==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-JAN-98 1A24 . COMPND 2 MOLECULE: DSBA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.J.SCHIRRA,C.RENNER,M.CZISCH,M.HUBER-WUNDERLICH,T.A.HOLAK, . 189 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 5.3 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 12 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.2 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 1 1 0 1 1 0 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 95 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.6 124.3 13.4 -0.8 2 2 A Q - 0 0 149 3,-0.0 3,-0.2 0, 0.0 5,-0.0 -0.422 360.0 -69.1-139.2 64.1 127.4 15.5 -1.3 3 3 A Y - 0 0 32 1,-0.2 2,-0.8 2,-0.0 7,-0.0 0.952 54.1-165.3 50.5 84.3 130.1 14.3 1.1 4 4 A E - 0 0 134 1,-0.1 -1,-0.2 0, 0.0 6,-0.0 -0.351 52.1 -86.9 -97.8 56.9 128.6 15.5 4.4 5 5 A D S S+ 0 0 101 -2,-0.8 5,-0.3 1,-0.2 6,-0.1 0.928 123.1 24.4 41.0 80.8 131.8 15.2 6.5 6 6 A G S S+ 0 0 34 3,-2.9 4,-0.3 4,-0.1 -1,-0.2 0.074 107.0 77.0 125.9 -25.6 131.4 11.5 7.5 7 7 A K S S+ 0 0 108 2,-0.4 3,-0.1 1,-0.1 155,-0.1 0.969 119.2 3.7 -80.0 -69.5 129.2 10.2 4.7 8 8 A Q S S+ 0 0 15 1,-0.3 154,-0.5 153,-0.1 2,-0.2 0.439 147.2 3.5 -95.6 2.0 131.6 9.8 1.8 9 9 A Y - 0 0 13 152,-0.2 -3,-2.9 153,-0.1 -2,-0.4 -0.736 66.0-156.4 177.2 129.8 134.6 10.8 3.9 10 10 A T E -A 160 0A 49 150,-2.0 150,-2.4 -4,-0.3 2,-0.4 -0.505 19.6-119.3-106.9 179.6 135.2 11.7 7.6 11 11 A T E -A 159 0A 57 148,-0.2 2,-0.2 -2,-0.2 148,-0.2 -0.961 17.8-145.2-123.7 138.6 137.9 13.8 9.3 12 12 A L - 0 0 38 146,-0.8 133,-0.0 -2,-0.4 0, 0.0 -0.656 14.2-136.3 -99.2 158.2 140.4 12.6 11.9 13 13 A E S S+ 0 0 175 -2,-0.2 -1,-0.1 1,-0.2 145,-0.0 0.454 94.6 69.5 -91.5 1.3 141.7 14.7 14.8 14 14 A K + 0 0 122 131,-0.1 -1,-0.2 144,-0.1 2,-0.1 -0.666 68.8 172.8-120.7 78.1 145.3 13.4 14.3 15 15 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 143,-0.2 -0.295 27.4-135.4 -78.2 164.6 146.4 15.0 11.0 16 16 A V > - 0 0 40 141,-1.1 3,-4.4 140,-0.3 129,-0.1 -0.792 17.1-134.1-127.5 92.7 150.0 14.7 9.7 17 17 A A T 3 S+ 0 0 108 -2,-0.5 140,-0.1 1,-0.3 139,-0.0 -0.135 99.5 22.5 -42.8 126.0 151.4 18.0 8.4 18 18 A G T 3 S+ 0 0 73 138,-0.2 -1,-0.3 1,-0.2 139,-0.1 0.199 91.9 153.1 96.1 -18.2 153.0 17.1 5.1 19 19 A A < - 0 0 9 -3,-4.4 2,-0.3 137,-0.4 -1,-0.2 0.076 55.7 -86.7 -39.4 160.8 150.8 14.0 4.8 20 20 A P > - 0 0 27 0, 0.0 136,-1.6 0, 0.0 3,-0.8 -0.546 28.7-121.8 -77.7 135.8 150.2 12.7 1.3 21 21 A Q T 3 S+ 0 0 22 134,-0.3 35,-0.2 1,-0.3 2,-0.1 0.762 111.5 20.0 -49.4 -21.0 147.2 14.2 -0.6 22 22 A V E 3 S-b 56 0A 0 33,-1.7 35,-1.2 133,-0.2 2,-0.4 -0.538 77.3-171.8-151.4 80.4 146.0 10.6 -0.8 23 23 A L E < -bC 57 154A 4 131,-5.1 131,-2.4 -3,-0.8 2,-0.6 -0.588 