15,-0.3 -2,-0.3 16,-0.1 0.686 86.8 100.8 -87.8 -20.8 -23.8 15.6 -19.0 26 44 A G S > S- 0 0 3 14,-1.7 3,-1.0 13,-0.3 -2,-0.2 0.025 84.8-104.3 -70.5 173.2 -22.5 15.7 -15.4 27 45 A Q T 3 S+ 0 0 36 1,-0.3 -1,-0.1 311,-0.2 5,-0.1 0.769 112.8 50.9 -75.6 -25.9 -24.3 16.9 -12.3 28 46 A D T 3 S+ 0 0 104 12,-0.1 2,-0.3 3,-0.1 -1,-0.3 -0.136 78.7 122.3-106.1 41.1 -22.5 20.3 -11.9 29 47 A A < - 0 0 16 -3,-1.0 3,-0.3 1,-0.1 -6,-0.2 -0.734 61.0-140.3 -89.8 146.2 -22.9 21.5 -15.4 30 48 A Q S S+ 0 0 85 -8,-1.8 2,-0.5 -2,-0.3 -7,-0.2 0.877 101.4 27.8 -71.8 -39.1 -24.6 24.9 -15.8 31 49 A F E S-g 23 0B 9 -9,-1.7 -7,-1.5 -17,-0.1 2,-0.4 -0.954 89.1-157.0-125.1 108.3 -26.4 23.5 -18.9 32 50 A R E -g 24 0B 79 -2,-0.5 -7,-0.3 -3,-0.3 -9,-0.1 -0.733 8.6-166.0 -99.3 129.1 -26.8 19.7 -18.6 33 51 A L - 0 0 1 -9,-2.2 2,-1.8 -2,-0.4 5,-0.1 -0.950 16.0-150.2-117.0 121.2 -27.3 17.3 -21.6 34 52 A P + 0 0 111 0, 0.0 2,-0.6 0, 0.0 -9,-0.1 -0.277 54.9 131.0 -78.9 48.9 -28.4 13.7 -21.1 35 53 A D > - 0 0 20 -2,-1.8 3,-2.0 1,-0.1 -2,-0.1 -0.934 54.5-147.8-109.5 116.6 -26.5 12.6 -24.2 36 54 A T T 3 S+ 0 0 90 -2,-0.6 307,-2.5 1,-0.3 -1,-0.1 0.726 98.3 53.8 -58.5 -22.6 -24.4 9.6 -23.5 37 55 A G T 3 S+ 0 0 0 305,-0.2 47,-0.4 46,-0.1 2,-0.4 0.592 90.7 91.3 -89.1 -11.6 -21.8 10.7 -26.0 38 56 A V S < S- 0 0 0 -3,-2.0 305,-0.2 45,-0.2 -14,-0.1 -0.687 83.4-118.0 -84.1 135.8 -21.5 14.1 -24.3 39 57 A S > - 0 0 2 -2,-0.4 -14,-2.3 23,-0.1 3,-0.5 -0.347 17.8-116.4 -72.5 153.6 -18.8 14.2 -21.6 40 58 A R T 3 S+ 0 0 91 1,-0.3 -14,-1.7 -16,-0.3 2,-0.5 0.913 119.0 21.6 -55.7 -47.1 -19.7 15.0 -18.0 41 59 A R T 3 S+ 0 0 136 -17,-0.2 -1,-0.3 -16,-0.1 -17,-0.2 -0.915 87.3 158.6-116.4 97.8 -17.6 18.2 -18.2 42 60 A H < - 0 0 0 -19,-1.3 15,-2.0 -3,-0.5 17,-0.4 0.925 54.7 -9.6 -95.2 -54.5 -17.7 18.6 -22.0 43 61 A L E -FH 23 56B 2 -20,-2.6 -20,-3.4 13,-0.2 2,-0.4 -0.982 53.6-140.0-142.4 161.4 -17.0 22.2 -22.8 44 62 A E E -FH 22 55B 34 11,-3.0 11,-3.0 -2,-0.3 2,-0.5 -0.975 7.3-163.3-117.8 136.5 -16.6 25.6 -21.0 45 63 A I E -FH 21 54B 0 -24,-2.2 -24,-1.1 -2,-0.4 2,-0.3 -0.965 9.7-158.5-116.0 110.8 -17.9 28.9 -22.3 46 64 A R E -FH 20 53B 161 7,-2.5 7,-2.9 -2,-0.5 2,-0.4 -0.712 12.0-170.0 -84.0 137.0 -16.4 31.9 -20.6 47 65 A W E +FH 19 52B 25 -28,-1.7 -28,-2.9 -2,-0.3 5,-0.2 -0.995 22.5 173.4-134.8 134.1 -18.5 35.1 -20.9 48 66 A D - 0 0 92 3,-0.8 4,-0.1 -2,-0.4 -30,-0.1 0.091 68.1 -87.3-126.3 20.6 -17.5 38.6 -19.9 49 67 A G S S+ 0 0 25 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.261 123.6 38.9 92.9 -11.0 -20.5 40.6 -21.2 50 68 A Q S S+ 0 0 164 1,-0.3 2,-0.5 -48,-0.0 -1,-0.1 0.596 110.6 44.1-131.0 -48.3 -19.0 40.9 -24.7 51 69 A V - 0 0 46 2,-0.0 -3,-0.8 25,-0.0 2,-0.7 -0.935 55.6-157.9-121.3 120.2 -17.2 37.8 -25.8 52 70 A A E -H 47 0B 4 -2,-0.5 23,-2.7 23,-0.4 2,-0.6 -0.884 17.6-167.4 -94.1 113.0 -18.4 34.2 -25.4 53 71 A