==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 11-APR-07 2UYP . COMPND 2 MOLECULE: PROTEIN TDCF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.D.BURMAN,C.E.M.STEVENSON,R.G.SAWERS,D.M.LAWSON . 382 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0.8 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 . 26 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 0 0 0 0 0 0 0 0 0 2 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 3 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 . 6 0 9 0 0 0 3 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 0 0 0 3 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 2 A K 0 0 87 0, 0.0 2,-0.5 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 117.7 30.8 18.6 17.3 2 3 A K E -A 21 0A 76 19,-2.0 19,-3.2 2,-0.0 2,-0.2 -0.992 360.0-132.4-122.0 123.1 31.6 16.3 20.2 3 4 A I E -A 20 0A 62 -2,-0.5 2,-0.5 17,-0.2 17,-0.3 -0.525 18.5-134.8 -67.5 138.3 29.9 12.9 20.5 4 5 A I E +A 19 0A 10 15,-3.1 15,-0.9 -2,-0.2 14,-0.6 -0.870 26.5 176.3-101.6 128.1 28.3 12.0 23.9 5 6 A E + 0 0 170 -2,-0.5 2,-0.3 13,-0.1 6,-0.1 -0.996 6.6 158.5-133.2 124.3 29.0 8.5 25.2 6 7 A T - 0 0 18 -2,-0.4 3,-0.4 4,-0.1 53,-0.1 -0.994 38.8-149.4-146.3 149.7 27.9 7.2 28.6 7 8 A Q S S+ 0 0 75 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.468 94.8 76.7 -91.7 -6.7 27.3 3.9 30.3 8 9 A R S S+ 0 0 168 50,-0.1 50,-0.2 2,-0.1 -1,-0.2 0.432 100.2 48.8 -82.4 -0.2 24.6 5.5 32.5 9 10 A A S S- 0 0 3 -3,-0.4 2,-0.1 49,-0.2 -3,-0.1 -0.912 107.5 -83.8-129.1 158.5 22.4 5.3 29.4 10 11 A P - 0 0 22 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.380 45.1-110.3 -65.4 140.5 21.9 2.3 27.1 11 12 A G - 0 0 56 25,-0.2 6,-0.1 1,-0.1 -4,-0.0 -0.412 50.1 -85.7 -64.3 141.1 24.5 1.6 24.3 12 13 A A - 0 0 46 4,-0.2 -1,-0.1 1,-0.1 6,-0.0 -0.232 29.3-157.0 -52.0 132.6 23.1 2.3 20.8 13 14 A I S S+ 0 0 83 -3,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.155 78.2 12.0 -93.8 16.3 21.2 -0.7 19.3 14 15 A G S S- 0 0 25 2,-0.2 2,-2.4 334,-0.0 331,-0.0 -0.929 112.6 -42.4-172.9-173.7 21.9 0.8 15.8 15 16 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 336,-0.0 -0.380 97.7 88.7 -76.4 70.8 23.8 3.4 13.7 16 17 A Y - 0 0 48 -2,-2.4 2,-0.3 342,-0.1 344,-0.2 -0.944 66.8-125.8-150.7 169.1 23.5 6.3 16.1 17 18 A V - 0 0 21 342,-1.0 344,-0.4 -2,-0.3 -12,-0.1 -0.845 27.8-120.6-114.2 160.0 25.2 8.0 19.1 18 19 A Q S S- 0 0 12 -14,-0.6 11,-2.6 -2,-0.3 2,-0.3 0.836 86.4 -6.6 -71.1 -31.6 23.4 8.8 22.3 19 20 A G E -AB 4 28A 0 -15,-0.9 -15,-3.1 9,-0.3 2,-0.4 -0.988 52.6-146.7-158.3 157.8 24.1 12.5 22.1 20 21 A V E -AB 3 27A 0 7,-2.4 7,-2.3 -2,-0.3 2,-0.6 -0.999 12.8-153.3-131.2 134.0 25.9 15.3 20.3 21 22 A D E -AB 2 26A 19 -19,-3.2 -19,-2.0 -2,-0.4 5,-0.2 -0.929 11.9-179.0-110.6 118.2 27.2 18.4 21.9 