==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN, OXIDOREDUCTASE 30-MAY-12 2LTQ . COMPND 2 MOLECULE: DISULFIDE BOND FORMATION PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.TANG,L.J.SPERLING,C.D.SCHWIETERS,A.E.NESBITT,R.B.GENNIS, . 1162 13 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 728 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 301 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 115 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 2 3 0 0 0 0 1 0 0 0 0 0 2 2 1 0 0 0 0 0 1 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 0 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 PARALLEL BRIDGES PER LADDER . 14 9 6 6 11 10 2 0 2 1 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 0 11 3 0 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 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 10 A Q 0 0 152 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 27.0 -72.9 -8.0 -112.1 2 11 A G > - 0 0 16 1,-0.1 4,-2.6 55,-0.1 5,-0.3 -0.904 360.0 -83.7-150.9 179.1 -70.0 -7.9 -114.6 3 12 A R H > S+ 0 0 171 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.900 128.1 47.3 -56.5 -43.8 -66.2 -8.1 -114.9 4 13 A G H > S+ 0 0 54 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.951 111.1 49.3 -63.2 -51.5 -66.0 -4.3 -114.2 5 14 A A H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.900 117.1 41.2 -56.1 -43.7 -68.3 -4.5 -111.1 6 15 A W H X S+ 0 0 50 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.931 115.8 50.1 -70.8 -47.5 -66.4 -7.4 -109.6 7 16 A L H X S+ 0 0 76 -4,-2.9 4,-3.6 -5,-0.3 5,-0.2 0.878 107.5 55.0 -61.5 -35.5 -63.0 -5.9 -110.6 8 17 A L H X S+ 0 0 85 -4,-3.2 4,-3.8 2,-0.2 5,-0.2 0.967 112.4 42.5 -60.4 -52.1 -64.0 -2.5 -109.0 9 18 A M H X S+ 0 0 57 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.910 116.8 46.8 -63.4 -41.3 -64.7 -4.2 -105.7 10 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.921 118.3 43.2 -65.5 -40.8 -61.6 -6.4 -105.9 11 20 A F H X S+ 0 0 145 -4,-3.6 4,-3.6 -5,-0.2 5,-0.3 0.985 110.5 53.9 -66.0 -59.8 -59.5 -3.3 -106.8 12 21 A T H X S+ 0 0 51 -4,-3.8 4,-4.0 -5,-0.2 5,-0.3 0.852 116.3 40.1 -43.9 -44.6 -61.1 -1.0 -104.3 13 22 A A H X S+ 0 0 2 -4,-2.0 4,-3.6 2,-0.2 5,-0.5 0.940 114.1 50.4 -73.2 -45.6 -60.3 -3.5 -101.5 14 23 A L H X S+ 0 0 67 -4,-2.7 4,-1.0 -5,-0.2 -2,-0.2 0.894 123.4 36.1 -57.9 -37.0 -56.8 -4.5 -102.8 15 24 A A H X S+ 0 0 33 -4,-3.6 4,-2.6 -5,-0.2 -2,-0.2 0.967 122.5 40.7 -78.5 -57.6 -56.2 -0.8 -102.9 16 25 A L H < S+ 0 0 88 -4,-4.0 4,-0.2 -5,-0.3 -3,-0.2 0.866 123.7 42.0 -59.7 -40.5 -58.1 0.4 -99.8 17 26 A E H < S+ 0 0 19 -4,-3.6 3,-0.4 -5,-0.3 -1,-0.2 0.771 112.4 51.7 -82.6 -24.2 -56.9 -2.5 -97.8 18 27 A L H >< S+ 0 0 90 -4,-1.0 3,-3.3 -5,-0.5 4,-0.4 0.887 93.6 71.9 -77.3 -36.9 -53.3 -2.5 -99.1 19 28 A T G >< S+ 0 0 66 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.759 