L E -HI 46 74B 52 -7,-2.9 -7,-2.5 -2,-0.7 2,-0.3 -0.910 4.4-155.9-109.4 111.9 -15.2 32.1 -25.6 54 72 A L E -HI 45 73B 0 19,-3.3 19,-2.4 -2,-0.6 2,-0.4 -0.627 11.5-176.7 -86.7 140.3 -15.8 28.3 -26.0 55 73 A A E -HI 44 72B 15 -11,-3.0 -11,-3.0 -2,-0.3 2,-0.5 -0.963 25.1-131.1-141.5 126.2 -13.3 25.7 -24.9 56 74 A D E -H 43 0B 14 15,-2.0 2,-1.7 -2,-0.4 -13,-0.2 -0.600 17.9-143.7 -72.4 120.0 -13.4 21.9 -25.3 57 75 A L - 0 0 40 -15,-2.0 -16,-0.1 -2,-0.5 -1,-0.1 -0.255 59.3 -78.6 -84.4 50.5 -12.5 20.4 -21.9 58 76 A N S S- 0 0 154 -2,-1.7 -1,-0.2 1,-0.1 -15,-0.1 0.914 72.9-168.3 58.8 44.4 -10.6 17.5 -23.3 59 77 A S - 0 0 13 -17,-0.4 -1,-0.1 1,-0.1 4,-0.1 -0.211 29.2-121.0 -67.4 156.8 -13.9 15.8 -24.1 60 78 A T S S+ 0 0 65 1,-0.2 -1,-0.1 2,-0.1 -22,-0.1 0.898 109.4 24.7 -62.7 -41.1 -14.0 12.2 -25.2 61 79 A N S S- 0 0 43 -24,-0.3 -1,-0.2 1,-0.2 -23,-0.1 0.469 105.5-128.4-110.5 -4.3 -15.6 12.9 -28.5 62 80 A G - 0 0 26 -20,-0.1 22,-0.4 21,-0.0 2,-0.3 -0.201 15.7 -97.8 87.7-178.0 -14.7 16.5 -29.3 63 81 A T - 0 0 5 7,-0.5 7,-2.7 20,-0.1 2,-0.4 -0.995 26.2-165.4-144.5 133.7 -16.7 19.5 -30.2 64 82 A T E -CD 69 82A 36 18,-1.8 18,-2.6 -2,-0.3 2,-0.4 -0.921 5.9-158.2-116.3 150.4 -17.4 21.1 -33.6 65 83 A V E > S-CD 68 81A 3 3,-2.8 3,-1.5 -2,-0.4 16,-0.2 -1.000 84.2 -5.9-122.9 129.7 -18.7 24.5 -34.3 66 84 A N T 3 S- 0 0 78 14,-2.8 -1,-0.1 -2,-0.4 15,-0.1 0.900 132.4 -56.4 51.4 46.0 -20.3 25.0 -37.8 67 85 A N T 3 S+ 0 0 118 13,-0.4 -1,-0.3 1,-0.2 14,-0.1 0.624 117.6 108.5 64.0 16.6 -19.2 21.5 -38.7 68 86 A A E < S-C 65 0A 46 -3,-1.5 -3,-2.8 0, 0.0 -1,-0.2 -0.987 73.8-113.7-123.7 136.2 -15.5 22.2 -38.0 69 87 A P E -C 64 0A 114 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.381 39.7-172.1 -69.0 140.6 -13.7 20.7 -35.0 70 88 A V - 0 0 23 -7,-2.7 -7,-0.5 1,-0.1 3,-0.1 -0.898 33.0-179.1-130.1 158.6 -12.6 23.2 -32.4 71 89 A Q S S+ 0 0 114 1,-0.5 -15,-2.0 -2,-0.3 2,-0.4 0.536 88.9 8.7-109.6 -77.6 -10.5 23.5 -29.3 72 90 A E E S+I 55 0B 124 -17,-0.2 -1,-0.5 2,-0.0 2,-0.3 -0.852 78.5 168.2-101.8 139.4 -10.9 27.2 -28.4 73 91 A W E -I 54 0B 102 -19,-2.4 -19,-3.3 -2,-0.4 2,-0.6 -0.927 34.1-133.6-156.6 125.6 -13.4 29.3 -30.3 74 92 A Q E -I 53 0B 115 -2,-0.3 -21,-0.2 -21,-0.2 -29,-0.0 -0.704 36.8-131.0 -80.2 119.6 -15.1 32.7 -29.9 75 93 A L - 0 0 13 -23,-2.7 -23,-0.4 -2,-0.6 2,-0.3 -0.276 22.2-167.3 -73.6 153.3 -18.8 32.2 -30.5 76 94 A A > - 0 0 51 -25,-0.1 3,-2.2 14,-0.0 14,-0.2 -0.941 38.8 -80.4-133.0 159.1 -21.0 34.3 -32.8 77 95 A D T 3 S+ 0 0 128 -2,-0.3 14,-0.2 1,-0.3 -75,-0.0 -0.379 118.8 22.9 -57.0 127.1 -24.8 34.7 -33.2 78 96 A G T 3 S+ 0 0 48 12,-3.7 -1,-0.3 1,-0.3 13,-0.1 0.197 84.7 144.2 100.2 -15.9 -25.9 31.8 -35.3 79 97 A D < - 0 0 16 -3,-2.2 11,-2.2 11,-0.2 2,-0.5 -0.233 41.7-140.7 -55.4 142.8 -23.1 29.4 -34.6 80 98 A V E - 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