==== 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 PEPTIDE BINDING PROTEIN 22-NOV-10 3POA . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN TB39.8; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.PENNELL,S.J.SMERDON . 103 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 37.9 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 2.9 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 1.0 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 . 13 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.9 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 . 1 1.0 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 3 1 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 4 A T 0 0 76 0, 0.0 2,-0.4 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0 138.4 20.8 32.2 19.9 2 5 A S E -A 94 0A 37 92,-2.5 92,-2.4 2,-0.0 2,-0.4 -0.938 360.0-161.6-112.6 142.2 17.4 30.7 20.5 3 6 A V E +A 93 0A 1 -2,-0.4 14,-2.5 14,-0.3 2,-0.4 -0.989 10.0 177.5-124.1 125.8 16.8 27.8 22.9 4 7 A T E -AB 92 16A 32 88,-2.4 88,-2.6 -2,-0.4 2,-0.5 -0.979 21.9-140.8-125.1 137.2 13.7 25.6 22.9 5 8 A L E -AB 91 15A 1 10,-3.5 10,-2.1 -2,-0.4 2,-0.6 -0.853 17.4-157.9 -92.0 131.5 13.0 22.6 25.1 6 9 A Q E -AB 90 14A 54 84,-2.3 84,-3.2 -2,-0.5 2,-0.5 -0.944 10.0-141.7-117.5 111.6 11.3 19.8 23.2 7 10 A L E > -A 89 0A 6 6,-2.1 2,-0.9 -2,-0.6 5,-0.5 -0.587 10.0-154.5 -71.6 119.6 9.3 17.3 25.3 8 11 A D T 5 + 0 0 86 80,-3.3 -1,-0.1 -2,-0.5 81,-0.1 -0.316 64.4 103.9 -98.2 52.8 10.0 14.0 23.6 9 12 A D T 5S- 0 0 93 -2,-0.9 -1,-0.2 4,-0.1 80,-0.0 0.228 99.8 -98.4-113.3 8.2 6.7 12.3 24.8 10 13 A G T 5S+ 0 0 78 -3,-0.4 -2,-0.1 3,-0.1 -3,-0.0 0.097 102.0 103.1 93.2 -22.1 4.8 12.4 21.5 11 14 A S T 5S- 0 0 61 1,-0.1 3,-0.1 2,-0.1 -3,-0.1 0.697 79.6-135.3 -67.3 -23.3 2.8 15.6 22.6 12 15 A G < + 0 0 58 -5,-0.5 2,-0.1 1,-0.3 -1,-0.1 0.553 48.6 158.1 73.5 7.1 4.9 18.0 20.5 13 16 A R + 0 0 86 -6,-0.2 -6,-2.1 -7,-0.1 2,-0.3 -0.422 14.9 178.0 -65.5 135.8 5.0 20.3 23.5 14 17 A T E -B 6 0A 81 -8,-0.2 2,-0.4 -2,-0.1 -8,-0.2 -0.931 18.9-158.3-135.6 159.7 7.8 22.8 23.5 15 18 A Y E -B 5 0A 20 -10,-2.1 -10,-3.5 -2,-0.3 2,-0.5 -0.972 11.7-145.3-141.1 124.0 9.1 25.6 25.7 16 19 A Q E -B 4 0A 127 -2,-0.4 -12,-0.3 -12,-0.3 2,-0.1 -0.798 29.7-117.4 -88.3 129.1 11.3 28.5 24.6 17 20 A L - 0 0 8 -14,-2.5 -14,-0.3 -2,-0.5 2,-0.3 -0.361 21.6-148.2 -66.2 139.5 13.7 29.6 27.3 18 21 A R - 0 0 137 3,-0.1 30,-0.4 1,-0.1 32,-0.1 -0.721 34.0 -92.5 -95.2 156.3 13.5 33.2 28.6 19 22 A E S S+ 0 0 138 -2,-0.3 2,-0.3 28,-0.1 30,-0.2 -0.417 99.0 20.8 -67.3 147.3 16.6 35.0 29.8 20 23 A G E S+F 48 0B 23 28,-3.0 28,-2.3 -2,-0.1 2,-0.3 -0.678 117.3 2.6 88.9-147.7 17.1 34.4 33.5 21 24 A S E -F 47 0B 47 -2,-0.3 2,-0.5 26,-0.2 26,-0.2 -0.561 52.6-174.3 -84.3 131.1 15.6 31.5 35.4 22 25 A N E -F 46 0B 0 24,-1.2 24,-2.4 -2,-0.3 2,-0.5 -0.965 11.8-157.5-123.1 113.2 13.5 28.8 33.8 23 26 A I E -F 45 0B 14 -2,-0.5 8,-1.8 22,-0.2 9,-1.7 -0.793 6.4-169.4 -94.0 126.6 11.9 26.3 36.2 24 27 A I E +Fg 44 32B 0 20,-3.0 20,-2.2 -2,-0.5 19,-1.7 -0.943 35.8 99.8-112.8 134.6 10.9 22.9 34.9 25 28 A G E S- g 0 33B 0 7,-2.0 9,-1.8 -2,-0.4 16,-0.3 -0.979 79.3 -84.1 171.4-177.1 8.8 20.7 37.1 26 29 A R S S+ 0 0 21 14,-2.0 15,-0.3 -2,-0.3 16,-0.1 0.665 87.8 106.4 -89.6 -17.8 5.4 19.3 38.0 27 30 A G S > S- 0 0 9 14,-1.7 3,-1.3 13,-0.3 -2,-0.1 -0.196 79.2-120.3 -65.7 151.7 4.4 22.4 40.1 28 31 A Q T 3 S+ 0 0 152 1,-0.3 -1,-0.1 5,-0.1 5,-0.1 0.758 111.9 57.3 -61.1 -28.1 1.9 25.1 39.0 29 32 A D T 3 S+ 0 0 132 12,-0.1 -1,-0.3 3,-0.0 -6,-0.2 0.559 81.4 112.6 -83.6 -9.7 4.6 27.8 39.3 30 33 A A < - 0 0 4 -3,-1.3 3,-0.2 11,-0.2 -6,-0.2 -0.308 67.9-137.8 -62.3 145.5 7.0 26.0 36.8 31 34 A Q S S+ 0 0 61 -8,-1.8 2,-0.4 1,-0.3 -7,-0.2 0.779 101.0 31.6 -71.4 -29.4 7.6 27.7 33.5 32 35 A F E S-g 24 0B 7 -9,-1.7 -7,-2.0 -17,-0.1 2,-0.5 -0.956 86.5-154.1-133.1 111.7 7.4 24.3 31.8 33 36 A R E -g 25 0B 124 -2,-0.4 -7,-0.2 -3,-0.2 -5,-0.1 -0.781 12.1-174.6 -98.8 125.0 5.0 21.9 33.5 34 37 A L - 0 0 3 -9,-1.8 5,-0.1 -2,-0.5 -2,-0.0 -0.981 14.8-157.7-112.9 122.6 5.4 18.2 33.3 35 38 A P + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 0.610 49.8 131.9 -75.1 -11.1 2.6 16.1 34.9 36 39 A D > - 0 0 23 1,-0.2 3,-2.2 2,-0.1 -2,-0.1 -0.173 57.9-141.5 -39.8 115.6 5.0 13.1 35.2 37 40 A T T 3 S+ 0 0 69 1,-0.3 65,-2.6 64,-0.1 -1,-0.2 0.588 99.1 59.0 -70.5 -8.2 4.5 11.9 38.8 38 41 A G T 3 S+ 0 0 0 63,-0.2 2,-0.4 46,-0.1 47,-0.4 0.456 86.9 94.2 -92.2 -3.8 8.2 11.2 39.1 39 42 A V S < S- 0 0 0 -3,-2.2 63,-0.1 45,-0.2 -13,-0.1 -0.762 81.1-122.0 -86.9 130.3 9.1 14.8 38.3 40 43 A S - 0 0 2 -2,-0.4 -14,-2.0 1,-0.1 3,-0.5 -0.333 20.7-114.8 -67.5 154.9 9.6 17.0 41.3 41 44 A R S S+ 0 0 80 1,-0.3 -14,-1.7 -16,-0.3 2,-0.5 0.880 119.1 22.8 -59.2 -41.5 7.4 20.1 41.6 42 45 A R S S+ 0 0 147 -17,-0.2 -1,-0.3 -16,-0.1 -17,-0.2 -0.932 86.2 156.5-118.0 98.9 10.5 22.2 41.2 43 46 A H - 0 0 0 -19,-1.7 15,-2.9 -3,-0.5 17,-0.4 0.914 55.8 -8.0 -96.9 -53.1 12.8 19.7 39.4 44 47 A L E -FH 24 57B 1 -20,-2.2 -20,-3.0 13,-0.3 2,-0.4 -0.977 52.8-144.3-143.3 160.0 15.4 21.7 37.6 45 48 A E E -FH 23 56B 44 11,-2.8 11,-3.2 -2,-0.3 2,-0.5 -0.966 6.2-162.4-119.7 139.5 16.3 25.2 36.6 46 49 A I E -FH 22 55B 0 -24,-2.4 -24,-1.2 -2,-0.4 2,-0.5 -0.981 9.5-156.0-117.2 119.2 17.9 26.4 33.4 47 50 A R E -FH 21 54B 122 7,-2.8 7,-2.6 -2,-0.5 2,-0.5 -0.823 10.6-168.6 -91.1 128.7 19.5 29.8 33.5 48 51 A W E +FH 20 53B 12 -28,-2.3 -28,-3.0 -2,-0.5 5,-0.2 -0.970 19.3 170.9-120.8 126.2 19.8 31.5 30.1 49 52 A D - 0 0 93 3,-1.3 4,-0.1 -2,-0.5 -30,-0.1 0.189 66.5 -91.3-117.2 15.6 21.8 34.6 29.5 50 53 A G S S+ 0 0 23 2,-0.2 3,-0.1 -32,-0.1 -2,-0.0 0.194 121.2 38.9 94.5 -16.0 21.6 34.7 25.7 51 54 A Q S S+ 0 0 166 1,-0.4 2,-0.4 0, 0.0 -1,-0.1 0.609 112.4 40.6-129.4 -41.1 24.8 32.7 25.3 52 55 A V - 0 0 38 2,-0.0 -3,-1.3 25,-0.0 2,-0.6 -0.965 57.0-156.3-124.8 131.7 25.0 30.0 27.8 53 56 A A E -H 48 0B 0 23,-0.4 23,-3.1 -2,-0.4 2,-0.7 -0.944 16.1-169.0-106.8 112.9 22.3 27.7 29.1 54 57 A L E -HI 47 75B 78 -7,-2.6 -7,-2.8 -2,-0.6 2,-0.3 -0.915 4.9-157.2-109.9 111.3 23.2 26.4 32.6 55 58 A L E -HI 46 74B 0 19,-3.2 19,-2.3 -2,-0.7 2,-0.4 -0.680 9.5-174.2 -85.1 140.1 21.1 23.6 34.0 56 59 A A E -HI 45 73B 10 -11,-3.2 -11,-2.8 -2,-0.3 2,-0.2 -0.980 23.1-133.0-134.3 126.5 20.9 22.9 37.7 57 60 A D E -H 44 0B 14 15,-2.7 2,-0.7 -2,-0.4 -13,-0.3 -0.570 20.0-139.5 -66.6 136.0 19.1 20.0 39.4 58 61 A L - 0 0 43 -15,-2.9 -16,-0.1 -2,-0.2 -14,-0.1 -0.344 56.3 -78.6-100.0 53.2 17.0 21.5 42.3 59 62 A N S S- 0 0 156 -2,-0.7 -1,-0.1 1,-0.1 -15,-0.1 0.911 75.7-169.8 52.9 43.8 17.7 18.8 44.9 60 63 A S - 0 0 14 -17,-0.4 -1,-0.1 1,-0.1 4,-0.1 -0.250 30.7-123.2 -68.6 151.7 15.1 16.8 43.0 