==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-FEB-12 4DQ0 . COMPND 2 MOLECULE: TELLURITE RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.TAN,C.HATZOS-SKINTGES,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER . 784 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 11.1 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 81 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 6 6 2 2 0 4 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 0 8 4 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 . 2 0 0 3 3 2 4 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 . 3 1 0 0 0 4 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 I 0 0 171 0, 0.0 2,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 128.8 5.6 16.8 27.4 2 4 A R + 0 0 73 46,-0.2 2,-0.1 4,-0.1 46,-0.0 -0.590 360.0 138.7 -82.6 83.4 7.6 16.8 24.1 3 5 A D S >> S- 0 0 60 -2,-1.6 3,-0.6 46,-0.0 4,-0.6 -0.288 72.5 -72.0-109.4-162.0 6.1 19.9 22.4 4 6 A E T 34 S+ 0 0 55 1,-0.2 12,-0.8 2,-0.1 4,-0.1 0.471 131.6 45.2 -80.6 1.2 7.8 22.7 20.4 5 7 A N T 3> S+ 0 0 58 10,-0.1 4,-2.6 3,-0.1 5,-0.4 0.525 93.1 81.1-111.2 -13.4 9.4 24.2 23.5 6 8 A Y H <> S+ 0 0 50 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.967 105.0 25.2 -60.5 -62.7 10.7 21.0 25.1 7 9 A F H X S+ 0 0 4 -4,-0.6 4,-2.6 2,-0.2 6,-0.5 0.880 119.4 62.5 -69.7 -39.4 13.9 20.4 23.1 8 10 A T H >>S+ 0 0 8 1,-0.2 5,-1.2 2,-0.2 4,-0.5 0.923 116.0 29.0 -49.2 -53.2 14.2 24.2 22.3 9 11 A D H <5S+ 0 0 115 -4,-2.6 3,-0.3 3,-0.2 -2,-0.2 0.914 121.3 50.8 -77.6 -47.0 14.5 25.1 26.0 10 12 A K H <5S+ 0 0 110 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.850 126.1 23.2 -62.1 -36.1 16.2 21.9 27.3 11 13 A Y H <5S- 0 0 27 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.297 104.3-113.3-121.4 11.4 19.0 21.8 24.8 12 14 A E T <5 + 0 0 179 -4,-0.5 2,-0.3 -3,-0.3 -3,-0.2 0.934 62.7 151.6 59.6 50.8 19.2 25.4 23.6 13 15 A L < - 0 0 19 -5,-1.2 -1,-0.2 -6,-0.5 3,-0.1 -0.762 55.0 -91.3-110.4 157.0 18.0 24.7 20.0 14 16 A T - 0 0 36 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.409 61.2 -91.5 -58.8 139.8 16.2 26.9 17.5 15 17 A R - 0 0 37 1,-0.1 -1,-0.1 361,-0.1 3,-0.1 -0.209 52.5 -82.4 -57.3 145.1 12.4 26.4 18.0 16 18 A T - 0 0 3 -12,-0.8 -1,-0.1 25,-0.2 2,-0.1 -0.167 60.7 -95.3 -44.8 135.4 10.7 23.8 15.9 17 19 A H >> - 0 0 9 1,-0.1 4,-1.9 -3,-0.1 3,-1.2 -0.379 26.5-129.0 -62.7 133.5 9.9 25.3 12.4 18 20 A S H 3> S+ 0 0 23 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.823 107.0 54.5 -47.9 -42.7 6.4 26.7 12.1 19 21 A E H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.773 105.5 52.3 -71.2 -26.2 5.7 24.7 8.9 20 22 A V H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.916 108.1 51.6 -72.2 -43.0 6.6 21.4 10.6 21 23 A L H < S+ 0 0 26 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.872 114.3 44.0 -59.8 -38.9 4.2 22.2 13.4 22 24 A E H >< S+ 0 0 88 -4,-2.0 3,-1.7 -5,-0.2 4,-0.3 0.909 109.5 57.4 -68.5 -41.3 1.5 22.9 10.8 23 25 A A H >X S+ 0 0 3 -4,-2.2 4,-3.1 1,-0.3 3,-1.9 0.827 95.2 62.1 -64.8 -33.6 2.5 19.8 8.7 24 26 A V T 3< S+ 0 0 37 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.529 