==== 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 3PO8 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN TB39.8; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.PENNELL,S.J.SMERDON . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 39.8 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 3.1 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 . 8 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.1 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 . 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 2 2 1 2 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 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 3 A G 0 0 76 0, 0.0 96,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 162.2 14.0 -2.0 -10.5 2 4 A T E -A 96 0A 40 49,-0.9 2,-0.3 94,-0.3 92,-0.0 -0.910 360.0-159.9-130.5 154.0 16.0 0.2 -8.2 3 5 A S E -A 95 0A 6 92,-2.7 92,-2.5 -2,-0.3 2,-0.4 -0.964 9.3-147.3-131.7 155.3 15.2 2.7 -5.5 4 6 A V E -A 94 0A 0 -2,-0.3 14,-2.5 14,-0.3 2,-0.4 -0.979 9.0-164.3-125.4 132.2 17.2 5.5 -4.1 5 7 A T E -AB 93 17A 22 88,-2.5 88,-2.4 -2,-0.4 2,-0.5 -0.903 7.9-155.5-114.3 147.6 17.3 6.8 -0.5 6 8 A L E -AB 92 16A 1 10,-3.0 10,-2.6 -2,-0.4 2,-0.5 -0.987 15.0-170.5-116.7 122.8 18.7 10.0 0.8 7 9 A Q E -AB 91 15A 52 84,-2.2 84,-2.8 -2,-0.5 8,-0.2 -0.976 20.5-130.4-122.2 124.1 19.6 9.9 4.5 8 10 A L E -A 90 0A 5 6,-3.1 5,-0.5 -2,-0.5 3,-0.4 -0.512 11.2-150.0 -67.8 135.7 20.6 13.0 6.5 9 11 A D + 0 0 91 80,-2.9 -1,-0.1 -2,-0.2 81,-0.1 -0.285 67.8 104.2-105.2 48.0 23.8 12.5 8.4 10 12 A D S S- 0 0 105 -2,-0.2 -1,-0.2 4,-0.1 80,-0.0 0.373 102.1 -92.9-104.5 -0.2 23.0 14.8 11.3 11 13 A G S S+ 0 0 81 -3,-0.4 -2,-0.1 3,-0.1 -3,-0.0 0.061 112.8 89.1 107.7 -22.2 22.2 12.1 13.9 12 14 A S S S- 0 0 71 2,-0.1 3,-0.1 1,-0.1 -3,-0.1 0.686 79.7-145.7 -77.4 -23.2 18.5 12.1 13.2 13 15 A G + 0 0 27 -5,-0.5 -4,-0.1 1,-0.2 -1,-0.1 0.518 32.9 173.2 64.4 8.9 18.8 9.4 10.5 14 16 A R - 0 0 99 -7,-0.1 -6,-3.1 1,-0.1 2,-0.3 -0.222 10.9-164.2 -58.6 135.5 16.0 11.1 8.7 15 17 A T E -B 7 0A 74 -8,-0.2 2,-0.4 -3,-0.1 -8,-0.2 -0.877 18.7-165.7-129.7 