77.2 86.6 -47.1 -22.5 -53.0 1.3 -98.2 20 29 A A G 3 S+ 0 0 44 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.787 85.0 51.3 -47.2 -35.2 -53.0 -0.3 -94.7 21 30 A L G < S+ 0 0 34 -3,-3.3 -1,-0.3 2,-0.1 4,-0.3 0.711 96.0 89.4 -79.1 -20.7 -49.2 -0.7 -95.1 22 31 A W S < S+ 0 0 177 -3,-1.9 2,-1.4 -4,-0.4 0, 0.0 -0.301 95.5 8.4 -75.2 159.5 -48.8 3.0 -96.1 23 32 A F S > S+ 0 0 76 1,-0.2 4,-2.5 -2,-0.0 5,-0.2 0.186 91.1 119.4 56.4 -20.0 -48.1 5.8 -93.6 24 33 A Q T 4 S+ 0 0 18 -2,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.763 74.7 49.8 -38.2 -39.2 -47.8 3.0 -91.0 25 34 A H T >4 S+ 0 0 127 -4,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.950 111.1 40.5 -74.9 -51.3 -44.3 4.3 -90.5 26 35 A V T 34 S+ 0 0 104 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.773 103.1 72.9 -67.4 -23.9 -44.6 8.1 -90.0 27 36 A M T 3< S- 0 0 40 -4,-2.5 2,-0.5 1,-0.2 -1,-0.2 0.762 102.8-133.3 -59.9 -25.2 -47.7 7.3 -87.9 28 37 A L S < S+ 0 0 120 -3,-1.4 -1,-0.2 1,-0.7 93,-0.0 -0.494 79.7 106.5 70.4 7.9 -45.2 6.0 -85.2 29 38 A L + 0 0 60 -2,-0.5 -1,-0.7 1,-0.1 -2,-0.1 0.083 31.3 148.5 -76.9 158.6 -47.5 3.0 -85.0 30 39 A K + 0 0 121 1,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.146 37.1 99.9-170.5 -48.9 -45.9 -0.1 -86.6 31 40 A P - 0 0 33 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.400 41.7-174.8 -66.1 113.9 -47.2 -3.2 -84.7 32 41 A S > + 0 0 5 -2,-0.4 3,-1.8 80,-0.2 81,-0.2 0.891 23.9 165.1 -70.1 -45.4 -50.1 -5.0 -86.3 33 42 A V T > S- 0 0 50 79,-0.3 3,-2.5 1,-0.3 4,-0.4 -0.260 73.3 -0.4 58.9-142.0 -50.5 -7.3 -83.4 34 43 A L T >> S+ 0 0 54 1,-0.3 3,-1.2 2,-0.2 4,-1.1 0.790 121.2 83.4 -42.0 -34.4 -53.9 -9.2 -83.5 35 44 A C H <> S+ 0 0 13 -3,-1.8 4,-2.4 1,-0.3 3,-0.4 0.787 76.9 64.1 -45.1 -38.0 -54.4 -7.2 -86.7 36 45 A I H <> S+ 0 0 45 -3,-2.5 4,-1.6 76,-0.3 3,-0.4 0.938 101.1 51.6 -53.8 -46.9 -52.4 -9.8 -88.8 37 46 A Y H <4 S+ 0 0 145 -3,-1.2 4,-0.4 -4,-0.4 -1,-0.3 0.861 115.5 43.4 -54.8 -37.6 -55.1 -12.4 -88.0 38 47 A E H >X S+ 0 0 18 -4,-1.1 3,-0.7 -3,-0.4 4,-0.6 0.712 97.9 69.7 -81.4 -24.9 -57.5 -9.8 -89.3 39 48 A R H >X S+ 0 0 45 -4,-2.4 3,-2.2 -3,-0.4 4,-0.7 0.927 90.2 67.7 -58.7 -38.0 -55.5 -8.8 -92.3 40 49 A V H >X S+ 0 0 97 -4,-1.6 4,-2.1 1,-0.3 3,-0.6 0.844 85.6 66.5 -47.0 -44.6 -56.5 -12.3 -93.5 41 50 A A H <> S+ 0 0 10 -3,-0.7 4,-2.5 -4,-0.4 5,-0.3 0.813 95.3 60.4 -51.0 -30.9 -60.1 -11.2 -93.8 42 51 A L H < S+ 0 0 76 -4,-3.3 3,-1.2 -5,-0.4 -2,-0.2 0.940 122.0 40.2 -75.7 -44.3 -60.9 -15.2 -107.9 52 61 A G H >< S+ 0 0 6 -4,-3.6 3,-1.9 -5,-0.3 -2,-0.2 0.740 95.2 87.6 -72.8 -19.7 -64.6 -14.8 -108.9 53 62 A A T 3< + 0 0 8 -4,-1.5 -1,-0.3 -5,-0.3 -46,-0.2 0.733 54.8 98.1 -50.3 -27.9 -63.5 -11.7 -110.8 54 63 A I T < S- 0 0 102 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.1 0.754 115.8 -52.6 -31.1 -34.7 -62.8 -14.1 -113.8 55 64 A A < - 0 0 9 -3,-1.9 