==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 18-MAR-09 2KGS . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN RV0899/MT0922; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Y.YANG,D.AUGUIN,S.DELBECQ,E.DUMAS,V.MOLLE,N.SAINT . 132 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 14.4 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 . 2 1.5 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 . 8 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.5 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 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 73 A G 0 0 106 0, 0.0 3,-0.1 0, 0.0 114,-0.0 0.000 360.0 360.0 360.0-174.2 -15.4 15.5 -3.4 2 74 A A + 0 0 122 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.854 360.0 100.3 42.1 54.7 -18.1 16.3 -0.8 3 75 A S - 0 0 75 83,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.951 50.5-155.9-151.2 168.3 -18.7 12.7 0.2 4 76 A A - 0 0 79 -2,-0.3 2,-0.2 -3,-0.1 82,-0.1 -0.981 8.5-174.7-150.5 150.3 -18.0 10.0 2.9 5 77 A L - 0 0 85 -2,-0.3 82,-0.0 2,-0.0 -2,-0.0 -0.790 23.5-137.4-136.6 174.6 -18.0 6.1 3.0 6 78 A S + 0 0 88 -2,-0.2 53,-0.2 80,-0.1 80,-0.2 -0.335 41.3 159.8-139.0 45.9 -17.5 3.3 5.6 7 79 A L E -A 85 0A 40 78,-2.4 78,-1.2 1,-0.1 53,-0.2 -0.059 43.0 -71.5 -60.5 169.1 -15.2 0.7 3.9 8 80 A S E - 0 0 4 51,-2.9 77,-0.5 76,-0.2 2,-0.4 0.080 44.8-111.5 -44.4 163.9 -13.0 -2.1 5.5 9 81 A L E + 0 0 118 75,-0.2 15,-1.2 15,-0.0 2,-0.3 -0.907 44.0 158.7-109.8 138.7 -9.8 -1.6 7.4 10 82 A L E -AB 83 23A 9 73,-2.2 73,-2.7 -2,-0.4 2,-0.3 -0.991 13.6-179.7-155.6 148.5 -6.4 -2.8 5.9 11 83 A S E -AB 82 22A 40 11,-2.6 11,-2.4 -2,-0.3 2,-0.3 -0.994 6.7-172.1-151.4 159.5 -2.6 -2.2 6.2 12 84 A I E -AB 81 21A 6 69,-2.8 69,-2.4 -2,-0.3 2,-0.3 -0.988 8.3-175.0-144.8 141.7 0.7 -3.3 4.7 13 85 A S E -AB 80 20A 61 7,-2.4 7,-3.0 -2,-0.3 2,-0.3 -0.999 11.9-142.6-143.4 146.7 4.3 -2.6 5.7 14 86 A R E - B 0 19A 49 65,-3.0 5,-0.2 -2,-0.3 3,-0.1 -0.804 12.5-172.4-112.9 149.0 7.8 -3.4 4.3 15 87 A S - 0 0 87 3,-3.1 2,-1.4 -2,-0.3 63,-0.2 -0.551 62.4 -84.5-136.3 58.2 11.2 -4.2 6.0 16 88 A G S S+ 0 0 19 61,-2.1 60,-0.1 1,-0.2 63,-0.1 -0.572 119.0 7.5 79.1 -86.9 13.7 -4.2 3.0 17 89 A N S S+ 0 0 106 -2,-1.4 30,-2.8 28,-0.1 2,-0.3 -0.104 125.4 68.0-120.6 30.1 13.3 -7.7 1.6 18 90 A T E - c 0 47A 44 28,-0.2 -3,-3.1 2,-0.0 2,-0.3 -0.972 60.2-169.0-142.3 137.8 10.3 -8.8 3.7 19 91 A V E -Bc 14 48A 10 28,-1.7 30,-2.3 -2,-0.3 2,-0.4 -0.989 5.9-155.9-131.0 142.5 6.7 -7.4 3.5 20 92 A T E -Bc 13 49A 36 -7,-3.0 -7,-2.4 -2,-0.3 2,-0.4 -0.967 