==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-APR-06 2GOY . COMPND 2 MOLECULE: ADENOSINE PHOSPHOSULFATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.CHARTRON,K.S.CARROLL,C.SHIAU,H.GAO,J.A.LEARY,C.R.BERTOZZI, . 1780 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1139 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 2.8 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 . 8 0.4 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 . 1 0.1 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 . 104 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 254 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 519 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 2.7 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 9 3 0 12 3 5 16 8 8 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 7 25 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 PARALLEL BRIDGES PER LADDER . 9 0 8 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 0 8 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 28 A F 0 0 101 0, 0.0 2,-0.8 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-174.6 27.0 89.9 -1.0 2 29 A D > - 0 0 91 1,-0.2 4,-2.9 2,-0.1 5,-0.3 -0.816 360.0-175.9-107.7 95.2 30.5 91.0 0.3 3 30 A L H > S+ 0 0 36 -2,-0.8 4,-3.3 1,-0.2 5,-0.3 0.957 83.0 42.4 -53.1 -62.3 32.0 88.1 2.3 4 31 A P H > S+ 0 0 82 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.886 117.2 48.1 -54.1 -43.0 35.2 89.9 3.5 5 32 A A H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.960 116.6 42.2 -62.1 -52.0 33.3 93.1 4.3 6 33 A L H X S+ 0 0 21 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.868 108.2 58.3 -64.4 -41.0 30.6 91.3 6.2 7 34 A A H X S+ 0 0 28 -4,-3.3 4,-1.1 -5,-0.3 -1,-0.2 0.863 112.9 43.0 -58.1 -35.0 33.0 88.9 8.0 8 35 A S H < S+ 0 0 87 -4,-1.4 4,-0.4 -3,-0.3 -2,-0.2 0.961 112.6 48.2 -75.9 -56.9 34.7 92.0 9.4 9 36 A S H < S+ 0 0 59 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.914 116.2 45.3 -51.3 -46.7 31.6 94.1 10.4 10 37 A L H >< S+ 0 0 8 -4,-2.4 3,-3.2 1,-0.2 -1,-0.2 0.828 85.0 97.6 -67.1 -35.5 30.0 91.1 12.1 11 38 A A T 3< S+ 0 0 38 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.1 0.682 96.5 24.9 -21.1 -58.6 33.1 90.0 14.0 12 39 A D T 3 S+ 0 0 160 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.337 99.7 109.6-100.3 7.3 32.3 91.7 17.3 13 40 A K S < S- 0 0 100 -3,-3.2 -3,-0.0 -4,-0.2 5,-0.0 -0.277 75.7 -85.0 -80.4 168.2 28.5 91.9 17.0 14 41 A S > - 0 0 42 1,-0.1 4,-1.9 -2,-0.0 5,-0.2 -0.187 36.9-110.6 -67.4 161.7 25.9 89.9 19.0 15 42 A P H > S+ 0 0 24 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.905 121.1 51.0 -59.9 -40.5 24.8 86.4 18.0 16 43 A Q H > S+ 0 0 67 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.924 107.5 51.4 -62.3 -46.9 21.4 87.9 17.1 17 44 A D H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.849 110.1 51.1 -60.0 -33.4 22.9 90.6 15.0 18 45 A I H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.876 111.5 46.2 -71.7 -38.0 24.9 87.9 13.2 19 46 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.925 109.9 54.1 -69.3 -41.7 21.8 85.9 12.5 20 47 A K H X S+ 0 0 118 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.904 110.2 49.0 -55.3 -41.3 19.9 89.0 11.4 21 48 A A H X S+ 0 0 9 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.924 111.8 46.8 -63.8 -48.2 22.8 89.5 8.9 22 49 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 3,-0.4 0.933 114.5 46.5 -61.5 -49.1 22.7 86.0 7.7 23 50 A F H X S+ 0 0 19 -4,-3.2 4,-4.2 1,-0.2 3,-0.3 0.932 107.1 57.8 -59.5 -47.4 18.9 86.0 7.2 24 51 A E H < S+ 0 0 149 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.822 115.7 36.5 -52.6 -35.2 18.9 89.4 5.5 25 52 A H H < S+ 0 0 76 