13.5-154.1 -74.7 127.0 147.5 8.2 1.7 24 24 A E E -bC 58 153A 3 33,-1.6 35,-3.7 -2,-0.4 2,-0.7 -0.895 9.4-169.1-108.5 121.0 146.5 4.6 0.8 25 25 A F E +bC 59 152A 0 127,-4.1 127,-2.7 -2,-0.6 2,-0.3 -0.882 29.6 135.5-108.3 107.5 146.4 2.1 3.6 26 26 A F - 0 0 4 33,-2.4 2,-0.2 -2,-0.7 35,-0.1 -0.985 28.0-168.5-153.1 141.2 146.0 -1.5 2.3 27 27 A S > - 0 0 2 -2,-0.3 3,-0.7 33,-0.2 2,-0.4 -0.613 40.8-100.0-118.5-178.2 147.6 -4.9 3.0 28 28 A F T 3 S+ 0 0 3 1,-0.2 32,-0.0 -2,-0.2 68,-0.0 -0.230 110.0 66.9 -97.0 46.2 147.4 -8.3 1.2 29 29 A F T 3 S+ 0 0 51 -2,-0.4 -1,-0.2 68,-0.1 3,-0.0 0.222 74.9 99.3-146.4 13.3 144.8 -9.7 3.6 30 30 A C S <> S- 0 0 5 -3,-0.7 4,-1.0 1,-0.1 5,-0.1 -0.714 70.0-130.3-105.4 161.2 141.7 -7.6 3.0 31 31 A P H > S+ 0 0 86 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.836 116.4 42.3 -75.0 -32.9 138.6 -8.5 0.9 32 32 A H H > S+ 0 0 59 2,-0.2 4,-3.7 1,-0.2 5,-0.4 0.725 98.2 78.6 -84.5 -20.4 138.8 -5.2 -0.8 33 33 A C H > S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.965 105.2 31.8 -49.7 -55.2 142.6 -5.6 -1.0 34 34 A Y H <>S+ 0 0 62 -4,-1.0 5,-0.8 1,-0.2 -1,-0.2 0.837 125.5 45.2 -73.3 -33.5 142.1 -8.0 -4.0 35 35 A Q H <>S+ 0 0 84 -4,-1.0 5,-1.4 3,-0.2 3,-0.4 0.673 109.1 56.8 -85.6 -16.0 139.0 -6.2 -5.3 36 36 A F H <5S+ 0 0 13 -4,-3.7 7,-0.6 1,-0.2 6,-0.4 0.796 118.0 28.2 -86.3 -28.2 140.4 -2.7 -4.9 37 37 A E T <5S+ 0 0 17 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.1 -0.247 130.6 25.2-127.1 50.5 143.5 -3.2 -7.1 38 38 A E T 5S+ 0 0 70 -3,-0.4 -3,-0.2 0, 0.0 -2,-0.1 0.150 124.4 24.7-168.3 -59.5 142.6 -5.8 -9.6 39 39 A V T + 0 0 109 1,-0.2 4,-2.2 -6,-0.1 5,-0.3 0.813 52.7 139.0 39.4 29.8 140.3 -1.3 -11.5 42 42 A I H > + 0 0 1 -6,-0.4 4,-1.1 -7,-0.3 -1,-0.2 0.757 63.6 56.0 -74.6 -21.4 140.0 1.6 -9.0 43 43 A S H > S+ 0 0 6 -7,-0.6 4,-0.7 2,-0.2 -1,-0.2 0.924 116.8 32.4 -77.0 -43.4 143.8 1.8 -8.7 44 44 A D H > S+ 0 0 88 2,-0.2 4,-2.5 1,-0.1 3,-0.5 0.942 117.6 53.6 -78.8 -48.3 144.4 2.3 -12.4 45 45 A N H X S+ 0 0 71 -4,-2.2 4,-0.9 1,-0.3 -3,-0.2 0.925 111.9 46.6 -53.0 -43.6 141.2 4.3 -13.2 46 46 A V H < S+ 0 0 12 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.811 112.4 51.7 -69.9 -25.8 142.1 6.7 -10.4 47 47 A K H >< S+ 0 0 100 -4,-0.7 3,-1.5 -3,-0.5 -2,-0.2 0.802 97.9 64.8 -80.8 -27.6 145.6 6.9 -11.8 48 48 A K H 3< S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.843 111.7 36.5 -64.5 -29.5 144.5 7.7 -15.3 49 49 A K T 3< S+ 0 0 107 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.074 83.0 142.1-109.3 24.8 143.0 11.0 -14.1 50 50 A L < - 0 0 55 -3,-1.5 2,-0.1 -5,-0.1 -3,-0.1 -0.560 41.3-148.8 -70.9 113.7 145.8 11.7 -11.5 51 51 A P > - 0 0 54 0, 0.0 3,-0.9 0, 0.0 -2,-0.1 -0.461 22.4-116.5 -78.7 