1.0-159.0-127.3 130.5 3.8 -8.0 6.0 21 93 A L E +Bc 12 50A 0 28,-2.4 30,-2.2 -2,-0.4 2,-0.4 -0.943 13.6 173.6-118.7 122.0 0.1 -7.7 5.2 22 94 A I E +B 11 0A 66 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.3 -0.989 30.6 74.6-134.1 132.1 -2.6 -7.2 8.1 23 95 A G E -B 10 0A 13 28,-0.4 30,-2.6 -2,-0.4 2,-0.3 -0.984 60.2 -90.5 165.2-159.7 -6.3 -6.5 7.6 24 96 A D E +f 53 0B 32 -15,-1.2 30,-0.2 -2,-0.3 28,-0.1 -0.968 32.8 169.1-158.4 145.1 -9.9 -7.8 6.7 25 97 A F E -f 54 0B 0 28,-1.1 30,-2.8 -2,-0.3 34,-0.1 -0.960 47.4-103.1-152.4 170.0 -11.9 -8.0 3.5 26 98 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 28,-0.1 0.788 102.2 4.9 -67.8 -29.1 -15.2 -9.4 1.9 27 99 A D >> - 0 0 74 26,-0.1 4,-1.0 28,-0.1 3,-0.7 -0.982 69.1-111.8-152.8 162.9 -13.1 -12.2 0.1 28 100 A E H 3> S+ 0 0 115 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.729 111.3 69.1 -62.6 -27.3 -9.7 -13.8 -0.3 29 101 A A H 3> S+ 0 0 69 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.838 96.4 51.0 -67.7 -31.1 -9.7 -12.5 -3.9 30 102 A A H <> S+ 0 0 18 -3,-0.7 4,-1.3 2,-0.2 33,-0.3 0.909 111.4 48.3 -71.6 -39.3 -9.3 -8.8 -2.6 31 103 A K H X S+ 0 0 33 -4,-1.0 4,-1.6 1,-0.2 -2,-0.2 0.878 109.5 53.7 -61.9 -40.8 -6.4 -10.0 -0.4 32 104 A A H X S+ 0 0 40 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.841 104.1 55.6 -65.5 -34.5 -4.9 -11.8 -3.5 33 105 A A H X S+ 0 0 11 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.881 104.6 52.9 -67.9 -36.3 -5.1 -8.5 -5.5 34 106 A L H X S+ 0 0 0 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.918 113.2 42.9 -65.3 -42.3 -3.0 -6.6 -2.9 35 107 A M H X S+ 0 0 61 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.819 112.5 54.5 -74.8 -27.9 -0.3 -9.3 -3.1 36 108 A T H X S+ 0 0 80 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.900 101.5 58.5 -68.5 -40.0 -0.5 -9.3 -6.9 37 109 A A H < S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.840 114.0 37.3 -62.4 -34.2 -0.0 -5.5 -7.1 38 110 A L H >< S+ 0 0 22 -4,-1.0 3,-1.3 1,-0.1 4,-0.4 0.796 109.1 63.0 -84.7 -28.7 3.4 -5.9 -5.3 39 111 A N H >< S+ 0 0 105 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.802 86.1 76.9 -64.4 -28.9 4.2 -9.2 -7.1 40 112 A G T 3< S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.701 117.0 13.6 -52.5 -28.4 4.2 -7.3 -10.5 41 113 A L T < S+ 0 0 88 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.114 92.4 142.5-137.8 16.6 7.7 -5.9 -9.6 42 114 A L < - 0 0 58 -3,-0.7 -3,-0.1 -4,-0.4 29,-0.0 -0.372 45.0-132.2 -58.6 137.1 8.7 -8.2 -6.7 43 115 A A > - 0 0 43 -2,-0.1 3,-2.3 1,-0.1 2,-0.6 -0.687 30.3 -89.2 -97.5 147.2 12.4 -9.0 -6.7 44 116 A P T 3 S+ 0 0 144 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.393 116.6 25.6 -65.5 104.5 13.9 -12.6 -6.3 45 117 A G T 3 S+ 0 0 68 -2,-0.6 2,-0.6 1,-0.3 -28,-0.1 0.140 81.6 132.5 126.6 -11.1 14.3 -13.1 -2.5 46 118 A V < - 0 0 16 -3,-2.3 -1,-0.3 -28,-0.1 -28,-0.2 -0.577 49.6-141.5 -69.3 113.1 11.7 -10.6 -1.1 47 119 A N E -c 18 0A 85 -30,-2.8 -28,-1.7 -2,-0.6 2,-0.4 -0.408 10.7-153.7 -72.1 154.1 9.6 -12.5 1.5 48 120 A V E -c 19 0A 52 -30,-0.2 2,-0.3 -2,-0.1 -28,-0.2 -0.999 9.3-172.6-137.1 131.0 5.8 -12.0 1.9 49 121 A I E -c 20 0A 76 -30,-2.3 -28,-2.4 -2,-0.4 2,-0.4 -0.962 5.7-162.3-129.6 141.8 3.8 -12.5 5.2 50 122 A D E +c 21 0A 63 -2,-0.3 -28,-0.2 -30,-0.2 -30,-0.0 -0.975 32.7 152.9-134.8 138.2 -0.0 -12.5 5.7 51 123 A Q + 0 0 151 -30,-2.2 -28,-0.4 -2,-0.4 2,-0.3 0.050 35.7 143.6-140.2 17.7 -2.6 -12.1 8.5 52 124 A I - 0 0 6 -31,-0.3 -28,-0.3 -30,-0.2 2,-0.1 -0.519 36.9-147.9 -70.4 124.6 -5.6 -10.7 6.4 53 125 A H E -f 24 0B 105 -30,-2.6 -28,-1.1 -2,-0.3 2,-0.4 -0.302 1.9-135.1 -84.3 167.2 -9.0 -11.9 7.6 54 126 A V E +f 25 0B 60 -30,-0.2 -26,-0.1 -28,-0.1 -27,-0.0 -0.990 34.0 145.1-133.1 125.0 -12.3 -12.5 5.5 55 127 A D > - 0 0 64 -30,-2.8 3,-1.7 -2,-0.4 -28,-0.1 -0.893 41.7-140.8-154.0 127.2 -15.9 -11.5 6.4 56 128 A P T 3 S+ 0 0 103 0, 0.0 -29,-0.0 0, 0.0 -1,-0.0 0.592 95.4 78.9 -68.3 -7.4 -18.7 -10.3 4.0 57 129 A V T 3 S+ 0 0 122 -32,-0.1 2,-0.3 -31,-0.0 0, 0.0 0.626 92.9 59.9 -70.3 -11.9 -19.8 -7.6 6.6 58 130 A V < - 0 0 33 -3,-1.7 2,-0.3 -33,-0.1 -3,-0.2 -0.884 66.4-173.5-119.9 147.3 -16.8 -5.5 5.3 59 131 A R + 0 0 185 -2,-0.3 -51,-2.9 -53,-0.2 2,-0.2 -0.975 8.3 175.9-142.9 152.5 -16.1 -4.1 1.7 60 132 A S - 0 0 37 -2,-0.3 -51,-0.0 -53,-0.2 -35,-0.0 -0.784 31.3 -79.2-145.3 177.9 -13.1 -2.3 0.1 61 133 A L - 0 0 19 -2,-0.2 2,-0.4 -53,-0.1 -1,-0.2 0.031 49.7-108.0 -65.3-175.8 -11.3 -0.7 -2.9 62 134 A D > - 0 0 89 48,-0.2 3,-1.3 1,-0.1 4,-0.2 -0.922 16.1-163.2-134.8 107.5 -9.3 -2.9 -5.4 63 135 A F G > S+ 0 0 2 -2,-0.4 3,-1.1 -33,-0.3 4,-0.4 0.498 74.6 94.9 -69.0 -1.8 -5.4 -2.9 -5.5 64 136 A S G 3 S+ 0 0 73 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.854 92.7 42.5 -54.4 -33.7 -5.5 -4.4 -9.0 65 137 A S G < S+ 0 0 78 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.537 101.9 71.8 -85.6 -12.1 -5.1 -0.8 -10.1 66 138 A A X> + 0 0 0 -3,-1.1 4,-1.6 1,-0.2 3,-0.9 0.384 61.7 105.7 -89.0 0.9 -2.5 -0.0 -7.4 67 139 A E H 3> S+ 0 0 96 -3,-0.4 4,-1.8 -4,-0.4 -1,-0.2 0.904 81.8 49.0 -45.5 -47.6 0.3 -2.1 -9.1 68 140 A P H 