==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 05-JAN-00 1DQZ . COMPND 2 MOLECULE: PROTEIN (ANTIGEN 85-C); . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.R.RONNING,T.KLABUNDE,J.C.SACCHETTINI,TB STRUCTURAL . 560 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.4 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 0.2 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 . 43 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 8 3 1 0 1 3 2 2 0 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 2 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 PARALLEL BRIDGES PER LADDER . 2 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 3 A R 0 0 285 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.0 -6.0 3.8 69.1 2 4 A P - 0 0 109 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.272 360.0-109.4 -66.9-168.4 -4.8 4.8 65.6 3 5 A G S S+ 0 0 51 1,-0.4 0, 0.0 3,-0.1 0, 0.0 0.471 89.5 15.6 -98.9-118.2 -2.6 7.8 64.5 4 6 A L S S- 0 0 68 1,-0.2 2,-2.2 54,-0.0 -1,-0.4 -0.345 80.2-129.1 -57.5 129.5 -4.0 10.7 62.6 5 7 A P + 0 0 49 0, 0.0 21,-0.6 0, 0.0 2,-0.4 -0.277 42.1 166.9 -82.7 58.4 -7.8 10.4 63.0 6 8 A V E -A 25 0A 62 -2,-2.2 2,-0.3 19,-0.2 19,-0.2 -0.613 13.2-171.8 -75.0 128.8 -8.6 10.7 59.3 7 9 A E E -A 24 0A 63 17,-3.5 17,-2.4 -2,-0.4 2,-0.5 -0.799 22.9-144.8-116.5 161.4 -12.2 9.7 58.7 8 10 A Y E -A 23 0A 87 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.965 30.7-168.4-129.8 111.1 -14.2 9.2 55.5 9 11 A L E -A 22 0A 15 13,-3.2 13,-2.3 -2,-0.5 2,-0.6 -0.688 24.7-144.9-108.9 154.5 -17.9 10.3 56.1 10 12 A Q E -A 21 0A 80 -2,-0.3 11,-0.2 11,-0.2 9,-0.0 -0.963 23.1-172.4-115.7 110.3 -21.2 10.0 54.3 11 13 A V E -A 20 0A 0 9,-2.9 9,-3.1 -2,-0.6 7,-0.1 -0.902 21.8-126.7-109.7 117.4 -23.2 13.2 54.8 12 14 A P E -A 19 0A 69 0, 0.0 2,-0.6 0, 0.0 7,-0.2 -0.347 17.9-160.4 -63.1 138.4 -26.8 13.2 53.6 13 15 A S E >> -A 18 0A 3 5,-2.3 5,-1.4 1,-0.2 4,-1.0 -0.943 10.1-174.0-119.1 106.7 -27.8 16.1 51.3 14 16 A A T 45S+ 0 0 97 -2,-0.6 3,-0.5 1,-0.2 -1,-0.2 0.921 87.6 54.6 -63.5 -41.3 -31.5 16.6 51.1 15 17 A S T 45S+ 0 0 44 1,-0.2 75,-0.3 77,-0.1 -1,-0.2 0.801 117.5 33.8 -64.4 -30.9 -31.0 19.2 48.4 16 18 A M T 45S- 0 0 5 2,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.434 103.5-127.6-104.8 1.4 -29.0 16.8 46.1 17 19 A G T <5S+ 0 0 61 -4,-1.0 2,-0.3 -3,-0.5 -3,-0.2 0.833 76.2 71.8 59.8 38.8 -30.9 13.6 47.1 18 20 A R E - 0 0 6 86,-0.1 3,-1.5 83,-0.1 35,-0.3 -0.151 47.5 -78.2 -89.5-170.9 -10.3 22.1 41.8 38 40 A L T 3 S+ 0 0 30 1,-0.3 34,-2.0 33,-0.1 35,-0.1 0.816 126.8 54.4 -61.3 -33.4 -12.3 21.8 38.6 39 41 A R T 3 S+ 0 0 173 32,-0.2 -1,-0.3 33,-0.1 32,-0.2 0.072 77.2 167.1 -92.6 27.9 -11.4 18.1 38.1 40 42 A A < - 0 0 3 -3,-1.5 31,-0.3 30,-0.2 2,-0.1 -0.097 26.0-141.0 -45.7 128.2 -12.7 17.0 41.5 41 43 A Q - 0 0 99 3,-0.6 28,-1.1 28,-0.1 -1,-0.1 -0.471 12.5-126.2 -91.7 165.1 -12.9 13.2 41.7 42 44 A D S S+ 0 0 125 -2,-0.1 -21,-0.1 26,-0.1 3,-0.1 0.537 102.9 49.4 -89.6 -5.1 -15.7 11.2 43.3 43 45 A D S S+ 0 0 74 1,-0.4 2,-0.3 26,-0.0 -1,-0.1 0.890 119.3 1.4 -96.5 -49.7 -13.3 9.1 45.5 44 46 A Y S S- 0 0 103 23,-0.0 -3,-0.6 -21,-0.0 -1,-0.4 -0.980 72.2-106.7-143.6 149.9 -11.0 11.6 47.2 45 47 A N >> - 0 0 0 -2,-0.3 4,-1.7 21,-0.2 3,-1.2 -0.470 34.2-118.1 -74.4 143.8 -10.4 15.3 47.4 46 48 A G H 3> S+ 0 0 3 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.713 110.6 64.6 -57.6 -28.8 -7.4 16.6 45.5 47 49 A W H 3> S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 6,-0.6 0.888 107.8 41.5 -64.3 -36.9 -5.8 18.0 48.6 48 50 A D H <4 S+ 0 0 61 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.823 115.8 50.8 -81.4 -27.6 -5.5 14.4 50.0 49 51 A I H < S+ 0 0 80 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 125.3 23.2 -71.3 -38.5 -4.4 13.0 46.6 50 52 A N H < S+ 0 0 82 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.477 117.9 39.1-111.1 -4.1 -1.7 15.6 46.0 51 53 A T S < S- 0 0 17 -4,-1.5 3,-0.3 -5,-0.1 209,-0.0 -0.935 70.3-116.5-145.1 167.0 -0.5 17.0 49.3 52 54 A P > + 0 0 51 0, 0.0 4,-2.9 0, 0.0 5,-0.3 -0.049 63.2 137.1 -92.5 35.1 0.3 16.3 53.0 53 55 A A H > + 0 0 1 -6,-0.6 4,-1.7 1,-0.2 5,-0.1 0.859 68.0 48.4 -52.6 -44.8 -2.5 18.6 54.1 54 56 A F H > S+ 0 0 9 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.943 114.8 45.7 -62.8 -44.5 -3.8 16.3 56.8 55 57 A E H >4 S+ 0 0 145 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.892 111.5 53.8 -62.8 -39.2 -0.3 15.8 58.3 56 58 A E H 3< S+ 0 0 41 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.1 37.1 -66.8 -31.4 0.4 19.5 58.1 57 59 A Y H >< S+ 0 0 4 -4,-1.7 3,-1.7 -5,-0.3 5,-0.4 0.401 83.8 123.2-102.9 0.9 -2.6 20.4 60.0 58 60 A Y T << S+ 0 0 85 -4,-0.8 -31,-0.1 -3,-0.6 5,-0.1 -0.496 86.9 7.7 -61.6 131.8 -2.6 17.6 62.5 59 61 A Q T 3 S+ 0 0 159 -2,-0.2 -1,-0.3 3,-0.2 4,-0.1 0.667 91.0 125.4 66.6 24.0 -2.5 19.0 66.1 60 62 A S S < S- 0 0 8 -3,-1.7 -2,-0.1 2,-0.4 3,-0.1 0.579 84.6-111.7 -85.3 -8.9 -3.0 22.5 64.7 61 63 A G S S+ 0 0 32 1,-0.3 -31,-0.4 -34,-0.2 2,-0.4 0.467 90.4 100.0 87.6 2.0 -6.1 23.1 67.0 62 64 A L S S- 0 0 2 -5,-0.4 -2,-0.4 -33,-0.1 -1,-0.3 -0.952 70.2-131.0-122.7 143.0 -8.2 23.1 63.8 63 65 A S E - c 0 31A 3 -33,-2.6 -31,-2.6 -2,-0.4 2,-0.5 -0.535 22.1-139.1 -81.8 156.8 -10.3 20.4 62.2 64 66 A V E -Bc 25 32A 1 -39,-2.3 -39,-2.3 -33,-0.2 2,-0.5 -0.984 15.9-170.3-123.4 128.5 -9.8 19.7 58.5 65 67 A I E -Bc 24 33A 0 -33,-2.7 -31,-3.1 -2,-0.5 -41,-0.2 -0.979 6.0-178.5-121.5 122.8 -12.8 19.1 56.1 66 68 A M E -B 23 0A 0 -43,-3.1 -43,-2.9 -2,-0.5 -21,-0.2 -0.880 16.6-152.4-121.6 96.4 -12.3 17.9 52.5 67 69 A