==== 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 10-APR-07 2UYJ . 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 . 383 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 68.1 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 . 24 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 22.7 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 0 3 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 1 A M 0 0 120 0, 0.0 22,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 -19.0 31.6 22.1 17.8 2 2 A K + 0 0 73 1,-0.2 2,-0.4 325,-0.1 21,-0.2 0.953 360.0 164.3 37.8 100.0 30.7 18.4 17.4 3 3 A K E -A 22 0A 53 19,-1.5 19,-2.7 2,-0.0 2,-0.3 -0.985 34.6-127.7-133.2 126.4 31.6 16.1 20.3 4 4 A I E -A 21 0A 75 -2,-0.4 2,-0.5 17,-0.2 17,-0.2 -0.597 19.3-140.5 -68.0 127.6 30.1 12.6 20.5 5 5 A I E +A 20 0A 8 15,-2.8 15,-1.0 -2,-0.3 14,-0.6 -0.832 24.9 176.8 -94.6 126.4 28.4 11.9 23.9 6 6 A E + 0 0 172 -2,-0.5 2,-0.3 13,-0.1 3,-0.1 -0.999 2.7 168.8-133.6 124.6 29.1 8.3 25.1 7 7 A T > - 0 0 25 -2,-0.4 3,-0.6 4,-0.1 53,-0.1 -0.999 38.1-153.9-146.6 144.3 27.9 6.9 28.5 8 8 A Q T 3 S+ 0 0 80 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.651 97.1 72.4 -82.7 -17.0 27.6 3.6 30.3 9 9 A R T 3 S+ 0 0 184 50,-0.1 -1,-0.2 2,-0.1 50,-0.2 0.437 98.1 49.3 -79.9 -7.2 24.7 5.2 32.3 10 10 A A S < S- 0 0 3 -3,-0.6 3,-0.1 49,-0.1 -3,-0.1 -0.883 108.3 -78.8-123.6 162.3 22.4 5.1 29.3 11 11 A P - 0 0 21 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.342 58.2 -95.3 -65.8 141.6 21.7 2.0 27.0 12 12 A G - 0 0 58 25,-0.3 2,-0.3 1,-0.2 -4,-0.1 -0.268 40.9 -99.5 -65.0 134.9 24.4 1.3 24.4 13 13 A A - 0 0 45 1,-0.2 -1,-0.2 -3,-0.1 6,-0.0 -0.358 44.5-173.9 -50.1 105.0 23.9 2.6 21.0 14 14 A I + 0 0 130 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.989 60.8 18.9 -73.4 -65.7 22.6 -0.6 19.4 15 15 A G S S- 0 0 22 1,-0.1 2,-2.1 3,-0.0 331,-0.0 0.141 117.6 -42.0 -89.0-156.0 22.4 0.4 15.7 16 16 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.419 102.1 86.2 -80.3 70.4 24.0 3.2 13.6 17 17 A Y - 0 0 57 -2,-2.1 2,-0.3 342,-0.2 344,-0.2 -0.978 66.3-125.8-152.0 165.2 23.6 6.2 16.0 18 18 A V - 0 0 20 342,-1.5 344,-0.4 -2,-0.3 -12,-0.1 -0.835 26.4-123.6-107.3 155.6 25.4 8.0 18.9 19 19 A Q S S- 0 0 9 -14,-0.6 11,-2.8 -2,-0.3 2,-0.3 0.849 84.5 -9.6 -64.0 -39.3 23.6 8.6 22.2 20 20 A G E -AB 5 29A 0 -15,-1.0 -15,-2.8 9,-0.3 2,-0.3 -0.976 55.2-146.4-155.6 158.1 24.2 12.4 22.2 21 21 A V E -AB 4 28A 6 7,-2.0 7,-2.2 -2,-0.3 2,-0.6 -0.996 9.8-151.9-133.4 141.4 26.0 15.2 20.4 22 22 A D E +AB 3 27A 15 -19,-2.7 -19,-1.5 -2,-0.3 5,-0.2 -0.949 14.1 177.7-117.6 115.7 27.4 18.3 22.0 23 23 A L - 0 0 15 3,-3.1 2,-1.3 -2,-0.6 4,-0.1 0.133 51.2-110.7-102.1 14.0 27.6 21.3 19.7 24 24 A G