==== 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 1DQY . COMPND 2 MOLECULE: PROTEIN (ANTIGEN 85-C); . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.R.RONNING,T.KLABUNDE,J.C.SACCHETTINI,TB STRUCTURAL . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 0.7 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 . 1 0.4 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 . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 4 2 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 A M 0 0 104 0, 0.0 51,-0.2 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 155.8 79.1 19.0 28.5 2 1 A F + 0 0 87 49,-2.3 2,-1.8 52,-0.4 56,-0.2 0.436 360.0 99.7 -93.1 -2.2 81.5 16.4 29.9 3 2 A S + 0 0 20 48,-0.2 -1,-0.2 54,-0.1 6,-0.2 -0.224 63.1 174.2 -78.6 48.0 84.3 19.0 29.6 4 3 A R > - 0 0 140 -2,-1.8 3,-1.7 1,-0.1 5,-0.2 0.056 41.4 -64.6 -53.8 164.2 83.9 19.6 33.4 5 4 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.137 119.9 44.8 -51.5 146.0 86.2 21.9 35.4 6 5 A G T 3 S+ 0 0 72 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 -0.188 86.7 103.8 108.6 -39.2 89.8 20.7 35.6 7 6 A L S < S- 0 0 23 -3,-1.7 2,-2.3 1,-0.1 -1,-0.3 -0.660 74.5-134.0 -79.6 125.5 90.0 19.9 31.9 8 7 A P + 0 0 62 0, 0.0 21,-0.6 0, 0.0 2,-0.5 -0.291 45.2 160.2 -75.7 55.0 92.0 22.6 30.0 9 8 A V E -A 28 0A 20 -2,-2.3 2,-0.3 -5,-0.2 19,-0.2 -0.692 20.4-163.9 -85.4 123.9 89.4 22.8 27.2 10 9 A E E -A 27 0A 82 17,-3.4 17,-2.9 -2,-0.5 2,-0.6 -0.743 16.3-138.8-106.4 155.2 89.6 26.0 25.2 11 10 A Y E -A 26 0A 98 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.938 29.1-169.0-115.2 105.3 87.0 27.5 22.9 12 11 A L E -A 25 0A 19 13,-3.1 13,-2.5 -2,-0.6 2,-0.7 -0.724 22.4-145.2-102.4 146.8 88.7 28.9 19.8 13 12 A Q E -A 24 0A 106 -2,-0.3 11,-0.2 11,-0.2 -2,-0.0 -0.936 23.7-172.6-107.6 106.2 87.5 31.0 17.0 14 13 A V E -A 23 0A 0 9,-3.0 9,-3.3 -2,-0.7 7,-0.1 -0.906 20.0-130.3-107.8 111.7 89.3 29.9 13.9 15 14 A P E -A 22 0A 67 0, 0.0 2,-0.6 0, 0.0 7,-0.2 -0.289 13.9-157.2 -59.8 137.6 88.8 32.0 10.8 16 15 A S E >> -A 21 0A 3 5,-2.1 5,-1.3 1,-0.2 4,-1.1 -0.932 8.7-173.5-119.1 102.8 87.9 30.1 7.6 17 16 A A T 45S+ 0 0 95 -2,-0.6 3,-0.2 1,-0.2 -1,-0.2 0.879 86.6 54.8 -62.7 -37.5 88.8 32.2 4.6 18 17 A S T 45S+ 0 0 47 1,-0.2 75,-0.3 77,-0.1 -1,-0.2 0.845 116.7 34.8 -66.2 -34.8 87.1 29.6 2.3 19 18 A M T 45S- 0 0 5 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.482 102.6-128.9 -99.3 -2.6 83.8 29.8 4.2 20 19 A G T <5S+ 0 0 66 -4,-1.1 2,-0.3 -3,-0.2 -3,-0.2 0.797 76.2 82.2 61.7 30.1 84.0 33.5 5.0 21 20 A R E - 0 0 7 86,-0.1 3,-1.8 83,-0.1 35,-0.3 -0.225 47.7 -78.3 -90.2-178.0 77.6 13.6 13.6 41 40 A L T 3 S+ 0 0 22 1,-0.3 34,-2.2 33,-0.1 35,-0.1 0.805 128.1 49.4 -49.3 -40.2 74.9 14.6 11.0 42 41 A R T 3 S+ 0 0 136 32,-0.2 -1,-0.3 