22 23 A L - 0 0 35 3,-3.2 2,-1.7 -2,-0.6 4,-0.1 0.219 49.2-112.7 -99.9 10.6 27.4 21.5 19.7 23 24 A G S S+ 0 0 41 2,-0.3 103,-0.1 1,-0.2 -1,-0.1 -0.492 114.8 42.9 91.2 -62.8 28.9 23.8 22.4 24 25 A S S S+ 0 0 81 -2,-1.7 102,-2.2 1,-0.2 2,-0.3 0.817 124.3 20.3 -80.8 -42.6 25.7 25.8 22.3 25 26 A M E - C 0 125A 12 100,-0.2 -3,-3.2 101,-0.1 2,-0.4 -0.944 62.2-148.0-133.1 150.0 23.1 23.1 22.2 26 27 A V E -BC 21 124A 1 98,-2.9 98,-2.6 -2,-0.3 2,-0.4 -0.985 11.8-161.8-120.6 133.2 23.0 19.4 23.0 27 28 A F E -BC 20 123A 7 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.3 -0.941 6.1-157.4-109.6 133.8 20.8 16.9 21.0 28 29 A T E -B 19 0A 2 94,-2.1 -9,-0.3 -2,-0.4 -10,-0.1 -0.805 19.4-118.0-100.7 150.6 19.8 13.4 22.4 29 30 A S - 0 0 0 -11,-2.6 2,-0.6 -2,-0.3 93,-0.4 -0.343 55.2 -75.2 -62.2 167.8 18.8 10.4 20.4 30 31 A G - 0 0 14 331,-2.1 2,-0.5 91,-0.1 91,-0.3 -0.635 52.8-142.2 -74.0 117.5 15.2 9.2 21.3 31 32 A Q B -D 120 0A 10 89,-2.5 89,-2.6 -2,-0.6 25,-0.1 -0.740 17.6-169.9 -88.5 121.9 15.5 7.4 24.6 32 33 A I - 0 0 18 -2,-0.5 2,-2.3 87,-0.2 87,-0.2 -0.652 41.9 -92.2-102.4 156.9 13.4 4.3 25.0 33 34 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 19,-0.1 -0.383 71.7 142.3 -74.1 62.4 13.0 2.5 28.4 34 35 A V - 0 0 10 -2,-2.3 7,-0.2 7,-0.1 6,-0.1 -0.875 55.0-121.7 -94.9 134.5 15.9 0.1 28.0 35 36 A X > - 0 0 68 5,-2.1 4,-2.2 -2,-0.4 -26,-0.1 -0.642 12.9-150.4 -79.5 124.7 17.8 -0.5 31.2 36 37 A P T 4 S+ 0 0 31 0, 0.0 -25,-0.2 0, 0.0 -1,-0.2 0.884 96.0 45.4 -65.0 -35.6 21.5 0.5 30.8 37 38 A Q T 4 S+ 0 0 148 -29,-0.1 -2,-0.0 1,-0.1 -28,-0.0 0.968 132.4 12.2 -70.9 -45.3 22.6 -2.1 33.3 38 39 A T T 4 S- 0 0 94 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.708 86.1-121.7-106.5 -22.7 20.5 -5.2 32.1 39 40 A G < + 0 0 39 -4,-2.2 2,-0.1 1,-0.3 -2,-0.0 0.382 65.4 143.4 85.4 -4.1 18.9 -4.5 28.7 40 41 A E - 0 0 51 -6,-0.1 -5,-2.1 -5,-0.0 -1,-0.3 -0.375 46.1-145.2 -73.2 147.1 15.4 -5.1 30.3 41 42 A I - 0 0 62 -7,-0.2 -7,-0.1 -3,-0.1 7,-0.1 -0.959 24.9-126.8-107.0 114.8 12.3 -3.2 29.4 42 43 A P - 0 0 34 0, 0.0 6,-0.0 0, 0.0 9,-0.0 -0.279 11.6-136.8 -63.2 152.8 10.1 -2.7 32.5 43 44 A A S S+ 0 0 82 4,-0.1 2,-0.1 5,-0.0 -2,-0.0 0.925 77.2 74.6 -79.6 -47.4 6.5 -3.9 32.0 44 45 A D S > S- 0 0 103 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.394 77.6-131.3 -74.8 143.5 4.5 -1.0 33.6 45 46 A V H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.779 106.0 57.7 -62.2 -31.1 4.1 2.3 31.8 46 47 A Q H > S+ 0 0 36 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.929 110.2 43.0 -64.5 -50.0 5.1 4.3 35.0 47 48 A D H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.873 114.8 50.4 -61.0 -43.6 8.5 2.5 35.2 48 49 A Q H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 112.6 46.3 -63.3 -45.5 8.9 2.9 31.4 49 