S S+ 0 0 23 2,-0.2 103,-0.1 1,-0.2 3,-0.1 -0.589 113.0 37.0 88.6 -76.3 28.9 23.6 22.4 25 25 A S S S+ 0 0 81 -2,-1.3 102,-2.2 1,-0.1 2,-0.3 0.794 126.8 34.3 -73.7 -33.2 25.8 25.9 22.7 26 26 A M E - C 0 126A 13 100,-0.2 -3,-3.1 101,-0.1 2,-0.4 -0.951 61.0-158.2-128.2 146.1 23.4 22.9 22.2 27 27 A V E -BC 22 125A 2 98,-3.6 98,-2.7 -2,-0.3 2,-0.4 -0.990 8.9-164.8-120.9 134.8 23.1 19.2 23.0 28 28 A F E -BC 21 124A 5 -7,-2.2 -7,-2.0 -2,-0.4 2,-0.3 -0.966 6.4-156.6-113.8 132.3 20.9 16.7 21.1 29 29 A T E -B 20 0A 1 94,-2.4 -9,-0.3 -2,-0.4 94,-0.2 -0.782 22.7-113.7 -97.4 148.6 20.1 13.2 22.5 30 30 A S - 0 0 0 -11,-2.8 2,-0.4 -2,-0.3 333,-0.3 -0.336 57.1 -76.5 -56.2 158.1 19.0 10.2 20.4 31 31 A G - 0 0 14 331,-2.0 2,-0.5 91,-0.2 91,-0.3 -0.571 55.3-140.2 -62.3 121.0 15.4 9.1 21.1 32 32 A Q B -D 121 0A 12 89,-2.9 89,-2.5 -2,-0.4 25,-0.1 -0.776 18.2-168.5 -95.1 124.6 15.6 7.3 24.4 33 33 A I - 0 0 26 -2,-0.5 2,-2.4 87,-0.2 87,-0.2 -0.680 41.2 -91.8-103.5 159.1 13.5 4.2 25.0 34 34 A P S S+ 0 0 0 0, 0.0 2,-0.5 0, 0.0 19,-0.1 -0.413 72.2 141.1 -69.9 66.6 12.9 2.4 28.4 35 35 A V - 0 0 11 -2,-2.4 7,-0.2 7,-0.1 6,-0.1 -0.942 57.4-119.4-108.5 127.9 15.9 -0.0 28.0 36 36 A X > - 0 0 72 5,-2.3 4,-2.8 -2,-0.5 5,-0.1 -0.555 17.1-144.5 -71.5 122.5 17.7 -0.6 31.2 37 37 A P T 4 S+ 0 0 34 0, 0.0 -25,-0.3 0, 0.0 -1,-0.2 0.903 96.4 36.8 -55.1 -45.9 21.4 0.5 30.7 38 38 A Q T 4 S+ 0 0 142 1,-0.1 -2,-0.1 -29,-0.1 -29,-0.0 0.837 132.5 22.0 -74.2 -38.8 22.9 -2.3 32.8 39 39 A T T 4 S- 0 0 97 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.624 87.3-128.4-109.6 -11.6 20.6 -5.2 32.0 40 40 A G < + 0 0 42 -4,-2.8 2,-0.1 1,-0.2 -2,-0.0 0.478 60.3 144.0 71.8 3.0 18.9 -4.5 28.6 41 41 A E - 0 0 51 -6,-0.1 -5,-2.3 -5,-0.1 -1,-0.2 -0.430 46.3-141.8 -76.0 146.2 15.4 -5.2 30.2 42 42 A I - 0 0 64 -7,-0.2 -7,-0.1 -2,-0.1 7,-0.1 -0.930 22.3-129.3-101.7 117.9 12.3 -3.3 29.3 43 43 A P - 0 0 33 0, 0.0 6,-0.0 0, 0.0 9,-0.0 -0.418 11.6-140.6 -65.7 146.6 10.1 -2.7 32.4 44 44 A A S S+ 0 0 83 4,-0.1 2,-0.2 73,-0.0 -2,-0.0 0.888 75.0 79.1 -76.5 -40.1 6.5 -3.8 31.8 45 45 A D S > S- 0 0 107 1,-0.1 4,-2.4 4,-0.0 5,-0.1 -0.474 76.9-133.1 -75.9 140.6 4.5 -1.0 33.6 46 46 A V H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.783 105.6 58.3 -61.1 -30.3 4.1 2.3 31.8 47 47 A Q H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.944 110.4 41.6 -62.1 -51.4 5.2 4.2 35.0 48 48 A D H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.876 114.7 52.5 -65.6 -37.1 8.5 2.4 35.1 49 49 A Q H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.911 111.1 46.5 -61.6 -47.1 8.9 2.9 31.3 50 50 A A H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.913 115.0 47.0 -58.8 -49.0 8.2 6.6 31.6 51 51 A R H X S+ 0 0 57 