33,-0.1 32,-0.2 0.012 79.5 169.6 -95.7 29.6 73.1 17.0 13.4 43 42 A A < - 0 0 4 -3,-1.8 31,-0.3 30,-0.2 2,-0.1 -0.118 24.9-139.2 -43.8 127.2 76.3 18.8 14.5 44 43 A Q - 0 0 97 3,-0.6 28,-1.1 28,-0.1 5,-0.1 -0.450 11.2-127.5 -90.4 163.9 75.4 21.9 16.6 45 44 A D S S+ 0 0 132 26,-0.1 -21,-0.1 -2,-0.1 3,-0.1 0.435 102.8 49.7 -91.9 0.7 77.0 25.3 16.5 46 45 A D S S+ 0 0 65 1,-0.4 2,-0.3 26,-0.0 -1,-0.1 0.846 119.5 4.0-102.3 -50.2 77.6 25.5 20.2 47 46 A Y S S- 0 0 72 23,-0.0 -3,-0.6 -21,-0.0 -1,-0.4 -0.981 73.4-107.4-139.8 150.8 79.4 22.3 21.1 48 47 A N >> - 0 0 0 -2,-0.3 4,-1.8 21,-0.2 3,-1.1 -0.507 33.4-119.8 -74.0 141.3 80.7 19.2 19.3 49 48 A G H 3> S+ 0 0 4 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.773 110.8 62.4 -53.5 -30.5 78.6 16.1 19.9 50 49 A W H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 6,-0.6 0.890 107.4 42.2 -64.1 -39.5 81.5 14.3 21.4 51 50 A D H <4 S+ 0 0 0 -3,-1.1 -49,-2.3 2,-0.2 -48,-0.2 0.840 114.6 51.7 -75.7 -34.4 81.7 16.8 24.3 52 51 A I H < S+ 0 0 42 -4,-1.8 -2,-0.2 -51,-0.2 -1,-0.2 0.908 125.2 23.8 -67.4 -41.8 77.9 16.8 24.7 53 52 A N H < S+ 0 0 67 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.554 120.9 37.8-105.5 -9.1 77.6 13.1 24.9 54 53 A T < - 0 0 1 -4,-1.8 -52,-0.4 -5,-0.2 3,-0.4 -0.942 69.1-120.9-143.4 162.6 80.9 11.7 26.1 55 54 A P > + 0 0 27 0, 0.0 4,-3.2 0, 0.0 5,-0.2 -0.125 61.7 139.3 -92.1 37.5 83.9 12.3 28.4 56 55 A A H > + 0 0 0 -6,-0.6 4,-1.6 1,-0.2 5,-0.2 0.885 68.3 49.0 -47.3 -50.9 86.2 12.2 25.4 57 56 A F H > S+ 0 0 0 -3,-0.4 4,-0.7 1,-0.2 3,-0.4 0.947 114.2 44.9 -58.0 -49.8 88.3 15.1 26.6 58 57 A E H >4 S+ 0 0 76 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.899 110.5 55.3 -61.4 -41.3 88.8 13.6 30.0 59 58 A E H 3< S+ 0 0 42 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.793 115.7 37.7 -63.5 -29.0 89.5 10.2 28.5 60 59 A Y H >< S+ 0 0 1 -4,-1.6 3,-1.9 -3,-0.4 5,-0.5 0.384 85.8 124.1-103.1 2.7 92.3 11.6 26.4 61 60 A Y T << S+ 0 0 98 -3,-0.8 -31,-0.1 -4,-0.7 5,-0.1 -0.469 88.2 4.6 -65.1 128.7 93.5 14.0 29.0 62 61 A Q T 3 S+ 0 0 161 -2,-0.2 -1,-0.3 3,-0.2 4,-0.1 0.732 93.1 125.9 66.8 24.1 97.2 13.3 29.6 63 62 A S S < S- 0 0 11 -3,-1.9 -2,-0.1 2,-0.4 3,-0.1 0.554 85.4-110.9 -86.3 -9.5 97.2 10.8 26.8 64 63 A G S S+ 0 0 33 1,-0.3 -31,-0.4 -4,-0.3 2,-0.4 0.487 90.9 99.3 90.0 4.7 100.1 12.6 25.1 65 64 A L S S- 0 0 1 -5,-0.5 -2,-0.4 -34,-0.1 -1,-0.3 -0.952 70.3-131.0-125.5 143.0 97.7 13.7 22.4 66 65 A S E - c 0 34A 2 -33,-2.8 -31,-2.4 -2,-0.4 2,-0.5 -0.536 23.2-136.8 -84.2 159.5 95.8 16.9 21.9 67 66 A V E -Bc 28 35A 0 -39,-2.5 -39,-2.3 -33,-0.2 2,-0.5 -0.984 15.2-166.5-123.8 127.5 92.1 16.7 21.2 68 67 A I E +Bc 27 36A 0 -33,-2.9 -31,-3.3 -2,-0.5 -41,-0.2 -0.959 8.1 178.6-117.2 121.1 90.4 18.8 18.5 69 68 A M E -B 26 0A 0 -43,-3.1 -43,-3.1 -2,-0.5 -21,-0.2 -0.866 15.6-155.8-120.9 94.7 86.6 19.1 18.3 70 69 A P E -B 25 0A 0 0, 0.0 2,-0.4 0, 0.0 -45,-0.2 -0.441 15.9-136.2 -68.0 147.2 85.5 21.3 15.5 71 70 A V + 0 0 6 -47,-2.9 -47,-0.4 -23,-0.1 2,-0.2 -0.901 57.5 8.0-110.4 134.0 82.1 22.8 16.1 72 71 A G + 0 0 2 -28,-1.1 -33,-0.2 -2,-0.4 -28,-0.1 -0.612 49.2 131.6 104.8-164.8 79.4 23.1 13.5 73 72 A G > - 0 0 3 -2,-0.2 3,-2.6 1,-0.2 4,-0.4 0.826 40.8-160.8 82.8 33.6 79.0 21.7 10.0 74 73 A Q T 3 S- 0 0 56 -31,-0.3 -32,-0.2 1,-0.3 -1,-0.2 -0.212 76.2 -9.3 -49.6 129.7 75.5 20.2 10.2 75 74 A S T 3 S+ 0 0 0 -34,-2.2 -1,-0.3 -35,-0.3 -34,-0.1 0.647 100.0 124.5 53.0 21.0 75.0 17.7 7.4 76 75 A S X - 0 0 0 -3,-2.6 3,-1.6 -35,-0.1 20,-0.2 0.671 62.1-145.2 -82.0 -18.5 78.3 18.9 5.8 77 76 A F T 3 - 0 0 12 -4,-0.4 3,-0.1 1,-0.3 -3,-0.1 0.690 54.3 -90.2 56.7 19.6 79.9 15.5 5.7 78 77 A Y T 3 S+ 0 0 3 -5,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.860 95.8 124.0 44.5 46.6 83.0 17.5 6.4 79 78 A T S < S- 0 0 5 -3,-1.6 17,-1.7 17,-0.1 2,-0.6 -0.733 72.2 -97.5-126.3 171.7 83.6 17.9 2.7 80 79 A D B -H 95 0B 43 15,-0.3 15,-0.3 -2,-0.2 2,-0.1 -0.855 44.1-143.7 -94.3 120.1 84.0 20.8 0.3 81 80 A W - 0 0 1 13,-3.1 97,-0.2 -2,-0.6 98,-0.1 -0.432 14.0-131.1 -82.5 158.1 80.6 21.5 -1.3 82 81 A Y S S- 0 0 124 95,-1.2 96,-0.2 96,-0.9 -1,-0.1 0.838 85.0 -16.8 -74.3 -33.9 80.1 22.6 -4.9 83 82 A Q S S- 0 0 81 94,-1.7 11,-0.3 9,-0.1 -1,-0.2 -0.969 90.0 -59.5-161.8 171.7 77.8 25.4 -3.8 84 83 A P S S- 0 0 34 0, 0.0 9,-0.2 0, 0.0 2,-0.1 -0.340 74.7 -86.2 -59.7 141.4 75.6 26.8 -1.0 85 84 A S > - 0 0 2 7,-0.4 2,-1.0 1,-0.1 5,-0.6 -0.309 45.5-136.3 -53.3 116.0 73.0 24.3 0.0 86 85 A Q T 5S+ 0 0 94 88,-0.2 -1,-0.1 1,-0.2 90,-0.1 -0.692 83.6 28.9 -83.5 101.9 70.1 25.1 -2.4 87 86 A S T 5S+ 0 0 98 -2,-1.0 -1,-0.2 3,-0.1 86,-0.1 -0.210 107.2 60.6 148.4 -47.9 66.9 25.1 -0.4 88 87 A N T 5S- 0 0 54 84,-0.3 -2,-0.1 -3,-0.3 85,-0.1 0.318 105.1-108.0 -94.2 9.3 67.6 26.1 3.2 89 88 A G T 5 + 0 0 67 -4,-0.4 -3,-0.1 1,-0.2 2,-0.1 0.593 51.7 171.0 80.1 10.6 69.0 29.5 2.6 90 89 A Q < - 0 0 21 -5,-0.6 -1,-0.2 1,-0.2 -3,-0.1 -0.372 19.6-159.2 -56.3 126.8 72.7 28.8 3.3 91 90 A N + 0 0 127 -7,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.217 66.6 39.2 -97.8 14.5 74.5 32.0 2.2 92 91 A Y S S- 0 0 47 -9,-0.1 2,-0.5 -7,-0.1 -7,-0.4 -0.938 86.2 -99.6-151.2 169.5 77.9 30.5 1.8 93 92 A T - 0 0 33 -2,-0.3 2,-0.1 -75,-0.3 -2,-0.0 -0.864 33.9-119.7-103.4 127.2 79.5 27.3 0.6 94 93 A Y + 0 0 4 -2,-0.5 -13,-3.1 -11,-0.3 3,-0.1 -0.412 34.8 171.3 -59.8 128.7 80.6 24.6 3.0 95 94 A K B > +H 80 0B 57 -15,-0.3 4,-1.9 -2,-0.1 -15,-0.3 -0.436 19.4 144.7-137.3 56.8 84.4 24.0 2.7 96 95 A W H > + 0 0 3 -17,-1.7 4,-2.7 2,-0.2 -16,-0.2 0.741 69.1 55.5 -72.2 -24.1 85.0 21.7 5.6 97 96 A E