==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN, OXIDOREDUCTASE 15-JUN-11 2LEG . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.TANG,L.J.SPERLING,D.A.BERTHOLD,C.D.SCHWIETERS,A.E.NESBITT, . 322 3 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 4.3 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 1 2 0 0 1 1 0 0 0 2 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 133 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 18.1 31.1 66.7 9.1 2 2 A Q + 0 0 206 1,-0.1 2,-0.5 0, 0.0 0, 0.0 0.349 360.0 92.6 64.5 -7.3 28.2 64.5 7.9 3 3 A Y + 0 0 88 5,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.973 50.7 142.6-122.5 122.1 29.6 61.6 10.0 4 4 A E > - 0 0 141 -2,-0.5 3,-0.7 -3,-0.1 5,-0.2 -0.952 50.4 -72.8-150.5 169.4 28.3 61.1 13.6 5 5 A D T 3 S+ 0 0 83 -2,-0.3 5,-0.1 1,-0.2 2,-0.1 -0.276 101.1 47.2 -63.1 148.1 27.4 58.5 16.2 6 6 A G T 3 S+ 0 0 42 3,-1.2 -1,-0.2 -2,-0.0 5,-0.0 -0.361 108.1 49.2 117.6 -54.2 24.1 56.6 15.9 7 7 A K S < S+ 0 0 135 -3,-0.7 -2,-0.1 158,-0.1 3,-0.1 -0.008 119.4 36.3-109.8 29.6 24.1 55.5 12.2 8 8 A Q S S+ 0 0 37 1,-0.4 154,-2.3 152,-0.1 2,-0.3 0.446 124.6 8.6-138.9 -54.5 27.6 54.0 12.3 9 9 A Y B -A 161 0A 31 152,-0.3 -3,-1.2 -5,-0.2 2,-0.4 -0.988 68.8-119.4-138.9 147.1 28.2 52.4 15.7 10 10 A T - 0 0 76 150,-1.8 2,-0.8 -2,-0.3 150,-0.2 -0.694 29.5-131.7 -85.4 130.3 26.0 51.7 18.7 11 11 A T - 0 0 70 -2,-0.4 147,-0.0 148,-0.1 -1,-0.0 -0.752 21.5-155.7 -90.4 110.6 27.1 53.5 21.9 12 12 A L - 0 0 39 -2,-0.8 147,-0.1 1,-0.1 133,-0.0 0.138 17.1-127.4 -65.3-170.6 27.3 51.1 24.8 13 13 A E S S+ 0 0 145 1,-0.3 -1,-0.1 0, 0.0 132,-0.0 0.529 86.6 13.0-118.9 -16.0 27.0 52.3 28.4 14 14 A K S S- 0 0 116 143,-0.1 -1,-0.3 130,-0.0 143,-0.0 -0.818 70.6-135.6-164.4 121.0 30.1 50.8 30.0 15 15 A P - 0 0 88 0, 0.0 2,-0.7 0, 0.0 143,-0.1 -0.259 24.5-115.3 -75.0 164.7 33.3 49.1 28.4 16 16 A V > - 0 0 35 4,-0.1 3,-1.5 129,-0.0 141,-0.2 -0.887 25.7-137.9-107.2 111.2 34.9 45.8 29.6 17 17 A A T 3 S+ 0 0 102 -2,-0.7 0, 0.0 1,-0.2 0, 0.0 -0.375 85.9 13.0 -66.4 143.0 38.4 46.2 31.0 18 18 A G T 3 S+ 0 0 91 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.406 94.0 137.0 74.0 -2.2 40.8 43.5 30.0 19 19 A A < - 0 0 37 -3,-1.5 -1,-0.2 1,-0.1 138,-0.1 -0.399 64.5 -80.1 -75.4 154.2 38.5 42.2 27.3 20 20 A P - 0 0 30 0, 0.0 137,-0.4 0, 0.0 3,-0.2 0.025 37.0-117.9 -48.7 158.3 39.9 41.3 23.8 21 21 A Q S S+ 0 0 57 1,-0.3 135,-1.8 34,-0.2 2,-0.5 0.973 100.3 13.2 -67.6 -54.1 40.6 44.0 21.2 22 22 A V E