==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PENTAPEPTIDE REPEAT PROTEIN 09-MAR-05 2BM7 . COMPND 2 MOLECULE: PENTAPEPTIDE REPEAT FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.S.HEGDE,M.W.VETTING,S.L.RODERICK,L.A.MITCHENALL,A.MAXWELL, . 539 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 84.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 201 37.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 0 0.0 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 . 89 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 2 0 1 0 0 3 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 . 56 2 15 0 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 7 0 0 3 1 0 0 2 1 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 Q 0 0 171 0, 0.0 2,-0.5 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 113.2 17.7 55.4 -22.4 2 4 A W E +a 22 0A 76 19,-1.4 21,-1.8 3,-0.0 2,-0.3 -0.894 360.0 173.0-103.6 130.3 14.2 56.8 -22.3 3 5 A V E -a 23 0A 55 -2,-0.5 21,-0.2 19,-0.2 3,-0.1 -1.000 58.4 -2.8-143.1 139.1 13.8 60.6 -22.0 4 6 A D S S+ 0 0 62 19,-2.2 2,-0.3 -2,-0.3 21,-0.2 0.880 99.5 124.6 51.4 41.9 11.0 63.1 -22.2 5 7 A C - 0 0 33 18,-0.3 21,-2.3 19,-0.2 2,-0.3 -0.920 51.1-140.9-130.6 156.7 8.6 60.2 -22.9 6 8 A E E -b 26 0A 124 -2,-0.3 2,-0.3 19,-0.2 21,-0.2 -0.792 8.5-168.4-114.9 160.1 5.4 58.9 -21.3 7 9 A F E -b 27 0A 28 19,-1.8 21,-2.6 -2,-0.3 2,-0.5 -0.915 9.8-174.1-149.5 114.8 4.1 55.5 -20.7 8 10 A T E -b 28 0A 106 -2,-0.3 21,-0.2 19,-0.2 22,-0.1 -0.950 63.1 -11.3-121.4 128.3 0.6 54.9 -19.6 9 11 A G S S+ 0 0 56 19,-2.9 2,-0.4 -2,-0.5 21,-0.2 0.737 86.5 147.9 66.7 24.3 -1.0 51.7 -18.6 10 12 A R - 0 0 107 18,-0.3 21,-1.8 -3,-0.1 2,-0.5 -0.794 42.9-136.8-105.8 145.6 1.7 49.3 -19.7 11 13 A D B +k 31 0B 79 -2,-0.4 21,-0.2 19,-0.2 19,-0.1 -0.817 24.7 169.0 -94.2 115.1 2.8 46.0 -18.2 12 14 A F > + 0 0 1 19,-2.8 3,-2.3 -2,-0.5 20,-0.2 0.228 25.0 164.8-106.1 4.4 6.6 45.4 -17.9 13 15 A R T 3 - 0 0 127 18,-0.6 21,-0.2 1,-0.3 19,-0.1 0.108 66.4 -6.6 -31.4 130.0 6.0 42.3 -15.8 14 16 A D T 3 S+ 0 0 105 19,-2.0 -1,-0.3 1,-0.2 20,-0.1 0.529 96.3 137.0 55.8 15.7 9.1 40.1 -15.5 15 17 A E < - 0 0 80 -3,-2.3 21,-2.1 18,-0.2 2,-0.6 -0.402 56.3-118.0 -82.9 167.7 11.2 42.1 -18.0 16 18 A D B +q 36 0C 106 19,-0.2 21,-0.1 1,-0.1 19,-0.1 -0.885 36.4 165.5-111.7 104.9 14.9 42.9 -17.3 17 19 A L > + 0 0 22 19,-1.8 3,-2.1 -2,-0.6 20,-0.1 -0.009 19.8 164.4-106.2 29.6 15.7 46.7 -17.1 