P E -B 22 0A 0 0, 0.0 2,-0.4 0, 0.0 -45,-0.2 -0.405 16.0-137.0 -65.3 145.9 -15.6 17.6 50.7 68 70 A V + 0 0 5 -47,-2.9 -47,-0.4 -23,-0.1 2,-0.2 -0.881 55.6 8.0-109.3 138.1 -15.5 15.0 47.9 69 71 A G + 0 0 4 -28,-1.1 -33,-0.2 -2,-0.4 -28,-0.1 -0.500 50.7 128.6 100.5-165.5 -16.9 15.3 44.5 70 72 A G > - 0 0 5 -2,-0.2 3,-2.5 1,-0.1 5,-0.3 0.837 41.2-161.6 81.1 31.4 -18.5 18.2 42.6 71 73 A Q T 3 S- 0 0 54 -31,-0.3 -32,-0.2 1,-0.3 -1,-0.1 -0.195 76.8 -5.8 -45.6 131.6 -16.5 18.1 39.4 72 74 A S T 3 S+ 0 0 0 -34,-2.0 -1,-0.3 -35,-0.3 -34,-0.1 0.655 99.7 125.5 54.1 21.0 -16.9 21.5 37.6 73 75 A S X - 0 0 0 -3,-2.5 3,-1.5 -35,-0.1 20,-0.2 0.703 61.0-145.3 -84.4 -18.5 -19.5 22.6 40.2 74 76 A F T 3 - 0 0 20 -4,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.592 54.0 -91.4 59.0 17.1 -17.9 25.8 41.3 75 77 A Y T 3 S+ 0 0 3 -5,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.844 95.7 124.1 45.7 43.1 -19.3 24.8 44.7 76 78 A T S < S- 0 0 4 -3,-1.5 17,-1.8 17,-0.1 2,-0.6 -0.644 72.5 -98.7-123.2 171.1 -22.4 26.8 43.8 77 79 A D B -H 92 0B 43 15,-0.3 15,-0.2 16,-0.2 2,-0.1 -0.874 43.2-145.4 -93.6 122.8 -26.2 26.1 43.5 78 80 A W - 0 0 2 13,-2.6 97,-0.2 -2,-0.6 98,-0.1 -0.457 14.5-130.0 -85.2 157.2 -27.0 25.4 39.9 79 81 A Y S S- 0 0 120 95,-1.1 96,-0.2 96,-0.9 -1,-0.1 0.873 84.6 -15.3 -73.8 -33.9 -30.2 26.5 38.2 80 82 A Q S S- 0 0 73 94,-2.0 11,-0.3 9,-0.1 -1,-0.2 -0.948 89.2 -61.5-159.4 171.3 -30.8 23.0 36.7 81 83 A P S S- 0 0 38 0, 0.0 2,-0.2 0, 0.0 9,-0.2 -0.351 73.5 -86.6 -59.6 147.1 -29.2 19.6 36.0 82 84 A S > - 0 0 4 7,-0.4 2,-0.8 1,-0.1 5,-0.6 -0.405 44.3-135.0 -62.5 121.6 -26.3 20.0 33.6 83 85 A Q T 5S+ 0 0 90 -2,-0.2 91,-0.1 88,-0.2 90,-0.1 -0.730 83.4 26.9 -85.5 110.5 -27.8 19.8 30.2 84 86 A S T 5S+ 0 0 102 -2,-0.8 -1,-0.2 3,-0.1 86,-0.1 -0.240 108.6 60.9 137.5 -44.7 -25.7 17.5 28.0 85 87 A N T 5S- 0 0 52 84,-0.2 -2,-0.1 -3,-0.2 85,-0.1 0.285 103.3-112.4 -99.5 12.7 -23.9 15.0 30.2 86 88 A G T 5 + 0 0 64 -4,-0.3 -3,-0.1 1,-0.2 -4,-0.0 0.586 47.5 175.1 72.7 13.2 -27.0 13.4 31.6 87 89 A Q < - 0 0 23 -5,-0.6 -1,-0.2 1,-0.2 -3,-0.1 -0.268 19.5-153.8 -50.3 132.3 -26.5 14.6 35.2 88 90 A N + 0 0 127 -7,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.208 66.5 32.6-103.0 20.3 -29.7 13.4 36.9 89 91 A Y S S- 0 0 51 -9,-0.1 2,-0.5 -7,-0.1 -7,-0.4 -0.918 86.1 -96.7-157.0 173.4 -29.9 15.9 39.7 90 92 A T - 0 0 33 -2,-0.3 2,-0.2 -75,-0.3 -2,-0.0 -0.894 34.6-120.9-104.5 127.0 -29.1 19.5 40.3 91 93 A Y + 0 0 4 -2,-0.5 -13,-2.6 -11,-0.3 3,-0.1 -0.498 33.0 173.3 -62.9 133.3 -25.9 20.5 42.0 92 94 A K B > +H 77 0B 59 -15,-0.2 4,-2.3 -2,-0.2 -15,-0.3 -0.476 19.7 146.5-137.6 57.4 -26.7 22.4 45.2 93 95 A W H > + 0 0 4 -17,-1.8 4,-2.7 2,-0.2 -16,-0.2 0.782 68.8 54.5 -71.0 -28.1 -23.2 22.7 46.6 94 96 A E