==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 11-APR-11 2LC1 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN TB39.8; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.P.BARTHE,M.M.COHEN-GONSAUD,C.C.ROUMESTAND . 100 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 39.0 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 . 3 3.0 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 . 26 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.0 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+4), 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 . 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 G 0 0 114 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 172.0 -6.9 -11.8 -8.1 2 2 A H + 0 0 191 1,-0.1 2,-1.3 3,-0.1 0, 0.0 -0.470 360.0 50.1-106.3 176.5 -10.6 -11.4 -7.7 3 3 A G S S+ 0 0 80 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 -0.452 120.4 26.7 92.6 -59.4 -13.2 -13.1 -5.5 4 4 A S S S- 0 0 104 -2,-1.3 2,-0.3 0, 0.0 0, 0.0 -0.971 74.6-154.8-134.1 144.4 -11.0 -12.7 -2.5 5 5 A A - 0 0 86 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.808 6.0-143.9-116.8 159.9 -8.5 -10.1 -1.7 6 6 A G - 0 0 58 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.103 65.2 -14.0 -95.9-144.4 -5.5 -10.1 0.6 7 7 A T - 0 0 61 93,-0.1 2,-0.7 1,-0.1 -1,-0.3 -0.398 66.7-157.6 -60.7 116.1 -4.0 -7.4 2.7 8 8 A S - 0 0 21 -2,-0.3 92,-3.2 -3,-0.1 2,-0.8 -0.897 1.2-157.6-102.6 115.5 -5.7 -4.2 1.5 9 9 A V E -A 99 0A 0 -2,-0.7 14,-2.6 14,-0.3 2,-0.5 -0.853 12.0-172.2 -98.4 110.3 -3.7 -1.1 2.4 10 10 A T E -AB 98 22A 19 88,-3.1 88,-2.8 -2,-0.8 2,-0.7 -0.881 14.4-146.5-106.1 126.1 -5.9 1.9 2.4 11 11 A L E -AB 97 21A 11 10,-3.2 10,-2.1 -2,-0.5 2,-0.8 -0.852 8.5-154.9 -93.1 115.0 -4.4 5.3 2.7 12 12 A Q E -AB 96 20A 86 84,-3.2 84,-2.9 -2,-0.7 2,-0.5 -0.856 18.4-168.9 -92.2 114.4 -6.7 7.5 4.6 13 13 A L E -AB 95 19A 25 6,-3.0 6,-2.4 -2,-0.8 2,-1.2 -0.871 22.6-138.0-113.3 130.7 -5.8 10.9 3.5 14 14 A D E +A 94 0A 85 80,-2.8 80,-0.5 -2,-0.5 -2,-0.0 -0.764 37.7 154.8 -88.7 100.0 -7.0 14.1 5.0 15 15 A D S S- 0 0 76 -2,-1.2 -1,-0.2 78,-0.1 80,-0.0 0.509 83.9 -77.6 -91.7 -13.5 -7.8 16.2 2.0 16 16 A G S S+ 0 0 61 -3,-0.2 -2,-0.1 3,-0.1 0, 0.0 -0.190 132.7 39.2 136.7 -37.9 -10.1 18.1 4.2 17 17 A S S S- 0 0 80 -4,-0.1 -3,-0.1 0, 0.0 0, 0.0 0.822 114.3-101.5-100.5 -53.2 -12.9 15.6 4.2 18 18 A G - 0 0 16 -5,-0.1 2,-0.2 2,-0.0 -4,-0.2 0.364 42.4-173.0 123.3 89.2 -11.0 12.3 4.4 19 19 A R E -B 13 0A 154 -6,-2.4 -6,-3.0 2,-0.0 2,-0.4 -0.657 12.7-138.2-103.7 167.0 -10.5 10.3 1.3 20 20 A T E -B 12 0A 95 -8,-0.2 2,-0.4 -2,-0.2 -8,-0.2 -0.976 15.0-176.5-130.6 138.8 -9.1 6.9 0.8 21 21 A Y E -B 11 0A 46 -10,-2.1 -10,-3.2 -2,-0.4 2,-0.4 -0.992 17.4-144.9-132.8 124.7 -6.8 5.4 -1.7 22 22 A Q E -B 10 0A 108 -2,-0.4 -12,-0.2 -12,-0.3 2,-0.1 -0.741 27.7-107.6 -92.5 140.0 -5.8 1.8 -1.8 23 23 A L - 0 0 7 -14,-2.6 -14,-0.3 -2,-0.4 2,-0.2 -0.418 29.0-137.2 -65.1 133.9 -2.3 0.9 -2.8 24 24 A R - 0 0 147 -2,-0.1 2,-0.6 1,-0.1 30,-0.4 -0.584 33.1 -94.1 -85.1 156.0 -2.1 -0.7 -6.2 25 25 A E S S+ 0 0 159 -2,-0.2 2,-0.3 28,-0.1 30,-0.2 -0.636 101.6 33.6 -76.2 116.6 0.2 -3.7 -6.6 26 26 A G E S-F 54 0B 33 28,-2.0 28,-3.4 -2,-0.6 2,-0.5 -0.891 115.1 -36.1 130.1-161.4 3.5 -2.3 -7.8 27 27 A S E -F 53 0B 64 -2,-0.3 2,-0.7 26,-0.3 26,-0.3 -0.855 48.8-154.5-105.5 131.3 4.9 1.0 -6.8 28 28 A N E -F 52 0B 4 24,-3.2 24,-2.4 -2,-0.5 2,-0.6 -0.884 10.4-156.3-103.2 110.3 2.7 4.0 -6.4 29 29 A I E -F 51 0B 20 -2,-0.7 9,-3.1 22,-0.2 8,-1.6 -0.836 6.9-163.6 -95.6 121.1 4.5 7.2 -7.0 30 30 A I E +Fg 50 38B 13 20,-3.4 19,-2.6 -2,-0.6 20,-2.0 -0.870 39.8 80.2-106.0 130.2 3.0 10.2 -5.3 31 31 A G S S- 0 0 0 7,-2.6 2,-0.8 -2,-0.4 9,-0.4 -0.957 80.8 -66.1 164.0-174.4 3.9 13.8 -6.3 32 32 A R S S+ 0 0 113 14,-2.4 2,-0.3 -2,-0.3 16,-0.1 -0.880 86.9 76.1-107.2 104.9 3.2 16.4 -8.8 33 33 A G S > S- 0 0 26 -2,-0.8 3,-0.6 14,-0.2 -2,-0.1 -0.935 84.6-104.9 175.7 169.3 4.4 15.4 -12.2 34 34 A Q T 3 S+ 0 0 193 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.596 122.0 64.6 -81.6 -14.2 3.7 13.2 -15.2 35 35 A D T 3 S+ 0 0 60 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.437 94.7 77.1 -84.9 -4.6 6.4 11.1 -13.7 36 36 A A < - 0 0 0 -3,-0.6 -6,-0.2 1,-0.1 -3,-0.1 -0.846 65.2-157.5-109.3 147.6 4.1 10.6 -10.7 37 37 A Q S S+ 0 0 107 -8,-1.6 2,-0.5 -2,-0.3 -7,-0.2 0.769 86.1 41.8 -93.7 -32.8 1.2 8.2 -10.7 38 38 A F B S-g 30 0B 42 -9,-3.1 -7,-2.6 2,-0.0 2,-0.5 -0.980 80.1-150.6-118.8 125.0 -0.7 9.9 -7.9 39 39 A R - 0 0 144 -2,-0.5 -7,-0.2 -9,-0.2 -9,-0.1 -0.848 7.0-137.7-105.8 130.7 -0.9 13.6 -8.0 40 40 A L - 0 0 9 -2,-0.5 5,-0.1 -9,-0.4 53,-0.0 -0.577 7.8-138.5 -85.8 145.9 -1.2 15.7 -4.9 41 41 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.829 82.1 59.7 -72.2 -33.6 -3.5 18.8 -4.7 42 42 A D S S- 0 0 66 49,-0.1 3,-0.2 1,-0.1 2,-0.2 -0.288 82.2-116.9 -93.2 179.9 -1.2 21.2 -2.8 43 43 A T S S+ 0 0 97 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.665 82.4 69.5-118.7 171.0 2.2 22.4 -3.8 44 44 A G S S+ 0 0 43 1,-0.5 2,-0.4 -2,-0.2 -1,-0.2 0.297 75.9 123.4 98.2 -5.5 5.7 22.0 -2.5 45 45 A V - 0 0 15 -3,-0.2 -1,-0.5 -5,-0.1 -14,-0.1 -0.758 59.1-135.4 -89.4 129.6 5.4 18.5 -3.5 46 46 A S - 0 0 43 -2,-0.4 -14,-2.4 18,-0.2 3,-0.5 -0.224 28.4-101.0 -77.1 171.9 8.1 17.2 -5.9 47 47 A R S S+ 0 0 150 1,-0.3 2,-0.6 -16,-0.3 3,-0.2 0.936 125.6 24.7 -58.2 -46.6 7.3 15.1 -9.0 48 48 A R S S+ 0 0 78 1,-0.1 -1,-0.3 -17,-0.1 -17,-0.2 -0.938 78.3 150.3-119.1 95.9 8.4 12.1 -7.0 49 49 A H S S- 0 0 0 -19,-2.6 15,-2.7 -2,-0.6 2,-0.3 0.701 72.2 -6.9 -98.2 -32.0 7.8 13.2 -3.5 50 50 A L E -FH 30 63B 3 -20,-2.0 -20,-3.4 13,-0.3 -1,-0.5 -0.961 61.5-163.6-163.9 145.4 7.1 9.8 -2.1 51 51 A E E -FH 29 62B 36 11,-2.8 11,-2.8 -2,-0.3 2,-0.5 -0.996 4.2-159.2-137.8 143.6 6.7 6.3 -3.5 52 52 A I E -FH 28 61B 4 -24,-2.4 -24,-3.2 -2,-0.4 2,-0.8 -0.971 6.3-155.7-125.4 116.4 5.2 3.2 -2.0 53 53 A R E -FH 27 60B 134 7,-2.3 7,-3.0 -2,-0.5 2,-0.6 -0.826 15.7-162.9 -91.4 113.6 6.1 -0.2 -3.4 54 54 A W E +FH 26 59B 27 -28,-3.4 -28,-2.0 -2,-0.8 2,-0.3 -0.885 18.1 160.9-102.2 125.3 3.3 -2.5 -2.6 55 55 A D - 0 0 104 3,-1.2 2,-2.8 -2,-0.6 -2,-0.0 -0.848 57.1 -77.2-133.4 168.9 3.9 -6.2 -2.8 56 56 A G S S+ 0 0 70 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.270 121.8 25.1 -73.6 58.5 2.0 -9.2 -1.2 57 57 A Q S S+ 0 0 141 -2,-2.8 2,-0.3 1,-0.2 -1,-0.2 -0.125 121.9 10.2-170.7 -68.1 3.5 -8.8 2.3 58 58 A V - 0 0 68 -5,-0.0 -3,-1.2 25,-0.0 2,-0.7 -0.907 62.1-122.9-131.8 156.8 4.6 -5.3 3.1 59 59 A A E -H 54 0B 0 23,-0.3 23,-2.6 -2,-0.3 2,-0.7 -0.894 23.9-143.2-102.2 114.6 4.3 -1.8 1.7 60 60 A L E -HI 53 81B 62 -7,-3.0 -7,-2.3 -2,-0.7 2,-0.6 -0.695 15.5-161.2 -80.9 113.8 7.7 -0.2 1.1 61 61 A L E +HI 52 80B 1 19,-3.0 19,-2.6 -2,-0.7 2,-0.5 -0.873 10.9 179.8-101.4 120.8 7.4 3.5 1.9 62 62 A A E -HI 51 79B 22 -11,-2.8 -11,-2.8 -2,-0.6 2,-0.5 -0.981 17.6-148.5-127.0 121.2 10.1 5.7 0.5 63 63 A D E -H 50 0B 20 15,-2.3 2,-0.6 -2,-0.5 -13,-0.3 -0.761 9.3-167.8 -88.0 124.4 10.2 9.4 1.0 64 64 A L + 0 0 84 -15,-2.7 2,-0.3 -2,-0.5 -18,-0.2 -0.679 58.3 61.0-119.0 76.3 11.6 11.2 -1.9 65 65 A N - 0 0 32 -2,-0.6 5,-0.2 5,-0.1 -2,-0.0 -0.868 54.6-157.7 176.3 153.0 12.2 14.8 -0.6 66 66 A S S > S+ 0 0 123 -2,-0.3 3,-0.8 3,-0.1 -1,-0.1 0.740 85.0 38.5-110.2 -53.4 14.3 16.3 2.1 67 67 A T T 3 S+ 0 0 143 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.882 133.3 23.7 -71.7 -38.6 13.0 19.7 3.1 68 68 A N T 3 S+ 0 0 46 -24,-0.1 23,-1.2 23,-0.1 -1,-0.3 0.021 98.2 151.1-116.9 23.7 9.3 19.0 2.9 69 69 A G < - 0 0 20 -3,-0.8 2,-0.2 21,-0.1 -3,-0.1 0.031 48.4 -94.4 -60.8 163.4 9.8 15.3 3.4 70 70 A T - 0 0 2 -21,-0.3 7,-1.1 -5,-0.2 2,-0.4 -0.486 29.6-149.2 -84.7 143.9 7.4 13.0 4.9 71 71 A T E -CD 76 89A 28 18,-2.8 18,-2.9 5,-0.2 2,-0.5 -0.924 2.3-151.3-112.0 141.1 7.4 11.9 8.5 72 72 A V E > S-CD 75 88A 2 3,-3.0 3,-2.4 -2,-0.4 16,-0.2 -0.967 88.7 -8.9-114.1 120.9 6.2 8.5 9.8 73 73 A N T 3 S- 0 0 96 14,-3.0 -1,-0.2 -2,-0.5 15,-0.1 0.709 131.0 -62.0 61.8 24.3 4.8 8.6 13.3 74 74 A N T 3 S+ 0 0 103 13,-0.7 -1,-0.3 1,-0.3 14,-0.1 0.394 115.0 120.1 79.6 5.3 6.2 12.2 13.2 75 75 A A E < -C 72 0A 47 -3,-2.4 -3,-3.0 1,-0.0 2,-0.3 -0.848 66.9-123.7-101.7 127.7 9.7 10.9 12.7 76 76 A P E +C 71 0A 112 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.555 44.3 156.9 -70.3 127.8 11.6 11.9 9.6 77 77 A V - 0 0 32 -7,-1.1 -7,-0.2 -2,-0.3 3,-0.1 -0.917 42.7-151.3-142.9 166.8 12.8 8.9 7.6 78 78 A Q S S+ 0 0 133 1,-0.4 -15,-2.3 -2,-0.3 2,-0.4 0.636 91.1 32.1-106.1 -31.9 13.8 8.1 4.0 79 79 A E E +I 62 0B 119 -17,-0.2 -1,-0.4 2,-0.0 2,-0.3 -0.992 