50 A A H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.961 114.2 47.7 -60.0 -52.7 8.2 6.6 31.5 50 51 A R H X S+ 0 0 62 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.900 112.5 51.9 -51.0 -44.9 10.5 7.0 34.5 51 52 A L H X S+ 0 0 23 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.849 105.6 50.8 -68.9 -37.6 13.2 5.0 32.7 52 53 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.914 111.0 50.9 -61.9 -42.2 13.2 7.0 29.4 53 54 A L H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.854 108.3 50.7 -65.4 -36.0 13.5 10.2 31.4 54 55 A E H X S+ 0 0 42 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.857 110.1 51.1 -66.4 -36.9 16.5 8.8 33.4 55 56 A N H X S+ 0 0 1 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.873 110.7 48.1 -64.5 -42.1 18.1 7.8 30.1 56 57 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 3,-0.3 0.969 113.3 48.1 -61.9 -54.3 17.6 11.3 28.8 57 58 A K H X S+ 0 0 70 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.895 107.2 57.6 -45.0 -49.0 19.1 12.7 32.1 58 59 A A H X S+ 0 0 8 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.897 110.0 41.7 -59.5 -42.5 22.0 10.4 31.8 59 60 A I H X S+ 0 0 0 -4,-1.6 4,-1.0 -3,-0.3 -1,-0.2 0.857 115.4 49.3 -72.5 -37.1 23.0 11.7 28.4 60 61 A V H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 -2,-0.2 0.840 111.5 49.4 -72.4 -36.2 22.5 15.4 29.3 61 62 A V H ><5S+ 0 0 67 -4,-2.9 3,-2.0 -5,-0.2 -2,-0.2 0.899 106.0 57.4 -66.0 -40.2 24.5 15.0 32.5 62 63 A A H 3<5S+ 0 0 43 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.784 101.0 57.0 -64.6 -29.1 27.3 13.4 30.6 63 64 A A T 3<5S- 0 0 11 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.497 126.6-102.0 -73.2 -8.5 27.5 16.4 28.4 64 65 A G T < 5S+ 0 0 64 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.530 89.9 105.1 98.3 10.0 28.1 18.6 31.5 65 66 A L < - 0 0 16 -5,-2.1 -1,-0.3 -6,-0.1 2,-0.3 -0.322 58.1-133.8-110.9-173.0 24.6 19.9 31.6 66 67 A S > - 0 0 63 -2,-0.1 3,-1.6 -3,-0.1 4,-0.1 -0.866 32.1 -94.2-139.9 175.6 21.5 19.2 33.8 67 68 A V G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 31,-0.1 0.826 119.3 62.2 -59.5 -37.6 17.8 18.5 33.5 68 69 A G G 3 S+ 0 0 24 1,-0.3 -1,-0.3 29,-0.2 32,-0.2 0.476 95.1 65.2 -69.5 -2.2 16.9 22.2 34.0 69 70 A D G < S+ 0 0 25 -3,-1.6 56,-2.2 30,-0.1 2,-0.4 0.439 75.1 106.9 -89.7 -9.7 18.9 22.9 30.7 70 71 A I E < +E 124 0A 4 -3,-1.7 54,-0.3 54,-0.2 3,-0.1 -0.607 38.7 170.6 -75.8 128.9 16.4 20.9 28.6 71 72 A I E + 0 0 2 52,-3.1 32,-2.6 -2,-0.4 2,-0.4 0.607 62.6 30.8-114.8 -21.6 14.3 23.3 26.5 72 73 A K E +Ef 123 103A 7 51,-1.7 51,-2.2 30,-0.2 2,-0.4 -0.996 56.8 177.4-143.1 133.5 12.5 20.9 24.2 73 74 A M E -Ef 122 104A 0 30,-1.9 32,-1.5 -2,-0.4 2,-0.5 -0.996 13.3-158.7-129.8 143.0 11.2 17.3 24.4 74 75 A T E -Ef 121 105A 