H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.927 110.8 47.2 -69.2 -43.2 -23.7 26.1 48.2 95 97 A T H >>S+ 0 0 27 1,-0.2 5,-1.7 2,-0.2 4,-1.6 0.908 114.5 48.8 -61.1 -41.2 -26.7 24.8 50.1 96 98 A F H <>S+ 0 0 0 -4,-2.3 5,-3.0 3,-0.2 -2,-0.2 0.957 114.6 42.5 -63.9 -48.2 -24.7 21.7 51.1 97 99 A L H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.804 123.0 36.7 -71.4 -25.5 -21.6 23.7 52.3 98 100 A T H <5S+ 0 0 15 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.620 135.1 7.8-102.8 -15.1 -23.5 26.4 54.2 99 101 A R T X5S+ 0 0 105 -4,-1.6 4,-1.8 -5,-0.3 5,-0.2 0.606 125.0 40.7-130.3 -62.2 -26.5 24.5 55.6 100 102 A E H > S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.888 111.8 51.9 -62.6 -33.8 -22.3 22.3 58.9 103 105 A A H X S+ 0 0 54 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.952 113.0 45.0 -65.4 -45.7 -25.5 21.1 60.6 104 106 A W H X S+ 0 0 62 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.911 113.1 49.3 -64.7 -41.6 -24.5 17.5 60.3 105 107 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 6,-1.8 0.813 110.3 51.7 -68.9 -28.0 -20.9 18.1 61.5 106 108 A Q H X S+ 0 0 114 -4,-1.8 4,-0.9 4,-0.2 -2,-0.2 0.947 115.9 40.5 -71.8 -46.0 -22.1 20.1 64.5 107 109 A A H < S+ 0 0 81 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.852 129.7 27.5 -69.9 -35.2 -24.5 17.3 65.5 108 110 A N H < S+ 0 0 87 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.658 132.3 23.1-106.1 -17.5 -22.1 14.4 64.7 109 111 A K H < S- 0 0 75 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.330 95.5-113.5-133.9 5.7 -18.5 15.7 65.1 110 112 A G < + 0 0 55 -4,-0.9 2,-0.5 -5,-0.4 -4,-0.2 0.801 62.0 150.2 66.5 27.8 -18.7 18.7 67.4 111 113 A V - 0 0 4 -6,-1.8 -1,-0.2 -9,-0.1 -81,-0.2 -0.824 48.2-119.8 -96.3 132.0 -17.6 21.2 64.7 112 114 A S - 0 0 29 -83,-3.2 -81,-0.3 -2,-0.5 -9,-0.0 -0.465 7.6-144.9 -68.8 134.8 -18.9 24.7 65.1 113 115 A P S S+ 0 0 32 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.632 85.2 58.7 -72.1 -12.7 -21.0 25.9 62.1 114 116 A T S S+ 0 0 75 1,-0.2 24,-0.3 -12,-0.1 -2,-0.1 -0.815 90.0 34.8-119.0 155.5 -19.5 29.4 62.6 115 117 A G S S+ 0 0 16 22,-2.5 24,-0.2 -2,-0.3 -1,-0.2 0.857 80.4 135.7 77.6 39.1 -15.9 30.8 62.7 116 118 A N - 0 0 0 22,-2.7 25,-1.1 21,-0.2 2,-0.4 -0.450 50.2-118.0-111.4 177.2 -14.4 28.6 60.0 117 119 A A E -de 32 141A 0 -86,-2.5 -84,-3.4 22,-0.2 2,-0.5 -0.968 11.9-154.3-119.8 137.1 -12.0 29.1 57.0 118 120 A A E -de 33 142A 0 23,-2.0 25,-2.7 -2,-0.4 2,-0.5 -0.960 16.6-175.8-107.0 122.2 -12.8 28.4 53.4 119 121 A V E +de 34 143A 0 -86,-3.0 -84,-2.9 -2,-0.5 2,-0.3 -0.977 9.3 169.1-124.1 116.9 -9.7 27.6 51.4 120 122 A G E - e 0 144A 0 23,-2.6 25,-2.5 -2,-0.5 2,-0.3 -0.875 17.6-157.8-126.9 163.4 -10.0 27.1 47.6 121 123 A L E > - 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