2,-1.3 -53,-0.1 -1,-0.2 -0.138 44.0-133.5 150.5 114.8 -66.2 -12.8 -114.8 56 65 A P S S+ 0 0 5 0, 0.0 2,-0.2 0, 0.0 4,-0.1 -0.723 95.8 45.1 -80.7 41.5 -69.5 -12.8 -112.8 57 66 A K S S+ 0 0 111 -2,-1.3 5,-0.2 2,-0.6 -2,-0.1 -0.713 111.2 28.0-146.2-124.1 -71.5 -14.2 -115.8 58 67 A T S S+ 0 0 126 -2,-0.2 2,-0.5 2,-0.1 -3,-0.1 0.785 109.0 79.1 -34.5 -49.8 -70.4 -17.1 -118.0 59 68 A P - 0 0 35 0, 0.0 -2,-0.6 0, 0.0 3,-0.2 -0.568 66.2-164.2 -71.0 116.4 -68.4 -18.5 -115.1 60 69 A L + 0 0 123 -2,-0.5 2,-0.7 1,-0.2 3,-0.5 0.473 63.1 109.9 -74.1 -8.6 -70.9 -20.3 -112.6 61 70 A R > + 0 0 139 1,-0.3 3,-2.2 2,-0.1 -1,-0.2 0.256 32.7 138.2 -55.9 16.2 -68.2 -20.2 -109.9 62 71 A Y T > + 0 0 92 -2,-0.7 3,-3.7 1,-0.3 -1,-0.3 0.661 37.9 101.9 -38.9 -18.6 -70.6 -17.6 -108.3 63 72 A V T >> + 0 0 82 -3,-0.5 4,-1.6 1,-0.3 3,-1.2 0.758 55.1 91.1 -41.7 -24.6 -69.6 -19.4 -105.1 64 73 A A H <> S+ 0 0 7 -3,-2.2 4,-2.1 1,-0.3 -1,-0.3 0.755 76.8 61.9 -42.4 -29.8 -67.5 -16.3 -104.9 65 74 A M H <> S+ 0 0 79 -3,-3.7 4,-3.5 2,-0.2 -1,-0.3 0.923 103.2 44.8 -65.4 -50.9 -70.4 -14.8 -103.0 66 75 A V H <> S+ 0 0 100 -3,-1.2 4,-4.2 2,-0.2 -2,-0.2 0.938 115.9 45.9 -60.9 -49.3 -70.4 -17.4 -100.1 67 76 A I H X S+ 0 0 71 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.903 116.4 47.2 -62.2 -36.0 -66.6 -17.2 -99.7 68 77 A W H X S+ 0 0 16 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.899 114.5 47.5 -66.8 -43.6 -66.9 -13.3 -99.9 69 78 A L H X S+ 0 0 53 -4,-3.5 4,-2.4 2,-0.2 -2,-0.2 0.953 113.5 48.2 -62.4 -50.9 -69.8 -13.5 -97.4 70 79 A Y H X S+ 0 0 129 -4,-4.2 4,-3.4 1,-0.2 5,-0.2 0.945 114.2 43.5 -54.8 -58.3 -67.7 -15.8 -95.1 71 80 A S H X S+ 0 0 5 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.832 112.4 53.2 -60.8 -33.1 -64.6 -13.7 -95.1 72 81 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.955 116.3 39.4 -66.8 -46.5 -66.5 -10.4 -94.7 73 82 A F H >X S+ 0 0 93 -4,-2.4 4,-2.0 2,-0.2 3,-0.7 0.970 112.3 54.7 -65.3 -52.9 -68.3 -11.8 -91.6 74 83 A R H 3X S+ 0 0 96 -4,-3.4 4,-1.8 1,-0.3 5,-0.2 0.862 107.6 53.9 -49.8 -36.9 -65.3 -13.6 -90.3 75 84 A G H 3X S+ 0 0 1 -4,-1.8 4,-3.0 -5,-0.2 -1,-0.3 0.913 105.4 51.9 -65.0 -43.0 -63.6 -10.2 -90.5 76 85 A V H X S+ 0 0 18 -4,-1.7 3,-1.9 -3,-0.4 4,-1.8 0.955 113.0 49.5 -69.9 -44.4 -62.8 -2.8 -81.1 84 93 A M H 3X S+ 0 0 53 -4,-3.2 4,-0.6 1,-0.3 -2,-0.2 0.887 98.0 67.7 -57.9 -45.3 -64.2 -4.1 -77.8 85 94 A L H 3< S+ 0 0 73 -4,-3.1 -1,-0.3 1,-0.2 5,-0.2 0.562 109.7 38.4 -56.3 -4.9 -60.6 -4.6 -76.4 86 95 A Q H <4 S+ 0 0 51 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.2 0.796 118.8 41.2-108.7 -54.1 -60.3 -0.8 -76.5 87 96 A L H < S+ 0 0 126 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.263 140.8 18.9 -75.3 10.2 -63.7 0.5 -75.4 88 97 A Y S < S- 0 0 95 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.362 85.2-170.8-176.0 85.4 -63.4 -2.4 -72.9 89 98 A P - 