S+bC 56 155B 8 33,-0.9 35,-2.9 133,-0.3 2,-0.4 -0.955 78.7 178.0-128.4 111.9 38.1 42.9 18.5 23 23 A L E -bC 57 154B 12 131,-2.0 131,-2.9 -2,-0.5 2,-0.5 -0.964 12.2-163.4-123.6 132.0 35.5 40.2 19.6 24 24 A E E -bC 58 153B 3 33,-1.4 35,-4.0 -2,-0.4 2,-0.7 -0.938 5.8-156.9-112.9 126.5 32.6 38.6 17.6 25 25 A F E +bC 59 152B 0 127,-1.7 127,-0.6 -2,-0.5 2,-0.3 -0.881 31.2 151.9-102.7 113.7 29.7 36.8 19.2 26 26 A F E -b 60 0B 8 33,-2.5 35,-0.8 -2,-0.7 2,-0.2 -0.899 36.0-127.3-134.9 167.3 28.1 34.4 16.8 27 27 A S - 0 0 4 -2,-0.3 3,-0.1 33,-0.2 35,-0.1 -0.686 12.8-136.6-109.6 165.1 26.2 31.2 16.9 28 28 A F S S+ 0 0 4 1,-0.3 2,-0.3 -2,-0.2 68,-0.1 0.550 91.1 13.7 -95.3 -10.6 26.9 28.0 15.0 29 29 A F S S+ 0 0 44 67,-0.1 -1,-0.3 68,-0.0 3,-0.1 -0.841 105.7 43.8-170.2 132.4 23.2 27.6 14.2 30 30 A a S S+ 0 0 70 1,-0.5 2,-0.1 -2,-0.3 34,-0.0 -0.310 82.4 92.3 133.7 -48.3 20.0 29.6 14.3 31 31 A P S > S- 0 0 13 0, 0.0 3,-1.3 0, 0.0 -1,-0.5 -0.416 72.6-131.7 -80.4 156.3 20.9 33.0 12.9 32 32 A H T > S+ 0 0 36 1,-0.3 3,-2.5 243,-0.2 4,-0.5 0.675 94.8 95.2 -74.5 -14.4 20.6 34.1 9.3 33 33 A A T 3>> + 0 0 6 1,-0.3 4,-1.6 245,-0.3 5,-0.5 0.676 51.7 96.9 -48.6 -17.9 24.1 35.3 10.0 34 34 A Y H <>5S+ 0 0 77 -3,-1.3 4,-2.1 1,-0.3 -1,-0.3 0.890 89.3 43.2 -42.9 -39.4 25.1 32.0 8.5 35 35 A Q H <>>S+ 0 0 27 -3,-2.5 4,-3.1 3,-0.2 5,-2.1 0.875 103.1 69.4 -72.0 -38.9 25.5 34.1 5.3 36 36 A F H 45S+ 0 0 9 -4,-0.5 6,-1.6 1,-0.2 -2,-0.2 0.939 119.7 15.6 -44.5 -61.3 27.3 36.8 7.3 37 37 A E H <5S+ 0 0 9 -4,-1.6 -1,-0.2 4,-0.2 -2,-0.2 0.788 133.7 46.5 -86.5 -30.7 30.4 34.7 8.0 38 38 A E H < + 0 0 73 -6,-0.6 4,-4.5 1,-0.1 5,-0.3 0.862 28.8 169.3 32.8 52.5 33.0 36.2 5.2 42 42 A I H > + 0 0 0 -6,-1.6 4,-3.6 1,-0.2 5,-0.4 0.927 70.0 54.9 -62.8 -44.0 32.9 39.5 7.0 43 43 A S H > S+ 0 0 6 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.872 119.8 36.1 -56.5 -33.2 35.1 38.4 9.9 44 44 A D H > S+ 0 0 38 2,-0.2 4,-1.2 -7,-0.1 -2,-0.2 0.919 118.8 46.3 -84.3 -49.6 37.6 37.4 7.2 45 45 A N H < S+ 0 0 60 -4,-4.5 3,-0.3 -5,-0.3 -3,-0.2 0.903 117.2 47.4 -59.2 -39.2 37.0 40.2 4.7 46 46 A V H >< S+ 0 0 11 -4,-3.6 3,-2.1 -5,-0.3 -1,-0.2 0.854 102.0 61.4 -70.6 -37.8 37.2 42.6 7.6 47 47 A K H >< S+ 0 0 96 -4,-1.0 3,-2.1 -5,-0.4 -1,-0.2 0.805 89.3 73.9 -59.8 -27.6 40.4 41.1 9.2 48 48 A K T 3< S+ 0 0 141 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.689 89.9 58.1 -60.6 -16.5 42.1 42.1 5.9 49 49 A K T < S+ 0 0 113 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.217 