151.4 146.4 15.4 -11.6 52 52 A E T 3 S+ 0 0 202 1,-0.3 3,-0.1 -2,-0.1 -2,-0.1 0.268 109.3 70.5 -75.5 21.1 150.0 16.7 -10.9 53 53 A G T 3 S+ 0 0 38 1,-0.1 2,-0.3 -32,-0.0 -1,-0.3 -0.023 89.2 66.4-122.8 30.0 148.6 18.5 -7.8 54 54 A V < - 0 0 12 -3,-0.9 2,-0.8 2,-0.0 -1,-0.1 -0.891 67.1-148.0-153.1 118.4 147.9 15.4 -5.7 55 55 A K - 0 0 143 -2,-0.3 -33,-1.7 -3,-0.1 2,-1.0 -0.759 13.3-162.4 -91.3 109.4 150.4 12.9 -4.3 56 56 A M E -b 22 0A 30 -2,-0.8 2,-0.3 -35,-0.2 -33,-0.2 -0.755 12.7-174.9 -92.6 100.8 148.9 9.4 -4.2 57 57 A T E -b 23 0A 43 -35,-1.2 -33,-1.6 -2,-1.0 2,-0.5 -0.700 11.8-153.6 -96.7 149.7 150.9 7.4 -1.8 58 58 A K E +b 24 0A 46 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.956 20.0 171.3-123.8 117.1 150.3 3.6 -1.2 59 59 A Y E -b 25 0A 32 -35,-3.7 -33,-2.4 -2,-0.5 2,-0.3 -0.808 28.6-119.6-123.8 166.3 151.3 2.0 2.1 60 60 A H - 0 0 0 -2,-0.3 82,-0.2 -35,-0.2 -33,-0.2 -0.743 26.0-128.6-102.3 149.5 150.9 -1.4 3.8 61 61 A V - 0 0 1 -2,-0.3 -33,-0.2 -35,-0.1 3,-0.1 -0.594 6.5-155.2 -95.3 159.8 149.0 -1.8 7.1 62 62 A N S S+ 0 0 51 -2,-0.2 8,-0.1 1,-0.1 3,-0.1 -0.283 71.4 79.8-128.1 49.4 150.4 -3.7 10.2 63 63 A F + 0 0 80 6,-0.1 -1,-0.1 1,-0.1 4,-0.1 -0.340 42.1 119.3-152.4 64.7 147.2 -4.7 12.0 64 64 A M S S- 0 0 69 2,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.012 84.1-107.9-119.0 30.8 145.6 -7.8 10.5 65 65 A G S S+ 0 0 93 1,-0.1 2,-0.2 2,-0.1 3,-0.1 0.913 93.8 109.9 45.1 42.7 145.8 -10.1 13.5 66 66 A G >> - 0 0 21 1,-0.1 3,-4.9 38,-0.0 4,-0.6 -0.674 61.1-155.8-149.0 85.4 148.5 -11.9 11.5 67 67 A D H >> S+ 0 0 125 1,-0.3 4,-1.1 -2,-0.2 3,-0.9 0.813 97.4 58.6 -31.6 -46.5 152.0 -11.5 13.0 68 68 A L H 3> S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.820 90.3 74.4 -61.5 -22.2 153.5 -12.2 9.5 69 69 A G H <> S+ 0 0 5 -3,-4.9 4,-2.4 2,-0.3 6,-0.3 0.956 90.8 54.5 -54.5 -47.0 151.4 -9.2 8.4 70 70 A K H X S+ 0 0 0 -4,-2.4 4,-1.7 -3,-0.5 3,-0.6 0.951 103.0 53.7 -62.7 -40.7 154.7 -4.5 5.7 74 74 A Q H 3X S+ 0 0 23 -4,-1.6 4,-3.3 1,-0.3 5,-0.4 0.803 100.8 64.5 -61.9 -20.9 158.3 -5.4 5.2 75 75 A A H 3X S+ 0 0 1 -4,-1.1 4,-1.8 -3,-0.4 5,-0.3 0.928 99.7 48.3 -68.0 -41.9 156.9 -6.9 2.0 76 76 A W H X>S+ 0 0 2 -4,-1.8 4,-1.8 -5,-0.4 3,-1.2 0.974 110.0 46.9 -79.3 -62.9 159.3 -5.1 -2.7 80 80 A M H 3<5S+ 0 0 109 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.839 111.2 59.3 -47.0 -27.4 159.2 -1.4 -3.5 81 81 A A H 3<5S+ 0 0 34 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.922 120.8 22.5 -69.4 -42.2 163.0 -1.7 -2.9 82 82 A L H <<5S- 0 0 50 -3,-1.2 -2,-0.2 -4,-1.2 -1,-0.2 0.251 101.3-124.3-107.9 12.8 163.4 -4.4 -5.7 83 83 A G T <5S+ 0 0 52 -4,-1.8 -3,-0.2 1,-0.2 4,-0.2 0.866 72.7 132.3 49.2 32.0 160.2 -3.4 -7.7 84 84 A V >X + 0 