5 47,-2.4 47,-2.0 -2,-0.4 2,-0.6 -0.992 11.8-162.2-112.2 125.1 9.3 15.2 21.9 75 76 A V E -Ef 120 106A 2 30,-3.2 32,-1.7 -2,-0.5 2,-0.6 -0.918 3.4-169.1-112.4 103.7 7.4 12.3 23.5 76 77 A F E +Ef 119 107A 5 43,-3.0 43,-2.5 -2,-0.6 2,-0.3 -0.864 17.6 175.9 -90.6 125.0 6.4 9.5 21.1 77 78 A I E -Ef 118 108A 0 30,-2.2 32,-2.6 -2,-0.6 41,-0.2 -0.807 36.9-141.1-128.3 162.5 3.9 7.1 22.8 78 79 A T S S+ 0 0 39 39,-2.0 2,-0.3 1,-0.3 40,-0.1 0.613 89.5 30.5 -99.4 -11.3 1.9 4.0 21.8 79 80 A D > - 0 0 59 38,-0.4 3,-1.9 28,-0.1 -1,-0.3 -0.867 54.4-159.1-156.8 111.9 -1.3 4.8 23.8 80 81 A L G > S+ 0 0 20 -2,-0.3 3,-2.0 1,-0.3 4,-0.3 0.741 94.5 70.6 -59.4 -25.7 -2.8 8.2 24.9 81 82 A N G 3 S+ 0 0 125 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.711 93.6 57.3 -62.6 -20.3 -4.7 6.4 27.7 82 83 A D G <> S+ 0 0 26 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.446 83.8 96.2 -81.5 -1.5 -1.2 6.1 29.3 83 84 A F H <> S+ 0 0 45 -3,-2.0 4,-3.3 1,-0.2 -1,-0.2 0.841 76.0 49.4 -63.6 -42.6 -0.9 9.9 29.1 84 85 A A H > S+ 0 0 80 -3,-0.3 4,-1.6 -4,-0.3 -1,-0.2 0.868 114.7 46.5 -65.9 -43.1 -2.0 10.9 32.6 85 86 A T H > S+ 0 0 63 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.896 114.9 47.7 -59.4 -47.7 0.4 8.3 34.2 86 87 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.948 110.8 51.7 -60.5 -46.2 3.2 9.5 31.8 87 88 A N H X S+ 0 0 28 -4,-3.3 4,-2.7 -5,-0.2 -1,-0.2 0.870 108.5 51.9 -55.6 -41.0 2.4 13.2 32.6 88 89 A E H X S+ 0 0 49 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.916 112.8 43.1 -64.2 -46.3 2.6 12.4 36.4 89 90 A V H X S+ 0 0 17 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.910 116.7 48.1 -62.5 -43.8 6.1 10.8 36.1 90 91 A Y H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.851 111.9 48.6 -70.8 -43.0 7.3 13.5 33.8 91 92 A K H X S+ 0 0 92 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.942 113.3 47.6 -59.2 -50.6 6.0 16.3 36.0 92 93 A Q H X S+ 0 0 122 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.893 108.8 56.6 -56.5 -45.3 7.6 14.7 39.1 93 94 A F H < S+ 0 0 0 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.897 114.1 36.5 -51.4 -52.5 10.9 14.3 37.1 94 95 A F H ><>S+ 0 0 0 -4,-1.7 5,-3.3 1,-0.2 3,-0.8 0.868 116.2 53.9 -71.8 -41.3 11.2 18.0 36.3 95 96 A D H ><5S+ 0 0 69 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.855 104.9 56.3 -59.5 -40.7 9.8 19.1 39.7 96 97 A E T 3<5S+ 0 0 105 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.682 108.9 44.9 -58.1 -29.4 12.5 16.9 41.4 97 98 A H T < 5S- 0 0 72 -3,-0.8 -1,-0.3 -4,-0.5 -29,-0.2 0.030 114.8-116.7-109.3 19.6 15.3 18.7 39.7 98 99 A Q T < 5 + 0 0 189 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.824 62.8 162.2 41.4 46.2 13.7 21.9 40.4 99 100 A A < - 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