18 20 A S T 3 + 0 0 38 1,-0.3 21,-0.2 18,-0.1 19,-0.1 -0.114 68.9 4.4 -48.2 138.4 19.1 46.3 -15.6 19 21 A R T 3 S+ 0 0 180 19,-2.3 -1,-0.3 1,-0.2 20,-0.1 0.511 92.2 163.6 61.2 8.4 21.3 49.4 -15.8 20 22 A L < - 0 0 24 -3,-2.1 21,-2.7 18,-0.3 2,-0.5 -0.227 24.2-155.4 -59.4 140.4 18.3 51.4 -17.3 21 23 A H E + c 0 41A 63 19,-0.2 -19,-1.4 2,-0.0 2,-0.4 -0.979 13.7 178.0-121.3 127.5 18.5 55.2 -17.4 22 24 A T E -ac 2 42A 4 19,-2.2 21,-1.6 -2,-0.5 2,-0.4 -0.965 8.1-169.7-128.5 147.4 15.4 57.4 -17.5 23 25 A E E S-ac 3 43A 70 -21,-1.8 -19,-2.2 -2,-0.4 -18,-0.3 -0.979 76.2 -14.9-139.6 125.9 15.1 61.2 -17.5 24 26 A R S S+ 0 0 79 19,-2.1 2,-0.4 -2,-0.4 -19,-0.2 0.853 91.7 159.8 51.1 35.0 11.8 63.1 -17.1 25 27 A A - 0 0 0 18,-0.2 21,-2.7 -21,-0.2 2,-0.6 -0.745 29.3-153.2 -87.8 132.2 10.3 59.8 -17.9 26 28 A M E -bd 6 46A 59 -21,-2.3 -19,-1.8 -2,-0.4 2,-0.6 -0.931 13.3-177.6-111.9 117.3 6.6 59.6 -16.8 27 29 A F E -bd 7 47A 2 19,-3.7 21,-1.8 -2,-0.6 2,-0.6 -0.918 4.1-176.6-114.8 108.2 5.2 56.2 -16.0 28 30 A S E -bd 8 48A 27 -21,-2.6 -19,-2.9 -2,-0.6 -18,-0.3 -0.912 68.4 -14.9-110.5 125.1 1.5 56.1 -15.0 29 31 A E S S+ 0 0 111 19,-2.9 2,-0.3 -2,-0.6 21,-0.2 0.916 89.0 154.6 57.9 46.5 -0.2 52.9 -14.0 30 32 A C - 0 0 1 -3,-0.3 21,-2.5 18,-0.2 2,-0.7 -0.791 41.8-132.2-103.6 148.1 2.5 50.7 -15.2 31 33 A D B +kl 11 51B 33 -21,-1.8 -19,-2.8 -2,-0.3 -18,-0.6 -0.881 28.7 169.4-104.8 110.4 3.1 47.3 -13.8 32 34 A F > + 0 0 3 19,-3.0 3,-1.4 -2,-0.7 2,-0.2 -0.078 27.2 148.3-103.0 29.5 6.8 46.7 -13.0 33 35 A S T 3 S+ 0 0 3 1,-0.3 -19,-2.0 19,-0.1 -18,-0.2 -0.495 71.9 6.0 -72.3 131.2 6.0 43.5 -11.1 34 36 A G T 3 S+ 0 0 20 19,-1.9 -1,-0.3 20,-0.7 21,-0.2 0.379 97.9 141.8 81.1 -4.3 8.7 40.9 -11.4 35 37 A V < - 0 0 1 -3,-1.4 21,-2.4 18,-0.2 2,-0.8 -0.368 51.2-133.9 -71.1 144.4 10.9 43.4 -13.2 36 38 A N B +qr 16 56C 53 -21,-2.1 -19,-1.8 19,-0.2 21,-0.1 -0.880 34.8 160.9-102.5 105.6 14.7 43.6 -12.6 37 39 A L > + 0 0 3 19,-2.5 3,-1.9 -2,-0.8 -1,-0.1 0.060 17.3 152.3-109.5 23.6 15.6 47.2 -12.2 38 40 A A T 3 S+ 0 0 12 1,-0.3 -19,-2.3 22,-0.1 -18,-0.3 -0.170 70.9 9.7 -53.5 146.8 19.0 46.7 -10.4 39 41 A E T 3 S+ 0 0 104 19,-1.8 -1,-0.3 -21,-0.2 20,-0.1 0.447 91.3 155.6 61.5 0.5 21.5 49.6 -11.0 40 42 A S < - 0 0 0 -3,-1.9 21,-1.1 18,-0.2 2,-0.4 -0.222 29.0-153.5 -60.2 151.2 18.9 51.7 -12.6 41 43 A Q E -ce 21 61A 88 -21,-2.7 -19,-2.2 19,-0.2 2,-0.4 -0.996 13.2-178.6-129.1 129.7 19.4 55.5 -12.6 42 44 A H E -ce 