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.877 111.4 51.8 -60.0 -43.4 10.6 6.9 34.5 52 52 A L H X S+ 0 0 21 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.893 107.8 48.9 -68.8 -40.0 13.3 4.9 32.7 53 53 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.923 111.1 51.3 -64.4 -44.6 13.3 6.9 29.4 54 54 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.871 109.9 50.1 -55.5 -38.5 13.6 10.1 31.3 55 55 A E H X S+ 0 0 54 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.817 109.3 51.1 -68.0 -38.1 16.6 8.6 33.3 56 56 A N H X S+ 0 0 2 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.866 110.0 48.9 -66.8 -38.8 18.2 7.6 30.1 57 57 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.934 111.7 51.3 -61.9 -49.6 17.8 11.2 28.7 58 58 A K H X S+ 0 0 60 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.886 105.1 55.7 -47.7 -52.4 19.2 12.5 32.0 59 59 A A H X S+ 0 0 10 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.883 111.5 42.4 -57.1 -44.4 22.3 10.2 31.7 60 60 A I H X S+ 0 0 0 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.875 114.2 50.2 -69.6 -39.6 23.2 11.5 28.3 61 61 A V H <>S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 3,-0.4 0.901 114.1 46.2 -67.1 -42.6 22.6 15.2 29.1 62 62 A V H ><5S+ 0 0 68 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.834 103.9 60.8 -64.0 -41.4 24.7 14.9 32.3 63 63 A A H 3<5S+ 0 0 48 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.788 102.0 56.5 -59.3 -25.5 27.5 13.1 30.4 64 64 A A T 3<5S- 0 0 12 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.401 127.4 -98.8 -80.7 -3.2 27.8 16.3 28.3 65 65 A G T < 5S+ 0 0 58 -3,-1.9 -3,-0.2 1,-0.3 2,-0.1 0.602 90.9 104.6 91.8 15.4 28.3 18.5 31.4 66 66 A L < - 0 0 16 -5,-1.8 -1,-0.3 -6,-0.1 2,-0.3 -0.417 56.7-136.1-115.8-170.9 24.7 19.6 31.7 67 67 A S > - 0 0 62 -2,-0.1 3,-2.1 -3,-0.1 4,-0.2 -0.908 35.3 -94.4-140.2 170.7 21.7 18.9 33.8 68 68 A V G > S+ 0 0 2 -2,-0.3 3,-1.6 1,-0.3 31,-0.1 0.777 119.3 66.0 -53.2 -33.1 17.9 18.3 33.4 69 69 A G G 3 S+ 0 0 22 1,-0.3 -1,-0.3 29,-0.2 32,-0.3 0.550 93.6 60.1 -70.1 -8.5 17.3 22.0 34.1 70 70 A D G < S+ 0 0 23 -3,-2.1 56,-2.3 30,-0.1 2,-0.5 0.451 76.3 112.3 -92.5 -7.2 19.1 22.8 30.8 71 71 A I E < +E 125 0A 4 -3,-1.6 54,-0.3 54,-0.2 3,-0.1 -0.594 35.1 169.2 -71.2 119.6 16.6 20.7 28.7 72 72 A I E + 0 0 3 52,-2.5 32,-2.4 -2,-0.5 2,-0.3 0.631 60.7 30.0-107.1 -19.5 14.6 23.2 26.6 73 73 A K E +Ef 124 104A 9 51,-1.7 51,-2.3 30,-0.2 2,-0.3 -0.996 56.5 176.2-147.9 132.7 12.7 20.8 24.2 74 74 A M E -Ef 123 105A 1 30,-1.8 32,-1.5 -2,-0.3 2,-0.5 -0.999 14.9-158.6-132.4 141.9 11.4 17.2 24.3 75 75 A T E -Ef 122 106A 4 47,-2.2 47,-1.8 -2,-0.3 2,-0.7 -0.987 12.2-163.2-112.2 126.5 9.4 15.1 21.9 76 76 A V E -Ef 121 107A 1 30,-3.3 