74.0 164.0 -97.6 14.9 42.0 45.7 7.1 50 50 A L < - 0 0 98 -3,-2.1 2,-0.4 1,-0.1 -3,-0.1 -0.027 31.1-141.9 -34.9 106.1 44.0 45.0 10.3 51 51 A P S > S- 0 0 17 0, 0.0 3,-1.6 0, 0.0 2,-1.2 -0.651 70.7 -22.7 -83.1 131.6 45.1 48.5 11.4 52 52 A E T 3 S- 0 0 173 -2,-0.4 -2,-0.1 1,-0.3 0, 0.0 0.216 124.9 -60.7 57.3 -19.9 48.6 48.8 12.9 53 53 A G T 3 S+ 0 0 52 -2,-1.2 -1,-0.3 1,-0.1 2,-0.2 0.670 75.7 174.8 117.6 35.1 48.3 45.0 13.7 54 54 A V < - 0 0 22 -3,-1.6 2,-0.3 1,-0.1 -1,-0.1 -0.525 28.1-128.5 -72.3 132.7 45.3 44.8 16.0 55 55 A K - 0 0 138 -2,-0.2 -33,-0.9 -5,-0.1 -34,-0.2 -0.660 18.6-142.9 -87.5 138.7 44.4 41.2 16.8 56 56 A M E -b 22 0B 62 -2,-0.3 2,-0.3 -35,-0.1 -33,-0.2 -0.559 11.2-158.2 -96.7 161.8 40.8 39.9 16.3 57 57 A T E -b 23 0B 21 -35,-2.9 -33,-1.4 -2,-0.2 2,-0.4 -0.981 4.7-152.5-140.8 150.7 38.8 37.4 18.4 58 58 A K E -b 24 0B 3 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.990 13.7-177.1-128.6 132.2 35.8 35.2 17.9 59 59 A Y E -b 25 0B 15 -35,-4.0 -33,-2.5 -2,-0.4 2,-0.2 -0.943 14.9-142.6-129.5 150.9 33.3 34.0 20.5 60 60 A H E -b 26 0B 0 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.600 20.5-126.2-103.8 165.0 30.3 31.7 20.5 61 61 A V - 0 0 9 -35,-0.8 -33,-0.2 -2,-0.2 12,-0.1 -0.795 4.3-137.6-119.8 158.9 27.1 32.1 22.5 62 62 A N + 0 0 63 -2,-0.3 8,-0.3 10,-0.1 7,-0.2 0.662 67.0 102.5 -85.7 -23.6 25.1 29.9 24.9 63 63 A F + 0 0 49 6,-0.2 -2,-0.1 7,-0.1 86,-0.1 0.073 62.2 40.2 -57.9 176.9 21.5 30.5 23.8 64 64 A M S >S+ 0 0 36 5,-0.1 5,-0.5 1,-0.1 6,-0.1 0.677 107.4 32.8 52.8 140.3 19.4 28.0 21.7 65 65 A G T >>5S- 0 0 38 3,-0.2 3,-2.0 4,-0.1 4,-1.9 0.873 87.7-138.0 53.8 44.1 19.6 24.2 22.1 66 66 A G H 3>5S+ 0 0 59 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.355 96.0 20.2 11.2 -86.7 20.1 24.7 25.9 67 67 A D H 3>5S+ 0 0 110 2,-0.2 4,-3.6 1,-0.2 -1,-0.3 0.882 127.1 54.7 -67.5 -40.3 22.7 22.0 26.3 68 68 A L H <>5S+ 0 0 21 -3,-2.0 4,-3.2 2,-0.2 5,-0.3 0.919 106.9 50.8 -61.0 -44.3 23.6 22.0 22.6 69 69 A G H XS+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 5,-0.5 0.944 110.6 44.2 -63.1 -49.7 38.9 25.1 18.8 80 80 A M H <5S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.857 111.4 57.0 -63.1 -33.9 40.5 28.2 20.3 81 81 A A H <5S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.831 109.8 42.6 -65.6 -35.6 42.2 26.0 22.8 82 82 A L H <5S- 0 0 39 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.684 104.6-130.8 -83.3 -20.9 43.9 23.9 20.0 83 83 A G T <5S+ 0 0 53 -4,-1.5 2,-1.1 -5,-0.2 