0 2 -5,-1.1 4,-3.4 -6,-0.2 5,-0.6 0.424 31.6 101.7 -93.8 2.0 159.3 -7.1 -7.2 85 85 A E H >>S+ 0 0 54 1,-0.3 4,-4.9 2,-0.2 5,-0.6 0.973 79.8 50.3 -48.9 -68.3 155.7 -6.3 -6.0 86 86 A D H >5S+ 0 0 130 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.828 117.8 44.3 -40.0 -34.9 154.1 -7.1 -9.4 87 87 A K H 45S+ 0 0 116 -3,-0.5 -2,-0.2 -4,-0.2 -1,-0.2 0.961 126.5 25.9 -79.8 -55.4 156.1 -10.4 -9.2 88 88 A V H X5S+ 0 0 2 -4,-3.4 4,-1.6 1,-0.2 5,-0.2 0.768 114.8 66.3 -82.1 -22.3 155.5 -11.4 -5.5 89 89 A T H XS+ 0 0 7 -6,-0.3 5,-1.3 -5,-0.3 6,-0.8 0.859 114.1 30.1 -75.7 -33.4 148.1 -16.5 -1.8 96 96 A V H <5S+ 0 0 24 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.528 122.7 51.3-100.8 -7.7 146.1 -14.7 0.8 97 97 A Q T <5S+ 0 0 36 -4,-1.0 -2,-0.2 -5,-0.2 -3,-0.1 0.321 126.1 16.2-110.1 8.7 142.9 -14.4 -1.3 98 98 A K T 5S+ 0 0 118 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 -0.143 129.7 24.0-176.2 68.0 142.7 -18.2 -2.3 99 99 A T T 5S- 0 0 90 -3,-0.2 -3,-0.2 3,-0.0 -4,-0.1 -0.061 73.2-137.7 163.1 -46.8 144.8 -20.6 -0.3 100 100 A Q < + 0 0 154 -5,-1.3 -4,-0.1 1,-0.1 -5,-0.1 0.697 65.3 127.0 71.7 17.5 145.5 -19.2 3.2 101 101 A T + 0 0 82 -6,-0.8 2,-1.2 1,-0.2 3,-0.1 0.549 50.0 87.5 -81.5 -5.0 149.0 -20.5 3.0 102 102 A I + 0 0 3 -7,-0.7 -1,-0.2 1,-0.2 3,-0.1 -0.680 49.4 109.6 -95.4 84.5 150.1 -16.9 3.8 103 103 A R + 0 0 178 -2,-1.2 2,-0.3 1,-0.2 -35,-0.2 0.046 64.4 60.9-144.3 28.3 150.1 -16.9 7.6 104 104 A S S >> S- 0 0 32 -3,-0.1 3,-2.0 1,-0.1 4,-1.9 -0.934 74.9-128.6-157.5 131.5 153.8 -16.8 8.5 105 105 A A H 3> S+ 0 0 33 -2,-0.3 4,-1.4 1,-0.3 5,-0.1 0.888 117.6 60.0 -49.0 -31.7 156.6 -14.2 7.8 106 106 A S H 3> S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.884 102.1 51.8 -64.5 -33.3 158.4 -17.3 6.6 107 107 A D H X> S+ 0 0 9 -3,-2.0 4,-2.0 2,-0.2 3,-0.5 0.973 103.3 55.2 -67.6 -50.1 155.6 -17.7 4.1 108 108 A I H 3X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.3 -1,-0.2 0.847 108.9 51.9 -51.3 -28.5 155.9 -14.1 2.9 109 109 A R H 3X S+ 0 0 111 -4,-1.4 4,-3.1 -5,-0.3 5,-0.3 0.879 101.2 59.3 -76.9 -36.5 159.5 -15.1 2.3 110 110 A D H <>S+ 0 0 1 -4,-1.6 3,-1.6 -5,-0.3 5,-1.2 0.957 109.1 45.2 -59.9 -48.3 159.5 -13.3 -2.2 113 113 A I H ><5S+ 0 0 50 -4,-3.1 3,-2.4 1,-0.3 -1,-0.2 0.814 99.0 72.8 -66.3 -25.4 162.1 -15.9 -3.1 114 114 A N H 3<5S+ 0 0 125 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.740 93.2 56.2 -61.8 -16.9 159.7 -17.2 -5.8 115 115 A A T <<5S- 0 0 28 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.228 129.6 -98.1 -97.9 15.5 160.6 -13.9 -7.7 116 116 A G T < 5S+ 0 0 47 -3,-2.4 2,-3.2 1,-0.2 -3,-0.2 0.476 82.7 139.5 83.6 -0.9 164.3 -14.8 -7.6 117 117 A I < - 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