==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-FEB-06 2FWV . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN MTUBF_01000852; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR W.SHEPARD,A.HAOUZ,M.GRANA,A.BUSCHIAZZO,J.M.BETTON,S.T.COLE, . 190 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 52.1 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 . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.7 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 1 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 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 3 2 2 1 1 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 0 0 0 1 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 27 A A > 0 0 105 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -41.1 25.4 14.1 20.4 2 28 A A H > + 0 0 62 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.888 360.0 50.3 -69.5 -39.3 27.0 11.3 18.4 3 29 A V H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 111.3 49.9 -65.3 -38.3 24.5 11.7 15.6 4 30 A E H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.870 107.8 52.5 -68.5 -38.2 25.2 15.4 15.4 5 31 A R H X S+ 0 0 155 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.947 110.0 48.6 -63.2 -47.1 28.9 14.9 15.3 6 32 A A H X S+ 0 0 56 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.894 110.8 51.5 -58.2 -40.1 28.5 12.5 12.3 7 33 A K H X S+ 0 0 138 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.945 109.7 49.9 -62.0 -44.8 26.3 15.1 10.7 8 34 A A H >< S+ 0 0 43 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.919 115.1 41.4 -61.0 -48.2 28.9 17.9 11.2 9 35 A T H >< S+ 0 0 13 -4,-2.4 182,-2.5 1,-0.2 3,-1.5 0.855 108.6 60.6 -73.0 -33.2 31.8 15.9 9.7 10 36 A A H 3< S+ 0 0 21 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.697 100.0 56.8 -64.0 -17.5 29.7 14.5 6.9 11 37 A A T << S+ 0 0 79 -4,-0.8 -1,-0.2 -3,-0.7 2,-0.2 0.504 100.0 77.5 -89.5 -5.9 29.1 18.0 5.6 12 38 A R < + 0 0 95 -3,-1.5 179,-0.3 -4,-0.2 2,-0.3 -0.627 50.2 175.6-105.8 160.6 32.8 18.8 5.3 13 39 A N - 0 0 40 -2,-0.2 13,-0.1 177,-0.1 3,-0.1 -0.952 39.3 -83.9-148.7 170.4 35.6 18.0 2.9 14 40 A I - 0 0 31 -2,-0.3 2,-0.2 1,-0.1 13,-0.1 -0.433 49.9 -98.2 -70.3 149.5 39.3 18.9 2.4 15 41 A P + 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.489 60.9 159.3 -58.3 131.0 40.3 22.1 0.7 16 42 A A - 0 0 55 -2,-0.2 2,-0.2 -3,-0.1 8,-0.1 -0.988 47.2 -95.1-158.0 150.2 41.2 21.1 -2.9 17 43 A F - 0 0 168 -2,-0.3 3,-0.2 1,-0.1 8,-0.2 -0.488 28.3-167.0 -64.9 139.4 41.5 22.6 -6.4 18 44 A D S S+ 0 0 152 -2,-0.2 -1,-0.1 1,-0.1 6,-0.1 0.103 70.1 76.5-111.2 17.6 38.3 22.1 -8.4 19 45 A D + 0 0 116 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.179 