145.6 15.4 9.6 5.2 16 18 A Y E -B 6 0A 21 -10,-2.6 -10,-3.0 -2,-0.3 2,-0.5 -1.000 13.6-146.8-131.0 133.4 13.7 10.4 2.0 17 19 A Q E -B 5 0A 103 -2,-0.4 -12,-0.2 -12,-0.2 -2,-0.0 -0.885 27.9-114.9 -99.7 128.4 13.0 7.9 -0.8 18 20 A L - 0 0 9 -14,-2.5 2,-0.3 -2,-0.5 -14,-0.3 -0.292 27.1-153.6 -62.5 140.1 13.1 9.3 -4.4 19 21 A R - 0 0 142 1,-0.1 30,-0.4 -16,-0.1 32,-0.1 -0.766 35.0 -84.1-103.4 158.1 9.9 9.3 -6.3 20 22 A E S S+ 0 0 170 -2,-0.3 2,-0.3 30,-0.1 30,-0.2 -0.360 100.4 17.8 -58.5 136.2 9.6 9.2 -10.1 21 23 A G E S-F 49 0B 35 28,-2.8 28,-2.5 2,-0.1 2,-0.4 -0.745 115.4 -6.0 103.8-151.0 10.0 12.7 -11.5 22 24 A S E -F 48 0B 59 -2,-0.3 2,-0.5 26,-0.2 26,-0.2 -0.701 53.0-170.3 -87.4 134.3 11.4 15.7 -9.8 23 25 A N E -F 47 0B 2 24,-1.6 24,-2.4 -2,-0.4 2,-0.4 -0.958 11.8-155.2-126.5 108.5 12.4 15.7 -6.1 24 26 A I E -F 46 0B 8 -2,-0.5 9,-2.0 22,-0.2 8,-1.6 -0.724 6.0-164.7 -93.1 129.9 13.2 19.0 -4.6 25 27 A I E +Fg 45 33B 1 20,-2.8 19,-2.0 -2,-0.4 20,-1.9 -0.945 36.8 109.0-106.5 133.3 15.4 19.4 -1.6 26 28 A G E S- g 0 34B 0 7,-1.8 9,-2.4 -2,-0.5 16,-0.3 -0.976 75.0 -91.0-179.2-175.9 15.4 22.7 0.2 27 29 A R S S+ 0 0 91 14,-2.3 15,-0.2 -2,-0.3 16,-0.1 0.622 89.8 96.4 -89.3 -16.6 14.4 24.7 3.2 28 30 A G S > S- 0 0 11 14,-1.9 3,-1.5 13,-0.3 -2,-0.1 -0.287 83.2-116.1 -80.7 161.4 11.0 25.7 1.8 29 31 A Q T 3 S+ 0 0 165 1,-0.3 -1,-0.1 5,-0.1 5,-0.1 0.673 112.3 63.8 -72.1 -15.7 7.6 24.1 2.5 30 32 A D T 3 S+ 0 0 91 12,-0.1 -1,-0.3 3,-0.0 -6,-0.2 0.597 81.3 110.2 -80.1 -8.2 7.3 23.1 -1.2 31 33 A A < - 0 0 13 -3,-1.5 3,-0.3 11,-0.2 -6,-0.2 -0.376 64.7-147.0 -67.8 141.8 10.3 20.9 -0.9 32 34 A Q S S+ 0 0 69 -8,-1.6 2,-0.5 1,-0.3 -7,-0.2 0.804 100.9 30.8 -71.6 -35.7 9.9 17.1 -1.1 33 35 A F E S-g 25 0B 6 -9,-2.0 -7,-1.8 -17,-0.1 2,-0.5 -0.959 88.5-161.1-126.2 106.7 12.8 16.7 1.4 34 36 A R E -g 26 0B 125 -2,-0.5 -7,-0.2 -3,-0.3 -5,-0.1 -0.809 1.9-159.0-101.8 126.1 12.8 19.8 3.6 35 37 A L - 0 0 1 -9,-2.4 2,-1.8 -2,-0.5 5,-0.1 -0.910 18.1-140.4-112.5 131.0 15.9 20.7 5.6 36 38 A P + 0 0 113 0, 0.0 2,-0.4 0, 0.0 -9,-0.1 -0.545 64.8 118.4 -85.6 71.3 16.0 22.9 