89.9 72.8 -73.7 -3.5 1.9 17.3 11.6 25 27 A K T <4 S+ 0 0 148 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.659 117.4 16.2 -78.8 -17.8 -1.7 18.4 11.6 26 28 A V T <4 S+ 0 0 67 -3,-1.9 2,-0.7 -4,-0.3 -2,-0.2 0.658 112.7 76.3-121.4 -35.4 -2.2 16.5 8.3 27 29 A V S < S- 0 0 5 -4,-3.1 -1,-0.2 3,-0.0 3,-0.1 -0.725 74.3-144.9 -83.6 114.6 0.8 14.2 8.0 28 30 A K - 0 0 168 -2,-0.7 -3,-0.1 1,-0.2 -2,-0.0 -0.327 37.8 -75.5 -70.7 158.0 0.3 11.2 10.3 29 31 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.286 78.2 124.3 -54.0 138.9 3.3 9.6 12.1 30 32 A G - 0 0 16 -3,-0.1 22,-1.5 66,-0.0 2,-0.4 -0.946 63.9 -34.8-175.0-171.3 5.3 7.5 9.6 31 33 A K E -a 52 0A 73 -2,-0.3 64,-2.5 20,-0.2 65,-1.7 -0.528 67.1-169.3 -75.1 125.0 8.7 6.9 8.1 32 34 A T E -ab 53 96A 0 20,-3.8 22,-3.1 -2,-0.4 2,-0.5 -0.912 26.1-159.0-131.6 138.2 10.4 10.2 7.7 33 35 A L E -ab 54 97A 0 63,-2.6 65,-2.7 -2,-0.4 2,-1.0 -0.963 4.8-165.2-115.0 117.2 13.5 11.9 6.1 34 36 A D E > -ab 55 98A 0 20,-2.8 22,-2.0 -2,-0.5 2,-1.1 -0.836 16.2-158.0 -99.0 94.1 14.7 15.2 7.5 35 37 A L E 3 S+a 56 0A 2 63,-2.3 22,-0.1 -2,-1.0 20,-0.1 -0.628 79.1 4.1 -83.8 97.3 17.0 16.2 4.7 36 38 A G T 3 S- 0 0 5 20,-2.0 -1,-0.3 -2,-1.1 21,-0.3 0.863 76.1-174.2 90.0 61.6 19.4 18.7 6.2 37 39 A C X - 0 0 5 19,-2.5 3,-2.4 -3,-0.6 5,-0.4 0.588 12.6-167.2 -67.6 -9.0 18.2 18.4 9.8 38 40 A G T 3 S- 0 0 14 18,-0.3 -1,-0.2 1,-0.3 304,-0.1 -0.395 73.3 -5.5 56.7-123.2 20.5 21.2 10.9 39 41 A N T 3 S- 0 0 12 -2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.456 102.9-109.7 -80.2 -1.0 20.6 21.2 14.7 40 42 A G S <> S+ 0 0 0 -3,-2.4 4,-3.7 16,-0.1 5,-0.4 0.393 75.1 135.7 91.2 -1.6 17.9 18.5 14.8 41 43 A R H > S+ 0 0 43 -4,-0.3 4,-2.3 1,-0.2 -25,-0.2 0.892 80.7 37.3 -45.0 -52.2 15.0 20.6 16.2 42 44 A N H > S+ 0 0 2 -5,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.881 117.1 51.3 -70.0 -40.2 12.6 19.2 13.7 43 45 A S H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 5,-0.2 0.931 113.0 45.7 -62.8 -46.0 14.0 15.6 13.8 44 46 A L H X S+ 0 0 0 -4,-3.7 4,-2.3 2,-0.2 -2,-0.2 0.960 112.2 50.6 -60.6 -53.5 13.8 15.6 17.6 45 47 A Y H < S+ 0 0 30 -4,-2.3 4,-0.4 -5,-0.4 -1,-0.2 0.904 116.0 43.0 -47.9 -46.2 10.3 17.0 17.7 46 48 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 3,-0.9 0.903 112.1 49.8 -74.5 -42.9 9.1 14.4 15.2 47 49 A A H ><5S+ 0 0 4 -4,-2.8 3,-1.0 1,-0.3 -1,-0.2 0.859 109.6 54.6 -63.5 -32.2 10.9 11.4 16.7 48 50 A A T 3<5S+ 0 0 22 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.627 107.6 51.4 -77.1 -13.8 9.4 12.4 20.0 49 51 A N T < 5S- 0 0 66 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.013 129.8 -82.2-115.2 29.3 5.9 12.3 18.6 50 52 A G T < 5S+ 0 0 51 -3,-1.0 2,-0.2 1,-0.3 -3,-0.2 0.322 84.2 131.2 98.3 -7.8 5.9 8.9 16.9 51 53 A Y < - 0 0 7 -5,-2.3 2,-0.9 -22,-0.1 -1,-0.3 -0.564 56.5-131.7 -79.7 140.8 7.6 9.5 13.6 52 54 A D E -a 31 0A 64 -22,-1.5 -20,-3.8 -2,-0.2 2,-0.4 -0.826 39.4-162.6 -90.5 105.0 10.4 7.1 12.5 53 55 A V E -ac 32 78A 0 24,-1.9 26,-2.6 -2,-0.9 2,-0.6 -0.752 30.0-164.9-107.5 130.6 13.1 9.7 11.5 54 56 A D E -ac 33 79A 22 -22,-3.1 -20,-2.8 -2,-0.4 2,-0.6 -0.956 22.1-163.7-100.2 112.4 16.2 