67.8 150.3-134.7 130.1 12.7 4.5 4.2 80 80 A W E -I 61 0B 91 -19,-2.6 -19,-3.0 -2,-0.4 2,-0.5 -0.971 36.7-130.2-153.7 153.0 9.9 3.0 6.2 81 81 A Q E -I 60 0B 103 -2,-0.3 -21,-0.2 -21,-0.2 -2,-0.0 -0.985 38.9-108.9-114.6 126.3 7.6 0.0 5.9 82 82 A L - 0 0 2 -23,-2.6 -23,-0.3 -2,-0.5 2,-0.3 -0.108 34.8-174.6 -56.9 147.6 3.9 0.8 6.4 83 83 A A > - 0 0 34 -25,-0.1 3,-1.8 14,-0.0 14,-0.3 -0.977 35.5 -92.7-141.0 148.0 2.0 -0.4 9.4 84 84 A D T 3 S+ 0 0 81 -2,-0.3 14,-0.2 1,-0.3 3,-0.1 -0.455 111.3 15.3 -65.4 124.9 -1.6 -0.2 10.2 85 85 A G T 3 S+ 0 0 34 12,-3.5 -1,-0.3 1,-0.3 2,-0.2 0.558 90.0 142.3 89.8 10.9 -2.4 2.9 12.2 86 86 A D < - 0 0 14 -3,-1.8 11,-1.8 11,-0.4 2,-0.7 -0.517 48.9-126.9 -83.2 156.9 0.9 4.7 11.4 87 87 A V E - E 0 96A 39 9,-0.2 -14,-3.0 -2,-0.2 -13,-0.7 -0.898 23.5-173.3-112.1 113.2 0.8 8.4 10.8 88 88 A I E -DE 72 95A 3 7,-2.9 7,-3.4 -2,-0.7 2,-0.5 -0.907 4.6-174.1-110.1 117.8 2.4 9.6 7.7 89 89 A R E +DE 71 94A 98 -18,-2.9 -18,-2.8 -2,-0.6 2,-0.3 -0.960 8.2 167.4-120.5 123.6 2.7 13.4 7.3 90 90 A L E > - E 0 93A 16 3,-2.4 3,-2.7 -2,-0.5 -21,-0.1 -0.815 55.3 -49.7-126.0 163.4 3.8 15.1 4.2 91 91 A G T 3 S- 0 0 7 -23,-1.2 -49,-0.1 1,-0.3 -46,-0.1 -0.123 120.5 -23.1 -42.1 103.9 3.7 18.8 3.1 92 92 A H T 3 S+ 0 0 144 -48,-0.0 2,-0.3 1,-0.0 -1,-0.3 0.517 127.9 81.8 69.3 12.1 0.2 20.0 3.7 93 93 A S E < - E 0 90A 12 -3,-2.7 -3,-2.4 2,-0.0 2,-0.4 -0.910 55.4-172.8-149.2 115.4 -1.2 16.5 3.5 94 94 A E E -AE 14 89A 83 -80,-0.5 -80,-2.8 -2,-0.3 2,-0.3 -0.887 7.7-171.5-112.0 143.3 -1.3 13.9 6.3 95 95 A I E -AE 13 88A 14 -7,-3.4 -7,-2.9 -2,-0.4 2,-0.4 -0.974 15.4-147.0-138.3 142.7 -2.4 10.3 5.8 96 96 A I E -AE 12 87A 49 -84,-2.9 -84,-3.2 -2,-0.3 2,-0.5 -0.936 22.1-132.3-111.4 132.8 -3.2 7.4 8.1 97 97 A V E -A 11 0A 0 -11,-1.8 -12,-3.5 -2,-0.4 2,-0.5 -0.747 20.0-171.2 -90.5 126.9 -2.4 3.9 6.9 98 98 A R E -A 10 0A 85 -88,-2.8 -88,-3.1 -2,-0.5 2,-0.6 -0.979 3.9-163.8-117.1 126.0 -5.0 1.2 7.3 99 99 A M E A 9 0A 51 -2,-0.5 -90,-0.2 -90,-0.2 -15,-0.1 -0.949 360.0 360.0-114.4 116.5 -4.2 -2.3 6.6 100 100 A H 0 0 137 -92,-3.2 -93,-0.1 -2,-0.6 -1,-0.1 0.615 360.0 360.0-107.9 360.0 -7.0 -4.7 6.1