H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.934 110.4 46.9 -72.6 -43.3 87.7 19.7 3.9 98 97 A T H >>S+ 0 0 20 2,-0.2 5,-1.8 1,-0.2 4,-1.6 0.900 114.8 48.4 -61.4 -39.3 89.6 22.9 3.2 99 98 A F H <>S+ 0 0 0 -4,-1.9 5,-3.3 3,-0.2 -2,-0.2 0.958 115.7 41.6 -66.0 -49.9 89.0 23.9 6.8 100 99 A L H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.771 123.3 37.0 -69.2 -29.2 90.1 20.6 8.4 101 100 A T H <5S+ 0 0 16 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.598 136.0 5.5-101.2 -13.6 93.1 20.0 6.1 102 101 A R T X5S+ 0 0 111 -4,-1.6 4,-1.9 -5,-0.3 5,-0.2 0.604 123.9 42.5-132.3 -62.7 94.5 23.5 5.7 103 102 A E H > S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.884 111.7 52.2 -61.6 -34.3 95.8 22.9 11.1 106 105 A A H X S+ 0 0 54 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.935 111.8 46.7 -64.0 -44.6 97.6 26.0 10.0 107 106 A W H X S+ 0 0 69 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.925 113.8 46.6 -62.2 -48.5 96.0 28.0 12.8 108 107 A L H X>S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 6,-1.8 0.807 112.9 50.4 -66.4 -31.2 96.7 25.4 15.5 109 108 A Q H X5S+ 0 0 105 -4,-2.0 4,-0.6 4,-0.3 -2,-0.2 0.967 114.5 42.3 -70.6 -52.4 100.3 24.9 14.3 110 109 A A H <5S+ 0 0 83 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.894 129.0 28.1 -60.5 -43.0 101.1 28.7 14.3 111 110 A N H <5S+ 0 0 100 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.763 136.7 19.9 -94.3 -27.4 99.3 29.4 17.6 112 111 A K H <5S- 0 0 80 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.678 93.3-118.5-114.6 -28.6 99.5 26.1 19.6 113 112 A G << + 0 0 49 -5,-1.6 2,-0.4 -4,-0.6 -4,-0.3 0.631 56.0 156.7 94.1 16.2 102.3 24.1 18.1 114 113 A V - 0 0 6 -6,-1.8 -1,-0.3 -9,-0.1 -81,-0.2 -0.653 46.4-117.2 -77.2 127.5 100.0 21.3 17.0 115 114 A S - 0 0 28 -83,-2.6 -81,-0.3 -2,-0.4 -1,-0.1 -0.435 8.9-145.7 -68.4 133.5 101.6 19.4 14.2 116 115 A P S S+ 0 0 32 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.589 84.1 56.9 -73.6 -9.2 99.6 19.5 10.9 117 116 A T S S+ 0 0 68 1,-0.2 24,-0.3 -12,-0.1 -2,-0.1 -0.848 89.2 37.3-123.5 159.6 100.9 15.9 10.3 118 117 A G S S+ 0 0 17 22,-2.8 2,-0.2 -2,-0.3 24,-0.2 0.880 82.3 133.0 72.6 41.2 100.8 12.6 12.1 119 118 A N - 0 0 0 22,-2.5 25,-1.2 21,-0.2 2,-0.4 -0.562 51.6-119.9-115.0 179.0 97.3 13.0 13.5 120 119 A A E -de 35 144A 0 -86,-2.3 -84,-3.5 -2,-0.2 2,-0.5 -0.964 12.0-153.1-124.1 138.8 94.2 10.8 13.7 121 120 A A E -de 36 145A 0 23,-2.2 25,-2.6 -2,-0.4 2,-0.5 -0.958 15.7-175.2-111.2 122.8 90.7 11.6 12.3 122 121 A V E +de 37 146A 0 -86,-3.2 -84,-3.3 -2,-0.5 2,-0.3 -0.977 8.8 166.6-122.9 124.5 87.9 9.9 14.1 123 122 A G E - e 0 147A 0 23,-2.3 25,-2.3 -2,-0.5 2,-0.4 -0.901 18.8-152.9-133.1 162.0 84.3 10.2 12.9 124 123 A L E > - 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