65.5 100.1-124.9 16.8 39.7 23.0 -11.7 20 46 A L S S- 0 0 112 2,-0.3 4,-0.1 -3,-0.2 0, 0.0 -0.659 73.1-123.5-101.5 159.7 41.7 20.0 -13.0 21 47 A P S S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.611 95.6 73.3 -77.4 -13.1 40.6 17.4 -15.5 22 48 A V S S- 0 0 94 1,-0.1 -2,-0.3 0, 0.0 2,-0.0 -0.638 104.4 -83.1 -90.7 156.4 41.3 14.6 -12.9 23 49 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.340 47.1-108.3 -61.9 141.8 38.9 14.2 -10.0 24 50 A A - 0 0 49 1,-0.1 9,-0.5 -4,-0.1 2,-0.1 -0.389 42.3 -97.9 -61.9 141.8 39.5 16.5 -6.9 25 51 A D - 0 0 66 -8,-0.2 2,-0.4 7,-0.1 48,-0.2 -0.457 46.5-162.6 -61.0 135.1 40.9 14.7 -3.9 26 52 A T B -A 72 0A 3 46,-2.5 46,-1.7 -2,-0.1 48,-0.1 -0.991 30.0-178.0-129.1 134.8 38.1 13.8 -1.5 27 53 A A S S+ 0 0 0 -2,-0.4 2,-0.4 44,-0.2 21,-0.2 -0.030 75.3 73.3-109.2 23.8 38.2 12.8 2.1 28 54 A N > - 0 0 0 3,-0.3 3,-2.3 163,-0.2 19,-0.1 -0.945 69.0-151.5-142.5 112.6 34.4 12.3 2.3 29 55 A L T 3 S+ 0 0 66 -2,-0.4 6,-0.2 1,-0.3 -19,-0.0 0.452 94.4 67.7 -72.0 3.9 32.9 9.2 0.5 30 56 A R T 3 S+ 0 0 158 -20,-0.1 2,-0.3 1,-0.0 -1,-0.3 0.568 103.6 49.1 -87.2 -11.7 29.6 11.1 -0.1 31 57 A E S < S+ 0 0 86 -3,-2.3 -3,-0.3 2,-0.1 2,-0.1 -0.905 96.6 4.6-131.1 150.1 31.4 13.5 -2.5 32 58 A G S S+ 0 0 63 -2,-0.3 3,-0.1 -5,-0.1 -7,-0.1 -0.302 97.7 7.9 82.0-159.2 33.8 13.1 -5.6 33 59 A A S S- 0 0 26 -9,-0.5 41,-0.2 39,-0.2 -2,-0.1 -0.155 82.1 -95.5 -61.4 151.1 35.0 10.1 -7.5 34 60 A D - 0 0 144 39,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.402 46.1-106.3 -60.0 137.6 33.7 6.6 -6.8 35 61 A L - 0 0 32 -6,-0.2 -1,-0.1 -3,-0.1 41,-0.1 -0.550 40.6-107.6 -64.2 129.4 35.9 4.7 -4.3 36 62 A N > - 0 0 55 39,-0.5 3,-2.6 -2,-0.3 4,-0.2 -0.313 22.2-125.1 -60.1 133.7 37.9 2.1 -6.2 37 63 A N G > S+ 0 0 128 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.762 106.5 67.5 -50.9 -29.0 36.6 -1.4 -5.4 38 64 A A G 3 S+ 0 0 37 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.752 97.3 56.1 -62.5 -20.7 40.1 -2.6 -4.4 39 65 A L G X + 0 0 0 -3,-2.6 3,-2.0 1,-0.2 4,-0.5 0.319 67.0 108.2-100.2 4.8 39.9 -0.3 -1.4 40 66 A L G X S+ 0 0 92 -3,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.865 76.6 58.6 -56.9 -35.5 36.7 -1.4 0.4 41 67 A A G 3 S+ 0 0 31 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.737 111.3 43.5 -61.9 -22.3 38.7 -3.0 3.3 42 68 A L G X> S+ 0 0 0 -3,-2.0 3,-2.2 1,-0.2 4,-0.5 0.365 80.0 113.1-102.3 2.9 40.2 0.4 3.9 43 69 A L G X4 + 0 0 79 -3,-1.4 3,-1.2 -4,-0.5 -1,-0.2 0.803 67.7 59.9 -52.9 -41.3 37.0 2.4 3.6 44 70 A P G 34 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.719 96.2 65.4 -64.4 -17.0 36.7 3.6 7.3 45 71 A L G <4 S+ 0 0 0 -3,-2.2 -2,-0.2 114,-0.0 25,-0.1 0.779 73.3 