8.7 37 39 A D > - 0 0 12 -2,-1.8 3,-1.7 3,-0.1 -2,-0.1 -0.962 56.4-153.8-146.4 115.7 19.3 24.7 7.7 38 40 A T T 3 S+ 0 0 123 -2,-0.4 48,-0.1 1,-0.3 -1,-0.1 0.649 96.8 62.9 -72.2 -12.1 19.5 28.4 7.0 39 41 A G T 3 S+ 0 0 6 46,-0.1 47,-0.5 2,-0.1 2,-0.4 0.536 89.0 85.4 -85.1 -6.4 22.4 27.8 4.6 40 42 A V S < S- 0 0 0 -3,-1.7 -3,-0.1 45,-0.2 -13,-0.1 -0.813 83.5-121.6 -98.6 132.3 20.1 25.7 2.3 41 43 A S - 0 0 16 -2,-0.4 -14,-2.3 23,-0.1 3,-0.5 -0.217 26.0-107.4 -70.1 160.8 18.0 27.6 -0.2 42 44 A R S S+ 0 0 181 1,-0.3 -14,-1.9 -16,-0.3 2,-0.5 0.931 121.2 17.0 -55.8 -47.5 14.2 27.4 -0.3 43 45 A R S S+ 0 0 138 -17,-0.2 -1,-0.3 -16,-0.1 -17,-0.2 -0.934 85.8 161.3-122.9 101.6 14.5 25.3 -3.4 44 46 A H - 0 0 0 -19,-2.0 15,-2.8 -2,-0.5 17,-0.4 0.892 55.4 -8.8 -96.9 -49.0 18.2 24.2 -3.4 45 47 A L E -FH 25 58B 0 -20,-1.9 -20,-2.8 13,-0.3 2,-0.4 -0.973 55.1-141.7-146.0 160.4 18.6 21.2 -5.6 46 48 A E E -FH 24 57B 36 11,-2.5 11,-2.8 -2,-0.3 2,-0.5 -0.950 4.0-156.7-119.4 145.7 16.5 18.8 -7.6 47 49 A I E -FH 23 56B 0 -24,-2.4 -24,-1.6 -2,-0.4 2,-0.5 -0.993 12.0-155.5-119.3 121.1 17.0 15.1 -8.1 48 50 A R E -FH 22 55B 72 7,-3.1 7,-2.5 -2,-0.5 2,-0.4 -0.865 14.4-173.7 -98.1 124.5 15.3 13.7 -11.2 49 51 A W E +FH 21 54B 18 -28,-2.5 -28,-2.8 -2,-0.5 5,-0.2 -0.972 24.6 171.7-126.7 130.9 14.5 10.0 -11.0 50 52 A D - 0 0 100 3,-1.2 -30,-0.1 -2,-0.4 4,-0.1 0.091 69.1 -90.5-119.3 21.8 13.2 7.7 -13.7 51 53 A G S S+ 0 0 25 2,-0.2 -49,-0.9 1,-0.1 3,-0.1 0.349 121.5 42.3 84.9 -5.8 13.6 4.4 -11.8 52 54 A Q S S+ 0 0 138 1,-0.4 2,-0.4 -51,-0.1 -1,-0.1 0.602 110.7 38.0-133.0 -49.4 17.1 3.9 -13.2 53 55 A V - 0 0 52 2,-0.0 -3,-1.2 25,-0.0 2,-0.6 -0.952 58.8-155.4-121.2 131.7 19.1 7.1 -13.2 54 56 A A E -H 49 0B 1 23,-0.4 23,-2.6 -2,-0.4 2,-0.6 -0.951 12.6-168.7-108.6 114.9 19.2 9.8 -10.6 55 57 A L E -HI 48 76B 50 -7,-2.5 -7,-3.1 -2,-0.6 2,-0.4 -0.918 5.5-156.8-107.0 119.4 20.3 13.2 -11.9 56 58 A L E -HI 47 75B 0 19,-3.1 19,-2.2 -2,-0.6 2,-0.4 -0.747 10.8-176.3 -92.7 139.9 21.0 15.9 -9.4 57 59 A A E -HI 46 74B 3 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.3 -0.979 24.5-132.2-138.1 