61 64 A T S S+ 0 0 44 1,-0.2 -1,-0.1 -3,-0.1 -22,-0.1 0.897 108.5 25.4 -58.9 -43.6 13.7 13.6 44.4 62 65 A N S S- 0 0 41 -24,-0.3 -1,-0.2 1,-0.2 -23,-0.1 0.483 107.0-126.8-108.7 -4.3 14.7 11.4 41.4 63 66 A G - 0 0 27 -20,-0.1 22,-0.5 21,-0.1 2,-0.4 -0.019 15.5 -96.0 88.1 170.8 17.6 13.3 40.0 64 67 A T E -C 71 0A 4 7,-0.5 7,-2.5 20,-0.1 2,-0.4 -0.992 28.8-166.4-128.9 135.6 18.5 14.7 36.5 65 68 A T E -CD 70 83A 36 18,-1.9 18,-2.5 -2,-0.4 2,-0.5 -0.937 7.7-157.1-116.3 147.5 20.6 13.1 33.8 66 69 A V E > S-CD 69 82A 5 3,-2.6 3,-1.6 -2,-0.4 16,-0.2 -0.993 86.5 -10.9-120.3 122.2 22.0 14.7 30.7 67 70 A N T 3 S- 0 0 79 14,-2.8 -1,-0.1 -2,-0.5 15,-0.1 0.875 132.9 -55.4 52.4 40.0 22.8 12.3 27.9 68 71 A N T 3 S+ 0 0 113 13,-0.5 -1,-0.3 1,-0.2 14,-0.1 0.436 114.7 114.8 76.0 6.9 22.3 9.5 30.4 69 72 A A E < S-C 66 0A 49 -3,-1.6 -3,-2.6 1,-0.0 -1,-0.2 -0.920 71.1-116.2-109.5 127.8 24.8 10.9 33.0 70 73 A P E -C 65 0A 112 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.309 42.0-175.9 -58.1 137.4 23.7 12.1 36.4 71 74 A V E -C 64 0A 23 -7,-2.5 -7,-0.5 1,-0.2 3,-0.1 -0.979 35.5-171.6-137.1 151.9 24.4 15.8 36.8 72 75 A Q S S+ 0 0 110 1,-0.5 -15,-2.7 -2,-0.3 2,-0.3 0.763 89.9 3.7 -94.9 -73.6 24.1 18.6 39.4 73 76 A E E S+I 56 0B 136 -17,-0.2 -1,-0.5 2,-0.0 2,-0.3 -0.877 75.6 175.8-109.1 147.5 25.0 21.6 37.2 74 77 A W E -I 55 0B 130 -19,-2.3 -19,-3.2 -2,-0.3 2,-0.7 -0.939 32.0-130.8-155.5 132.0 25.5 21.3 33.4 75 78 A Q E -I 54 0B 127 -2,-0.3 -21,-0.2 -21,-0.2 2,-0.1 -0.717 39.3-137.1 -79.5 115.9 26.2 23.6 30.5 76 79 A L - 0 0 6 -23,-3.1 -23,-0.4 -2,-0.7 2,-0.3 -0.369 20.8-169.9 -79.7 154.1 23.7 22.5 27.8 77 80 A A > - 0 0 48 -2,-0.1 3,-2.1 -25,-0.1 14,-0.2 -0.934 40.8 -71.6-134.8 160.1 24.4 22.1 24.1 78 81 A D T 3 S+ 0 0 87 -2,-0.3 14,-0.2 1,-0.2 -75,-0.0 -0.256 119.3 18.0 -49.8 130.0 22.2 21.6 21.0 79 82 A G T 3 S+ 0 0 40 12,-3.4 -1,-0.2 1,-0.3 13,-0.1 0.338 84.1 149.0 90.0 -6.9 20.8 18.0 21.0 80 83 A D < - 0 0 18 -3,-2.1 11,-2.8 11,-0.1 2,-0.6 -0.333 40.5-139.3 -60.4 141.4 21.4 17.3 24.7 81 84 A V E - E 0 90A 27 9,-0.2 -14,-2.8 7,-0.0 2,-0.5 -0.930 13.9-162.3-109.7 115.1 18.8 14.9 26.2 82 85 A I E -DE 66 89A 0 7,-3.0 7,-2.5 -2,-0.6 2,-0.5 -0.835 4.1-161.7 -97.4 127.8 17.6 