104.8 -73.6 -28.0 40.1 5.4 7.0 46 72 A V << + 0 0 4 -3,-1.2 2,-0.3 -4,-0.5 25,-0.2 -0.337 62.2 60.3 -58.8 127.9 39.0 7.9 4.5 47 73 A G E S-B 70 0B 0 23,-2.5 23,-2.9 144,-0.1 2,-0.4 -0.877 89.2 -70.3 149.1-175.7 38.6 11.3 6.2 48 74 A V E -BC 69 190B 4 142,-1.4 141,-3.5 -2,-0.3 142,-1.7 -0.975 45.0-165.2-114.4 133.2 40.5 13.9 8.2 49 75 A W E -BC 68 188B 0 19,-2.7 19,-2.2 -2,-0.4 2,-0.4 -0.950 7.3-178.6-120.7 134.8 41.5 12.9 11.8 50 76 A R E +BC 67 187B 111 137,-2.7 137,-2.8 -2,-0.4 2,-0.3 -0.998 25.2 96.3-138.0 138.9 42.6 15.2 14.5 51 77 A G E -BC 66 186B 25 15,-2.2 15,-2.3 -2,-0.4 2,-0.3 -0.940 57.2 -72.3 178.2-157.4 43.8 14.6 18.1 52 78 A E E -BC 65 185B 90 133,-1.0 133,-1.7 -2,-0.3 2,-0.3 -0.872 34.0-174.9-126.5 159.1 46.6 14.0 20.5 53 79 A G E -BC 64 184B 4 11,-2.8 11,-1.9 -2,-0.3 2,-0.4 -0.831 19.3-121.9-144.1-178.4 49.0 11.2 21.2 54 80 A E E -BC 63 183B 123 129,-2.7 129,-2.1 -2,-0.3 2,-0.3 -0.977 22.4-169.7-132.3 139.5 51.8 10.1 23.5 55 81 A G E -BC 62 182B 3 7,-2.5 7,-2.3 -2,-0.4 2,-0.6 -0.899 21.8-128.7-127.7 160.2 55.3 9.1 22.7 56 82 A R E +B 61 0B 134 125,-2.1 5,-0.2 -2,-0.3 -2,-0.0 -0.948 38.4 170.7-108.2 116.9 58.2 7.5 24.5 57 83 A G E > -B 60 0B 22 3,-2.0 3,-1.4 -2,-0.6 0, 0.0 -0.555 51.1 -89.1-117.2-177.0 61.4 9.5 24.2 58 84 A P T 3 S+ 0 0 136 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.855 127.8 44.8 -59.9 -34.2 64.9 9.6 25.7 59 85 A D T 3 S- 0 0 165 1,-0.3 2,-0.2 0, 0.0 -3,-0.0 0.065 125.8 -87.7-101.1 21.7 63.6 11.8 28.5 60 86 A G E < S-B 57 0B 38 -3,-1.4 -3,-2.0 2,-0.0 -1,-0.3 -0.557 76.1 -17.8 100.7-170.1 60.4 9.9 29.3 61 87 A D E -B 56 0B 96 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.332 60.5-173.4 -73.4 150.9 56.9 10.2 27.8 62 88 A Y E -B 55 0B 52 -7,-2.3 -7,-2.5 -2,-0.0 2,-0.3 -0.933 18.0-122.0-139.8 163.0 55.8 13.3 25.8 63 89 A R E +BD 54 87B 81 24,-0.6 24,-2.3 -2,-0.3 2,-0.3 -0.786 26.7 176.0-104.6 151.6 52.7 14.6 24.2 64 90 A F E -BD 53 86B 9 -11,-1.9 -11,-2.8 -2,-0.3 2,-0.3 -0.986 21.8-136.4-146.6 157.3 52.0 15.5 20.6 65 91 A G E -BD 52 85B 1 20,-2.7 20,-2.3 -2,-0.3 2,-0.3 -0.769 27.3-174.2-106.0 161.7 49.1 16.7 18.4 66 92 A Q E -BD 51 84B 12 -15,-2.3 -15,-2.2 -2,-0.3 2,-0.4 -0.994 22.7-161.7-156.4 145.5 48.4 15.3 15.0 67 93 A Q E -BD 50 83B 33 16,-2.6 16,-2.6 -2,-0.3 2,-0.4 -0.999 12.5-168.6-125.0 132.5 46.3 15.6 11.9 68 94 A I E -BD 49 82B 0 -19,-2.2 -19,-2.7 -2,-0.4 2,-0.5 -0.982 3.8-162.4-118.8 129.6 46.0 12.7 9.4 69 95 A V E -BD 48 81B 20 12,-2.7 12,-1.9 -2,-0.4 2,-0.5 -0.954 7.7-177.9-112.5 123.8 44.4 13.3 6.0 70 96 A V E +BD 47 80B 0 -23,-2.9 -23,-2.5 -2,-0.5 2,-0.2 -0.973 20.3 151.5-125.2 109.6 43.3 10.2 4.1 71 97 A S E - 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