32,-1.4 -2,-0.5 2,-0.5 -0.894 2.5-168.0-114.0 96.7 7.5 12.2 23.6 77 77 A F E +Ef 120 108A 3 43,-2.7 43,-2.9 -2,-0.7 2,-0.3 -0.777 17.7 176.9 -82.2 124.8 6.4 9.6 21.0 78 78 A I E -Ef 119 109A 0 30,-2.7 32,-2.5 -2,-0.5 41,-0.2 -0.840 35.6-144.1-127.7 163.0 4.0 7.2 22.8 79 79 A T S S+ 0 0 40 39,-2.2 2,-0.3 -2,-0.3 40,-0.1 0.573 88.9 36.1-104.1 -11.7 1.9 4.2 21.7 80 80 A D > - 0 0 55 38,-0.5 3,-1.8 1,-0.1 -1,-0.3 -0.872 54.2-163.9-145.4 110.9 -1.2 4.9 23.9 81 81 A L G > S+ 0 0 20 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 0.766 93.3 68.8 -59.8 -26.4 -2.7 8.3 24.8 82 82 A N G 3 S+ 0 0 123 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.696 94.5 57.6 -60.8 -19.7 -4.6 6.6 27.6 83 83 A D G <> S+ 0 0 29 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.407 83.2 96.1 -80.9 -3.8 -1.2 6.1 29.3 84 84 A F H <> S+ 0 0 50 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.867 73.6 53.6 -67.7 -41.5 -0.8 9.8 29.1 85 85 A A H > S+ 0 0 80 -3,-0.3 4,-1.3 -4,-0.3 -1,-0.2 0.881 114.8 43.4 -54.1 -44.0 -2.0 10.8 32.6 86 86 A T H > S+ 0 0 63 -4,-0.2 4,-2.4 -3,-0.2 5,-0.2 0.892 113.9 49.4 -70.3 -45.2 0.6 8.4 34.1 87 87 A I H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.923 112.8 48.8 -57.7 -43.8 3.4 9.4 31.8 88 88 A N H X S+ 0 0 23 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.801 109.4 51.4 -68.6 -34.6 2.7 13.1 32.6 89 89 A E H X S+ 0 0 46 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.946 114.3 43.4 -68.2 -49.1 2.7 12.5 36.3 90 90 A V H X S+ 0 0 19 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.919 115.3 50.3 -55.7 -45.4 6.1 10.7 36.1 91 91 A Y H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.2 -2,-0.2 0.841 111.2 47.0 -69.1 -38.3 7.3 13.4 33.8 92 92 A K H X S+ 0 0 92 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.915 110.9 52.7 -64.3 -48.0 6.2 16.3 36.0 93 93 A Q H X S+ 0 0 116 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.856 106.5 55.2 -55.2 -40.9 7.8 14.6 39.1 94 94 A F H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.867 111.9 39.9 -60.5 -48.0 11.1 14.3 37.2 95 95 A F H ><>S+ 0 0 0 -4,-1.4 5,-2.3 2,-0.2 3,-1.0 0.967 117.5 50.3 -70.6 -47.0 11.5 18.0 36.4 96 96 A D H ><5S+ 0 0 69 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.918 106.2 55.3 -49.2 -55.1 10.2 18.9 39.9 97 97 A E H 3<5S+ 0 0 121 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.765 112.9 43.5 -46.0 -34.6 12.6 16.5 41.6 98 98 A H T <<5S- 0 0 71 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.266 111.3-120.1-102.6 7.3 15.4 18.3 39.7 99 99 A Q T < 5 + 0 0 192 -3,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.894 62.6 156.8 52.9 46.8 14.1 21.8 40.4 100 100 A A < - 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