3,-0.4 0.272 82.3 111.3 86.3 -10.8 44.7 27.0 18.1 84 84 A V >< + 0 0 30 -5,-0.5 4,-1.2 -6,-0.2 5,-0.2 -0.335 34.2 126.6 -89.0 50.0 43.2 25.3 15.1 85 85 A E H > + 0 0 43 -2,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.941 65.5 49.7 -74.5 -50.8 40.2 27.7 15.0 86 86 A D H > S+ 0 0 91 -3,-0.4 4,-0.9 1,-0.2 -1,-0.1 0.900 110.5 50.1 -56.7 -47.1 40.3 28.8 11.4 87 87 A K H 4 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.949 119.2 33.7 -60.6 -53.5 40.5 25.4 9.9 88 88 A V H X>S+ 0 0 2 -4,-1.2 4,-3.1 1,-0.1 5,-0.5 0.734 101.7 83.4 -75.9 -23.4 37.6 23.8 11.8 89 89 A T H X5S+ 0 0 6 -4,-2.3 4,-4.0 2,-0.2 5,-0.2 0.933 99.4 30.9 -41.2 -77.6 35.6 27.0 11.8 90 90 A V H X>S+ 0 0 65 -4,-0.9 4,-4.8 2,-0.2 5,-0.7 0.942 119.2 52.4 -53.1 -57.5 34.1 26.7 8.4 91 91 A P H >5S+ 0 0 49 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.896 120.5 36.4 -47.5 -43.1 33.9 22.9 8.2 92 92 A L H X5S+ 0 0 8 -4,-3.1 4,-0.9 2,-0.2 -2,-0.2 0.865 119.4 49.4 -78.7 -35.6 32.1 22.9 11.6 93 93 A F H >X - 0 0 64 -2,-0.1 4,-3.3 1,-0.1 -1,-0.4 -0.309 61.6 -99.0 -92.4 178.4 25.8 14.4 21.0 105 105 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 123.7 52.0 -61.9 -49.0 29.2 15.3 22.3 106 106 A S H > S+ 0 0 87 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.787 115.6 44.0 -60.8 -26.1 30.8 12.2 20.8 107 107 A D H > S+ 0 0 23 2,-0.2 4,-1.8 1,-0.1 3,-0.4 0.952 110.7 50.2 -80.2 -55.8 29.2 13.1 17.5 108 108 A I H X S+ 0 0 7 -4,-3.3 4,-0.9 1,-0.3 -2,-0.2 0.841 114.1 50.3 -50.4 -32.7 30.0 16.8 17.6 109 109 A R H X S+ 0 0 60 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.3 0.873 100.5 62.6 -70.5 -44.3 33.5 15.6 18.3 110 110 A D H X S+ 0 0 57 -4,-1.1 4,-2.0 -3,-0.4 -2,-0.2 0.911 104.8 45.8 -53.2 -46.0 33.6 13.2 15.4 111 111 A V H X S+ 0 0 20 -4,-1.8 4,-1.2 1,-0.2 -1,-0.3 0.840 106.0 61.5 -66.8 -30.5 33.2 15.9 12.9 112 112 A F H ><>S+ 0 0 3 -4,-0.9 3,-0.7 -5,-0.3 5,-0.5 0.933 106.0 46.1 -60.6 -42.8 35.9 17.9 14.8 113 113 A I H >X5S+ 0 0 71 -4,-2.1 3,-1.5 1,-0.3 4,-1.2 0.910 107.5 58.2 -62.2 -43.9 38.3 15.0 14.0 114 114 A N H 3<5S+ 0 0 116 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.729 84.9 79.8 -59.3 -25.2 37.2 15.0 10.4 115 115 A A T <<5S- 0 0 17 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.447 124.3 -93.9 -67.4 6.7 38.2 18.6 10.1 116 116 A G T <45S+ 0 0 57 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.740 88.2 125.1 88.4 28.2 41.8 17.2 9.7 117 117 A I << - 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