3> S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.770 103.7 61.8 -68.4 -22.8 2.1 1.2 -10.2 69 141 A V H <> S+ 0 0 0 -3,-0.9 4,-0.5 2,-0.2 -2,-0.2 0.941 108.2 42.0 -65.0 -45.0 1.8 2.5 -6.6 70 142 A F H >X S+ 0 0 12 -4,-1.6 3,-0.8 1,-0.2 4,-0.7 0.846 109.5 59.3 -70.7 -32.2 3.9 -0.4 -5.4 71 143 A T H >< S+ 0 0 63 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.909 102.2 54.0 -57.9 -42.0 6.2 0.1 -8.4 72 144 A A H 3< S+ 0 0 13 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.708 114.0 42.6 -65.5 -19.8 6.9 3.7 -7.2 73 145 A S H X< S+ 0 0 3 -3,-0.8 3,-1.8 -4,-0.5 6,-0.2 0.313 76.9 102.1-116.6 6.1 8.0 2.3 -3.7 74 146 A V T << S+ 0 0 46 -3,-0.8 -1,-0.1 -4,-0.7 -2,-0.1 0.909 87.1 50.9 -52.3 -42.2 10.2 -0.8 -4.7 75 147 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.289 93.6 92.0 -77.9 12.5 13.3 1.4 -3.9 76 148 A I X - 0 0 0 -3,-1.8 3,-1.1 1,-0.1 -60,-0.1 -0.883 52.6-176.8-114.0 97.7 11.7 2.3 -0.5 77 149 A P T 3 S+ 0 0 59 0, 0.0 -61,-2.1 0, 0.0 -1,-0.1 0.750 85.3 44.4 -72.0 -23.5 12.8 -0.2 2.3 78 150 A D T 3 S+ 0 0 106 -63,-0.2 16,-0.1 15,-0.2 -63,-0.1 0.197 87.2 139.8-101.1 6.7 10.6 1.4 5.1 79 151 A F < + 0 0 10 -3,-1.1 -65,-3.0 -6,-0.2 13,-0.3 -0.084 20.3 161.7 -52.4 152.1 7.4 1.7 2.8 80 152 A G E -AD 13 91A 2 11,-2.7 11,-2.8 -67,-0.3 2,-0.3 -0.974 20.8-154.2-164.2 163.3 3.9 1.0 4.0 81 153 A L E -AD 12 90A 1 -69,-2.4 -69,-2.8 -2,-0.3 2,-0.3 -0.982 7.8-170.0-140.7 149.6 0.2 1.7 3.1 82 154 A K E -AD 11 89A 93 7,-2.8 7,-2.9 -2,-0.3 2,-0.3 -0.968 1.4-166.3-138.4 153.3 -3.0 1.8 5.2 83 155 A V E +AD 10 88A 9 -73,-2.7 -73,-2.2 -2,-0.3 2,-0.3 -0.996 14.1 156.7-143.5 133.7 -6.8 2.0 4.3 84 156 A E E > - D 0 87A 122 3,-2.4 3,-2.5 -2,-0.3 2,-1.7 -0.938 60.5 -37.1-157.1 146.1 -10.0 2.8 6.3 85 157 A R E 3 S-A 7 0A 148 -78,-1.2 -78,-2.4 -77,-0.5 -77,-0.1 -0.258 128.1 -17.9 51.4 -71.6 -13.6 4.1 5.7 86 158 A D T 3 S+ 0 0 12 -2,-1.7 29,-2.5 -80,-0.2 2,-0.3 0.069 120.1 85.9-145.0 21.0 -13.0 6.6 2.9 87 159 A T E < -De 84 115A 43 -3,-2.5 -3,-2.4 27,-0.2 2,-0.4 -0.979 50.2-162.1-136.5 141.0 -9.2 7.3 3.2 88 160 A V E -De 83 116A 0 27,-2.5 29,-2.7 -2,-0.3 2,-0.4 -0.982 13.9-162.8-120.2 131.9 -5.9 5.7 1.9 89 161 A T E -De 82 117A 41 -7,-2.9 -7,-2.8 -2,-0.4 2,-0.4 -0.972 3.1-167.8-122.6 132.2 -2.6 6.6 3.6 90 162 A L E +De 81 118A 0 27,-2.8 29,-1.1 -2,-0.4 30,-0.9 -0.983 11.5 173.3-127.6 123.8 0.8 6.0 2.1 91 163 A T E +D 80 0A 37 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.3 -0.914 15.5 105.1-135.2 152.3 4.1 6.2 4.1 92 164 A G - 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