9.6 9.4 55 57 A A E +ac 34 80A 0 24,-3.3 26,-2.2 -2,-0.6 2,-0.4 -0.880 11.5 177.6-104.2 116.2 18.1 12.8 10.3 56 58 A W E +ac 35 81A 13 -22,-2.0 -19,-2.5 -2,-0.6 -20,-2.0 -0.936 8.7 150.4-122.7 139.8 20.9 13.8 7.9 57 59 A D E - c 0 82A 20 24,-1.9 26,-2.1 -2,-0.4 27,-0.1 -0.980 45.6-126.0-157.9 162.2 23.2 16.8 7.8 58 60 A K S S+ 0 0 131 -2,-0.3 2,-0.9 24,-0.2 26,-0.1 0.702 86.1 90.5 -85.6 -19.8 26.7 17.8 6.6 59 61 A N > - 0 0 31 1,-0.2 4,-2.1 282,-0.1 3,-0.2 -0.677 58.8-165.0 -84.2 105.5 27.8 19.1 10.0 60 62 A A H > S+ 0 0 62 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.837 86.8 56.1 -55.8 -38.2 29.3 16.3 12.0 61 63 A M H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 107.7 46.3 -62.2 -48.6 29.1 18.3 15.3 62 64 A S H > S+ 0 0 6 2,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.920 113.2 50.6 -58.2 -48.6 25.4 18.9 15.0 63 65 A I H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.884 110.3 49.2 -57.7 -41.0 24.9 15.2 14.2 64 66 A A H X S+ 0 0 60 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.907 111.3 50.6 -64.0 -39.7 27.0 14.3 17.2 65 67 A N H X S+ 0 0 45 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.893 110.4 48.5 -62.3 -41.5 24.9 16.6 19.3 66 68 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.923 111.1 50.5 -65.9 -42.5 21.7 15.0 18.0 67 69 A E H X S+ 0 0 75 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.880 110.3 50.7 -58.4 -42.2 23.2 11.6 18.8 68 70 A R H X S+ 0 0 122 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.950 112.9 44.2 -61.3 -51.5 24.0 12.7 22.3 69 71 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.853 108.6 59.7 -62.8 -35.1 20.5 14.0 22.9 70 72 A K H X>S+ 0 0 38 -4,-2.5 5,-1.6 1,-0.2 4,-0.8 0.924 105.3 48.5 -58.3 -45.7 19.1 10.9 21.3 71 73 A S H <5S+ 0 0 89 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.903 112.4 47.4 -62.4 -44.8 20.8 8.8 24.0 72 74 A I H <5S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.917 117.8 40.7 -62.5 -43.8 19.5 10.9 26.9 73 75 A E H <5S- 0 0 17 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.475 103.6-129.9 -86.6 -4.0 15.9 11.0 25.6 74 76 A N T <5 + 0 0 120 -4,-0.8 2,-1.6 -3,-0.4 -3,-0.2 0.850 41.6 169.6 55.9 39.0 16.0 7.3 24.6 75 77 A L > < + 0 0 9 -5,-1.6 3,-1.3 -6,-0.2 -1,-0.2 -0.612 7.0 173.8 -81.2 83.8 14.6 8.1 21.1 76 78 A D T 3 S+ 0 0 128 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.620 71.8 62.6 -66.4 -12.4 15.2 4.7 19.5 77 79 A N T 3 S+ 0 0 38 -30,-0.1 -24,-1.9 -3,-0.1 2,-0.5 0.187 83.2 89.3-103.7 14.1 13.3 5.8 16.4 78 80 A L E < -c 53 0A 0 -3,-1.3 2,-0.4 -26,-0.2 -24,-0.2 -0.969 53.3-178.0-116.8 120.7 15.8 8.6 15.4 79 81 A H E -c 54 0A 81 -26,-2.6 -24,-3.3 -2,-0.5 2,-0.3 -0.981 9.1-154.9-125.9 129.7 18.7 7.6 13.2 80 82 A T E +c 55 0A 29 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.743 12.6 179.8-108.6 151.1 21.4 10.1 12.1 81 83 A R E -c 56 0A 153 -26,-2.2 -24,-1.9 -2,-0.3 2,-0.6 -0.992 25.2-134.1-142.2 144.1 23.8 10.3 9.1 82 84 A V E +c 57 0A 79 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.867 42.8 163.0 -94.9 121.1 26.5 12.9 8.2 83 85 A V - 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