15.7 29.7 83 86 A R E +DE 65 88A 57 -18,-2.5 -18,-1.9 -2,-0.5 2,-0.3 -0.950 17.5 162.9-114.2 129.3 15.9 13.0 31.6 84 87 A L E > - E 0 87A 1 3,-2.2 3,-2.6 -2,-0.5 2,-0.3 -0.975 67.7 -28.4-144.9 129.3 13.7 13.7 34.6 85 88 A G T 3 S- 0 0 23 -22,-0.5 -48,-0.0 -47,-0.4 -46,-0.0 -0.515 125.4 -38.3 59.8-122.9 11.2 11.2 36.1 86 89 A H T 3 S+ 0 0 137 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.146 118.8 106.3-110.6 16.1 10.2 9.2 33.0 87 90 A S E < - E 0 84A 18 -3,-2.6 -3,-2.2 -51,-0.1 2,-0.4 -0.700 53.5-154.9-100.2 149.2 10.3 12.2 30.7 88 91 A E E - E 0 83A 66 -2,-0.3 -80,-3.3 -5,-0.2 2,-0.4 -0.981 5.2-168.4-123.6 135.9 12.8 13.3 28.1 89 92 A I E -AE 7 82A 1 -7,-2.5 -7,-3.0 -2,-0.4 2,-0.5 -0.990 11.2-149.0-123.3 123.8 13.5 16.8 26.9 90 93 A I E -AE 6 81A 39 -84,-3.2 -84,-2.3 -2,-0.4 2,-0.5 -0.827 16.2-134.3 -92.5 129.3 15.6 17.5 23.8 91 94 A V E -A 5 0A 0 -11,-2.8 -12,-3.4 -2,-0.5 2,-0.6 -0.730 16.9-167.8 -85.4 126.6 17.6 20.8 23.9 92 95 A R E +A 4 0A 108 -88,-2.6 -88,-2.4 -2,-0.5 2,-0.5 -0.922 14.2 169.5-118.1 101.7 17.3 22.7 20.6 93 96 A M E +A 3 0A 31 -2,-0.6 -15,-0.2 -90,-0.2 -90,-0.2 -0.949 6.1 170.1-123.1 110.1 19.9 25.5 20.7 94 97 A H E -A 2 0A 71 -92,-2.4 -92,-2.5 -2,-0.5 2,-0.1 -0.976 28.4-134.9-133.9 124.1 20.5 27.3 17.4 95 98 A P 0 0 104 0, 0.0 -2,-0.0 0, 0.0 -92,-0.0 -0.450 360.0 360.0 -68.8 145.7 22.4 30.5 16.5 96 99 A L 0 0 192 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.912 360.0 360.0 -83.6 360.0 20.6 32.9 14.3 97 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 98 2 B T 0 0 112 0, 0.0 3,-0.1 0, 0.0 -71,-0.0 0.000 360.0 360.0 360.0 43.7 0.7 18.1 42.7 99 3 B A - 0 0 58 1,-0.2 -58,-0.1 -58,-0.0 3,-0.1 -0.274 360.0 -64.0 -73.9 169.0 1.0 15.2 45.1 100 4 B P - 0 0 97 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.355 68.4 -96.8 -51.2 138.7 4.3 14.2 46.7 101 5 B X - 0 0 51 -3,-0.1 2,-0.4 1,-0.1 -63,-0.2 -0.366 35.7-120.0 -62.0 138.9 6.7 13.0 44.0 102 6 B E - 0 0 127 -65,-2.6 2,-0.4 -63,-0.1 -1,-0.1 -0.722 27.3-121.4 -84.0 132.1 6.9 9.3 43.6 103 7 B K 0 0 166 -2,-0.4 -41,-0.1 1,-0.2 -65,-0.0 -0.590 360.0 360.0 -76.6 126.0 10.3 7.8 44.2 104 8 B I 0 0 123 -2,-0.4 -1,-0.2 -66,-0.2 -42,-0.1 0.718 360.0 360.0 -94.5 360.0 11.9 6.0 41.2