125.5 20.9 19.6 -10.3 58 60 A D E -H 45 0B 12 15,-2.4 2,-0.8 -2,-0.4 -13,-0.3 -0.575 19.4-140.8 -68.2 134.5 21.7 22.6 -8.2 59 61 A L - 0 0 59 -15,-2.8 -16,-0.1 -2,-0.3 -1,-0.1 -0.425 57.5 -78.3 -99.1 55.9 18.9 25.1 -8.6 60 62 A N S S- 0 0 152 -2,-0.8 -1,-0.1 1,-0.1 -15,-0.1 0.902 74.0-170.5 51.3 46.9 21.0 28.3 -8.7 61 63 A S - 0 0 13 -17,-0.4 -1,-0.1 1,-0.1 4,-0.1 -0.244 30.4-123.5 -70.6 156.2 21.3 28.0 -4.9 62 64 A T S S+ 0 0 121 1,-0.2 -1,-0.1 2,-0.1 -22,-0.1 0.937 108.9 26.0 -65.1 -44.8 22.9 30.8 -2.9 63 65 A N S S- 0 0 109 -24,-0.3 -1,-0.2 1,-0.2 -23,-0.1 0.482 106.7-130.3-102.4 -4.2 25.6 28.6 -1.3 64 66 A G - 0 0 27 -20,-0.1 22,-0.5 21,-0.1 2,-0.3 -0.039 13.9 -97.4 80.1 176.3 25.9 25.8 -3.9 65 67 A T - 0 0 5 7,-0.5 7,-2.1 20,-0.1 2,-0.3 -0.981 26.8-164.6-133.8 142.0 26.0 22.1 -3.8 66 68 A T E -CD 71 84A 39 18,-2.2 18,-2.7 -2,-0.3 2,-0.4 -0.948 7.0-158.9-124.0 151.7 28.8 19.6 -3.7 67 69 A V E > S-CD 70 83A 0 3,-2.3 3,-1.7 -2,-0.3 16,-0.2 -0.998 86.9 -8.9-125.5 125.8 28.9 15.8 -4.3 68 70 A N T 3 S- 0 0 78 14,-2.7 -1,-0.1 -2,-0.4 15,-0.1 0.886 131.7 -58.8 52.3 41.4 31.8 13.9 -2.8 69 71 A N T 3 S+ 0 0 118 13,-0.5 -1,-0.3 1,-0.2 14,-0.1 0.647 112.9 122.5 61.6 21.9 33.2 17.4 -2.0 70 72 A A E < -C 67 0A 33 -3,-1.7 -3,-2.3 0, 0.0 -1,-0.2 -0.935 68.1-115.7-108.4 133.6 33.2 18.4 -5.7 71 73 A P E -C 66 0A 116 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.516 41.7-166.4 -69.7 137.6 31.2 21.5 -6.8 72 74 A V + 0 0 21 -7,-2.1 -7,-0.5 -2,-0.2 3,-0.1 -0.889 40.9 173.1-128.6 148.2 28.3 20.6 -9.0 73 75 A Q S S+ 0 0 116 1,-0.5 -15,-2.4 -2,-0.3 2,-0.3 0.552 93.2 0.0 -99.7 -82.9 25.8 22.0 -11.4 74 76 A E E S+I 57 0B 106 -17,-0.2 -1,-0.5 2,-0.0 2,-0.3 -0.805 75.3 175.9-102.8 150.8 24.4 18.7 -12.6 75 77 A W E -I 56 0B 80 -19,-2.2 -19,-3.1 -2,-0.3 2,-0.7 -0.989 30.5-130.4-152.5 134.9 25.6 15.3 -11.4 76 78 A Q E -I 55 0B 128 -2,-0.3 -21,-0.2 -21,-0.2 2,-0.1 -0.855 36.9-133.6 -91.0 117.7 24.7 11.7 -12.0 77 79 A L - 0 0 10 -23,-2.6 -23,-0.4 -2,-0.7 2,-0.3 -0.379 22.4-170.9 -76.5 148.6 24.4 10.1 -8.6 78 80 A A > - 0 0 49 -2,-0.1 3,-2.2 -25,-0.1 