22 62A 6 19,-3.6 21,-1.9 -2,-0.4 2,-0.4 -0.981 10.4-173.0-134.2 141.9 16.6 58.1 -12.8 43 45 A R E S-ce 23 63A 125 -21,-1.6 -19,-2.1 -2,-0.4 -18,-0.2 -0.961 75.4 -16.0-136.3 113.9 16.5 61.9 -12.9 44 46 A G S S+ 0 0 29 19,-3.2 2,-0.2 -2,-0.4 21,-0.2 0.831 94.2 144.6 65.7 33.5 13.2 63.9 -12.7 45 47 A S - 0 0 4 18,-0.3 21,-2.6 -21,-0.2 2,-0.4 -0.666 39.9-140.4-106.5 161.4 11.0 61.0 -13.4 46 48 A A E -df 26 66A 4 -21,-2.7 -19,-3.7 -2,-0.2 2,-0.6 -0.965 13.4-173.5-123.8 133.6 7.5 60.0 -12.2 47 49 A F E -d 27 0A 3 19,-2.3 2,-0.7 -2,-0.4 3,-0.5 -0.823 23.7-172.6-121.4 83.8 6.2 56.6 -11.4 48 50 A R E -d 28 0A 72 -21,-1.8 -19,-2.9 -2,-0.6 -18,-0.2 -0.741 64.3 -23.0 -89.1 114.9 2.6 57.6 -10.8 49 51 A N S S+ 0 0 76 19,-2.8 2,-0.2 -2,-0.7 -1,-0.2 0.879 91.1 162.3 53.5 45.8 0.4 54.8 -9.4 50 52 A C - 0 0 0 -3,-0.5 21,-2.6 -21,-0.2 2,-0.5 -0.636 40.1-121.8 -93.5 152.7 2.6 52.0 -10.7 51 53 A T E +lm 31 71B 48 -21,-2.5 -19,-3.0 -2,-0.2 2,-0.3 -0.849 27.4 178.6 -96.8 125.0 2.5 48.5 -9.4 52 54 A F E + m 0 72B 1 19,-3.1 21,-2.4 -2,-0.5 2,-0.6 -0.635 11.7 164.1-125.5 70.0 5.8 47.2 -8.0 53 55 A E E S- m 0 73B 101 -2,-0.3 -19,-1.9 1,-0.3 -18,-0.2 -0.824 75.5 -17.4 -92.6 120.5 5.1 43.7 -6.8 54 56 A R S S+ 0 0 151 19,-3.8 -20,-0.7 -2,-0.6 2,-0.3 0.950 92.8 157.0 47.7 67.5 8.4 41.8 -6.2 55 57 A T - 0 0 0 -3,-0.4 21,-2.4 18,-0.2 2,-0.7 -0.874 41.3-128.0-117.5 152.1 10.6 44.1 -8.2 56 58 A T B +rs 36 76C 14 -21,-2.4 -19,-2.5 -2,-0.3 21,-0.1 -0.874 39.9 152.7-107.6 111.5 14.4 44.5 -7.8 57 59 A L > + 0 0 3 19,-2.2 3,-1.1 -2,-0.7 -1,-0.1 0.189 23.4 140.1-117.2 14.1 15.5 48.1 -7.4 58 60 A W T 3 + 0 0 79 1,-0.2 -19,-1.8 18,-0.2 -18,-0.2 -0.322 68.6 16.8 -69.8 145.9 18.6 47.7 -5.4 59 61 A H T 3 S+ 0 0 100 20,-2.5 -1,-0.2 -21,-0.2 21,-0.2 0.658 97.7 138.6 70.3 20.2 21.7 49.9 -6.1 60 62 A S < - 0 0 0 -3,-1.1 21,-1.0 19,-0.5 2,-0.3 -0.112 46.2-140.9 -81.4-175.5 19.4 52.2 -8.0 61 63 A T E -eg 41 81A 35 -21,-1.1 -19,-3.6 19,-0.1 2,-0.6 -0.823 14.9-177.3-154.8 108.9 19.4 56.0 -8.0 62 64 A F E -eg 42 82A 4 19,-2.1 21,-2.2 -2,-0.3 2,-0.5 -0.947 7.3-175.9-110.9 122.0 16.3 58.2 -8.0 63 65 A A E S-eg 43 83A 1 -21,-1.9 -19,-3.2 -2,-0.6 -18,-0.3 -0.961 71.4 -17.2-123.2 115.8 16.9 61.9 -8.1 64 66 A Q E S+ 0 0 64 19,-2.7 2,-0.3 20,-0.5 -1,-0.2 0.989 100.4 147.1 53.4 61.9 14.0 64.4 -7.9 65 67 A C E - g 0 85A 6 19,-1.0 21,-2.8 -21,-0.2 2,-0.4 -0.894 42.8-131.4-125.8 157.9 11.6 61.6 -8.8 66 68 A S E +fg 46 86A 19 -21,-2.6 -19,-2.3 -2,-0.3 21,-0.2 -0.881 21.3 177.6-114.1 144.8 8.0 60.9 -7.8 67 69 A M > + 0 0 3 19,-2.9 3,-2.0 -2,-0.4 -19,-0.1 -0.106 26.0 172.5-126.3 25.9 6.5 57.6 -6.5 68 70 A L T 3 S- 0 0 51 1,-0.3 -19,-2.8 18,-0.1 -18,-0.2 -0.171 72.5 -18.6 -44.3 116.2 3.1 59.3 -6.1 69 71 A G T 3 S+ 0 0 9 19,-2.5 -1,-0.3 -21,-0.2 20,-0.1 0.338 93.2 149.4 65.8 -4.6 0.7 56.4 -5.2 70 72 A S < - 0 0 0 -3,-2.0 21,-2.7 -23,-0.5 2,-0.6 -0.257 40.9-132.2 -61.6 151.3 2.9 53.6 -6.5 71 73 A V E -mn 51 91B 49 -21,-2.6 -19,-3.1 19,-0.2 2,-0.5 -0.924 16.9-165.5-116.0 117.1 2.5 50.3 -4.6 72 74 A F E +m 52 0B 5 19,-3.0 2,-0.5 -2,-0.6 -19,-0.2 -0.858 9.0 176.8-104.7 121.3 5.5 48.2 -3.4 73 75 A V E -m 53 0B 63 -21,-2.4 -19,-3.8 -2,-0.5 -18,-0.2 -0.973 69.8 -23.1-128.8 119.7 5.1 44.6 -2.4 74 76 A A S S+ 0 0 67 -2,-0.5 2,-0.3 19,-0.4 -1,-0.2 0.961 91.7 163.3 44.7 66.8 8.0 42.4 -1.3 75 77 A C - 0 0 12 -21,-0.2 2,-1.0 -3,-0.1 21,-0.5 -0.794 46.7-120.4-113.1 157.1 10.5 44.5 -3.2 76 78 A R B +s 56 0C 123 -21,-2.4 -19,-2.2 -2,-0.3 -18,-0.2 -0.828 44.1 157.4 -97.7 102.0 14.3 44.7 -3.0 77 79 A L + 0 0 8 -2,-1.0 -1,-0.1 19,-0.5 -18,-0.1 0.245 29.3 130.4-110.3 14.2 14.9 48.3 -2.1 78 80 A R + 0 0 89 -20,-0.1 2,-0.2 22,-0.0 -20,-0.2 -0.986 61.8 16.5-146.5 143.5 18.3 48.2 -0.4 79 81 A P S S+ 0 0 71 0, 0.0 -20,-2.5 0, 0.0 -19,-0.5 0.549 91.1 157.6 -67.3 167.1 20.8 49.6 -0.6 80 82 A L - 0 0 22 -22,-0.2 2,-0.7 -2,-0.2 21,-0.5 -0.980 37.6-135.9-160.1 145.6 19.2 52.4 -2.5 81 83 A T E +g 61 0A 80 -21,-1.0 -19,-2.1 -2,-0.3 2,-0.5 -0.867 21.7 179.6-114.5 105.6 19.9 56.1 -3.1 82 84 A L E +g 62 0A 20 -2,-0.7 2,-0.4 19,-0.5 -19,-0.2 -0.862 4.8 179.2-103.1 129.9 17.1 58.5 -2.8 83 85 A D E S-g 63 0A 41 -21,-2.2 -19,-2.7 -2,-0.5 -18,-0.1 -0.842 77.0 -28.3-133.2 93.7 17.8 62.1 -3.4 84 86 A D E S+ 0 0 41 19,-0.5 -19,-1.0 -2,-0.4 -20,-0.5 0.998 83.2 170.3 60.9 75.9 14.6 64.1 -3.0 85 87 A V E -g 65 0A 0 -21,-0.2 21,-0.8 -22,-0.1 2,-0.8 -0.951 29.9-133.4-115.4 135.2 12.0 61.4 -4.0 86 88 A D E +gh 66 106A 26 -21,-2.8 -19,-2.9 -2,-0.4 21,-0.1 -0.786 24.5 175.8 -96.3 110.3 8.3 62.1 -3.4 87 89 A F > + 0 0 13 19,-2.7 3,-2.1 -2,-0.8 -1,-0.1 0.073 19.3 156.4 -98.0 25.4 6.5 59.2 -1.7 88 90 A T T 3 S- 0 0 24 1,-0.3 -19,-2.5 19,-0.1 -18,-0.2 -0.239 76.8 -6.4 -50.8 135.1 3.1 60.9 -1.3 89 91 A L T 3 S+ 0 0 83 19,-2.4 -1,-0.3 -21,-0.2 21,-0.1 0.588 96.3 148.3 53.7 16.9 0.4 58.2 -1.1 90 92 A A < - 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