0 0 50 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.449 23.9-110.9 -88.9 163.7 -59.8 -3.7 -72.4 90 99 A S - 0 0 44 -5,-0.2 -2,-0.0 2,-0.1 157,-0.0 -0.625 18.0-114.2 -97.0 160.8 -59.1 -6.9 -70.5 91 100 A P S S+ 0 0 28 0, 0.0 2,-1.7 0, 0.0 159,-1.2 0.604 97.4 88.8 -60.6 -19.3 -57.4 -7.5 -67.1 92 101 A F + 0 0 65 1,-0.2 -2,-0.1 157,-0.2 157,-0.1 -0.439 45.3 166.3 -83.2 64.6 -54.5 -9.3 -68.8 93 102 A A + 0 0 57 -2,-1.7 -1,-0.2 155,-0.2 25,-0.1 0.817 60.4 88.9 -46.4 -27.2 -52.3 -6.3 -69.5 94 103 A T S S- 0 0 67 -3,-0.2 2,-0.3 1,-0.1 4,-0.1 -0.194 86.5-117.4 -65.3 165.1 -49.9 -9.1 -70.2 95 104 A a - 0 0 47 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.723 36.8 -75.0-111.0 159.4 -49.8 -10.4 -73.8 96 105 A D S S+ 0 0 101 -2,-0.3 -1,-0.2 1,-0.2 0, 0.0 0.057 110.4 46.0 -51.4 155.5 -50.7 -13.9 -75.2 97 106 A F S S+ 0 0 195 1,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.897 90.2 92.3 72.0 49.6 -48.2 -16.7 -74.8 98 107 A M 0 0 125 -4,-0.1 -2,-0.1 0, 0.0 -4,-0.0 0.243 360.0 360.0-153.4 16.4 -47.6 -16.0 -71.0 99 108 A V 0 0 118 330,-0.0 330,-0.1 329,-0.0 -3,-0.0 0.567 360.0 360.0-114.2 360.0 -50.2 -18.1 -69.0 100 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 114 A L 0 0 214 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 68.6 -48.8 -19.9 -91.2 102 115 A P + 0 0 91 0, 0.0 10,-0.0 0, 0.0 0, 0.0 0.276 360.0 82.9 -75.6-150.1 -46.3 -17.1 -92.1 103 116 A L + 0 0 148 1,-0.1 2,-0.2 5,-0.1 3,-0.0 0.506 46.8 178.6 58.5 144.3 -43.2 -17.2 -94.2 104 117 A D - 0 0 59 1,-0.0 -1,-0.1 2,-0.0 0, 0.0 -0.807 41.9-110.4 179.6 131.5 -43.4 -17.0 -98.0 105 118 A K S S+ 0 0 207 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 0.699 113.4 44.8 -35.1 -37.6 -41.0 -17.0 -101.1 106 119 A W S S- 0 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129 A D - 0 0 75 -3,-0.2 2,-0.1 3,-0.0 3,-0.1 -0.963 44.5 -91.2-165.0-177.5 -45.2 -4.5 -78.5 117 130 A a S S- 0 0 33 -2,-0.3 2,-0.4 1,-0.2 3,-0.2 -0.300 70.6 -52.1 -94.9-171.6 -48.6 -4.7 -76.8 118 131 A A S S+ 0 0 69 1,-0.1 -1,-0.2 -2,-0.1 2,-0.0 -0.446 90.0 132.2 -62.3 110.9 -51.4 -2.2 -76.4 119 132 A E - 0 0 116 -2,-0.4 63,-0.2 -3,-0.1 -1,-0.1 0.206 69.7 -11.8-131.0-104.7 -49.2 0.4 -74.9 120 133 A R S S+ 0 0 172 -3,-0.2 -2,-0.1 62,-0.1 63,-0.1 0.954 76.8 148.5 -73.3 -49.1 -48.9 4.1 -75.8 121 134 A Q + 0 0 57 1,-0.1 62,-0.1 2,-0.1 3,-0.1 0.654 6.0 155.4 12.0 100.1 -50.9 3.9 -79.0 122 135 A W - 0 0 158 1,-0.1 2,-1.9 60,-0.0 -1,-0.1 0.504 16.4-178.7-121.9 -12.1 -52.6 7.3 -79.1 123 136 A D - 0 0 54 1,-0.2 -1,-0.1 -96,-0.1 3,-0.1 -0.262 3.4-174.6 51.7 -86.0 -53.2 7.6 -82.8 124 137 A F + 0 0 172 -2,-1.9 2,-0.8 1,-0.2 -1,-0.2 0.288 31.2 142.8 76.3 -1.7 -54.7 11.1 -82.6 125 138 A L S S- 0 0 72 1,-0.1 2,-1.3 -98,-0.1 -1,-0.2 -0.514 78.8 -76.6 -74.6 103.8 -55.5 10.8 -86.4 126 139 A G S S- 0 0 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