14,-0.2 -0.931 41.4 -75.5-129.1 158.6 25.8 6.7 -7.7 79 81 A D T 3 S+ 0 0 103 -2,-0.3 14,-0.2 1,-0.3 -75,-0.0 -0.240 118.9 23.5 -52.6 130.3 25.4 4.6 -4.6 80 82 A G T 3 S+ 0 0 42 12,-2.8 -1,-0.3 1,-0.3 13,-0.1 0.347 83.5 146.4 93.6 -5.4 27.5 6.1 -1.7 81 83 A D < - 0 0 15 -3,-2.2 11,-2.8 11,-0.2 2,-0.5 -0.345 38.9-145.0 -63.7 145.2 27.6 9.6 -3.0 82 84 A V E - E 0 91A 28 9,-0.2 -14,-2.7 2,-0.0 -13,-0.5 -0.968 9.1-157.9-117.8 115.6 27.5 12.3 -0.3 83 85 A I E -DE 67 90A 0 7,-3.0 7,-2.8 -2,-0.5 2,-0.4 -0.807 6.8-163.7 -91.5 131.4 25.7 15.5 -1.1 84 86 A R E +DE 66 89A 65 -18,-2.7 -18,-2.2 -2,-0.5 2,-0.3 -0.970 18.3 156.9-120.1 132.8 26.6 18.6 0.9 85 87 A L E > - E 0 88A 3 3,-1.9 3,-2.8 -2,-0.4 -45,-0.2 -0.971 64.6 -27.9-152.4 137.3 24.5 21.7 1.1 86 88 A G T 3 S- 0 0 37 -22,-0.5 -48,-0.0 -47,-0.5 -49,-0.0 -0.373 124.8 -33.6 52.3-126.8 24.5 24.3 3.7 87 89 A H T 3 S+ 0 0 157 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.3 0.186 119.5 103.6-102.0 11.3 25.5 22.6 6.9 88 90 A S E < - E 0 85A 19 -3,-2.8 -3,-1.9 -51,-0.0 2,-0.4 -0.659 52.2-160.4-105.5 153.2 23.9 19.4 5.9 89 91 A E E - E 0 84A 69 -2,-0.3 -80,-2.9 -5,-0.2 2,-0.5 -0.999 6.5-166.6-132.7 129.7 25.2 16.1 4.5 90 92 A I E -AE 8 83A 0 -7,-2.8 -7,-3.0 -2,-0.4 2,-0.5 -0.976 9.9-148.8-121.8 125.5 23.0 13.6 2.7 91 93 A I E -AE 7 82A 30 -84,-2.8 -84,-2.2 -2,-0.5 2,-0.5 -0.803 13.0-149.9 -93.8 128.2 24.1 10.0 2.0 92 94 A V E +A 6 0A 0 -11,-2.8 -12,-2.8 -2,-0.5 2,-0.4 -0.845 19.0 176.6-100.8 127.6 22.7 8.5 -1.2 93 95 A R E -A 5 0A 101 -88,-2.4 -88,-2.5 -2,-0.5 2,-0.4 -0.990 16.9-150.9-130.4 143.3 22.1 4.8 -1.4 94 96 A M E +A 4 0A 50 -2,-0.4 -90,-0.2 -90,-0.2 -92,-0.0 -0.889 16.4 179.1-105.0 145.1 20.6 2.5 -4.1 95 97 A H E -A 3 0A 66 -92,-2.5 -92,-2.7 -2,-0.4 2,-0.1 -0.992 28.8-110.9-141.0 149.2 18.8 -0.7 -3.4 96 98 A P E -A 2 0A 113 0, 0.0 2,-0.3 0, 0.0 -94,-0.3 -0.447 34.6-126.0 -77.0 152.6 17.1 -3.2 -5.6 97 99 A L 0 0 83 -96,-2.6 -94,-0.0 -2,-0.1 0, 0.0 -0.752 360.0 360.0-102.8 146.0 13.3 -3.6 -5.7 98 100 A T 0 0 192 -2,-0.3 -96,-0.0 -96,-0.0 0, 0.0 -0.846 360.0 360.0 115.6 360.0 10.9 -6.4 -5.3