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.672 135.9 18.7 -94.8 -19.1 21.3 88.0 2.8 26 53 A F H < S+ 0 0 27 -4,-1.8 3,-0.4 -3,-0.3 -3,-0.2 0.492 79.2 178.7-128.3 -8.3 19.9 84.4 2.5 27 54 A G S >< S+ 0 0 28 -4,-4.2 2,-1.6 -5,-0.4 3,-1.4 -0.070 73.7 4.4 42.8-130.3 16.4 84.6 4.0 28 55 A D T 3 S+ 0 0 86 1,-0.3 -1,-0.2 25,-0.1 -5,-0.1 -0.240 125.4 67.1 -79.4 47.6 14.6 81.2 3.8 29 56 A E T 3 S+ 0 0 117 -2,-1.6 101,-0.9 -3,-0.4 2,-0.8 0.174 70.8 105.1-146.1 8.0 17.6 79.4 2.4 30 57 A L E < -a 130 0A 2 -3,-1.4 24,-0.5 99,-0.1 2,-0.4 -0.862 60.7-151.6 -98.1 108.0 19.8 79.7 5.4 31 58 A W E -a 131 0A 31 99,-2.3 101,-2.0 -2,-0.8 2,-0.6 -0.682 1.5-149.3 -89.1 131.8 20.0 76.3 7.1 32 59 A I E -ab 132 55A 0 22,-2.0 24,-2.1 -2,-0.4 2,-0.5 -0.866 11.9-141.8-100.2 122.6 20.6 76.1 10.9 33 60 A S E - b 0 56A 21 99,-2.9 2,-0.5 -2,-0.6 101,-0.2 -0.738 18.7-170.7 -85.6 124.6 22.5 72.9 12.0 34 61 A F + 0 0 1 22,-2.8 24,-0.4 -2,-0.5 6,-0.0 -0.974 15.8 179.7-121.0 124.2 21.1 71.5 15.3 35 62 A S - 0 0 59 -2,-0.5 -1,-0.1 22,-0.2 36,-0.1 0.405 52.4-106.1-103.3 1.4 23.0 68.7 17.1 36 63 A G S S+ 0 0 0 1,-0.2 153,-0.1 34,-0.1 2,-0.1 0.627 89.3 88.5 86.5 12.7 20.6 68.3 20.1 37 64 A A S > S- 0 0 5 151,-0.1 3,-1.5 162,-0.1 -1,-0.2 -0.172 103.1 -40.6-116.3-147.2 22.9 70.0 22.6 38 65 A E T > S+ 0 0 5 159,-0.4 3,-2.2 1,-0.3 4,-0.2 0.652 113.7 88.0 -57.0 -18.1 23.4 73.5 23.9 39 66 A D T >> + 0 0 12 1,-0.3 4,-1.6 2,-0.2 3,-0.9 0.539 58.2 95.6 -62.7 -1.3 23.1 74.8 20.3 40 67 A V H <> S+ 0 0 0 -3,-1.5 4,-3.4 1,-0.3 -1,-0.3 0.851 74.5 66.1 -56.3 -30.0 19.4 74.9 21.1 41 68 A V H <> S+ 0 0 0 -3,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.917 98.3 50.0 -57.0 -45.0 20.3 78.6 21.9 42 69 A L H <> S+ 0 0 0 -3,-0.9 4,-2.7 -4,-0.2 5,-0.2 0.908 112.1 48.2 -60.1 -42.5 21.1 79.1 18.2 43 70 A V H X S+ 0 0 1 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.953 112.0 48.2 -64.0 -49.7 17.8 77.5 17.3 44 71 A D H X S+ 0 0 6 -4,-3.4 4,-2.0 2,-0.2 -2,-0.2 0.931 115.1 45.3 -56.7 -48.7 15.8 79.7 19.7 45 72 A M H X S+ 0 0 4 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.956 116.8 43.9 -60.7 -51.9 17.6 82.9 18.6 46 73 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 3,-0.4 0.861 111.2 55.7 -63.5 -34.2 17.2 82.1 14.9 47 74 A W H < S+ 0 0 58 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.888 106.1 50.6 -65.8 -38.2 13.6 81.0 15.4 48 75 A K H < S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.683 113.4 45.1 -73.4 -19.0 12.7 84.3 17.0 49 76 A L H < S+ 0 0 69 -4,-1.0 2,-0.3 -3,-0.4 -2,-0.2 0.769 134.2 12.9 -91.0 -31.3 14.2 86.2 14.1 50 77 A N >< - 0 0 25 -4,-2.2 3,-1.0 -5,-0.2 -1,-0.4 -0.919 58.5-165.7-149.0 116.6 12.5 83.9 11.6 51 78 A R T 3 S+ 0 0 139 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.869 94.6 56.1 -69.7 -36.4 9.7 81.4 12.5 52 79 A N T 3 S+ 0 0 115 28,-0.1 -1,-0.2 2,-0.0 -5,-0.1 0.438 78.4 151.7 -76.5 2.1 10.2 79.6 9.2 53 80 A V < - 0 0 3 -3,-1.0 2,-0.2 -7,-0.2 -22,-0.1 -0.041 46.1-127.9 -39.0 117.0 13.8 79.0 10.0 54 81 A K - 0 0 69 -24,-0.5 -22,-2.0 26,-0.1 2,-0.3 -0.472 33.4-179.5 -69.1 140.7 15.0 75.8 8.2 55 82 A V E -b 32 0A 1 26,-0.2 28,-2.8 -24,-0.2 2,-0.3 -0.996 8.7-177.3-146.4 137.2 16.7 73.5 10.6 56 83 A F E -bc 33 83A 0 -24,-2.1 -22,-2.8 -2,-0.3 2,-0.3 -0.931 7.6-158.8-133.8 158.8 18.3 70.1 10.2 57 84 A S E - c 0 84A 1 26,-2.5 28,-3.0 -2,-0.3 2,-0.8 -0.985 20.1-126.1-137.3 146.2 20.0 67.5 12.4 58 85 A L E - c 0 85A 30 -24,-0.4 2,-1.1 -2,-0.3 28,-0.2 -0.835 18.3-162.7 -96.9 108.1 22.4 64.6 11.7 59 86 A D - 0 0 4 26,-3.0 -24,-0.0 -2,-0.8 -2,-0.0 -0.777 7.1-175.9 -91.6 97.4 21.1 61.4 13.1 60 87 A T - 0 0 3 -2,-1.1 -1,-0.2 26,-0.1 26,-0.1 0.614 44.8-119.0 -66.6 -12.8 24.2 59.2 13.1 61 88 A G S S+ 0 0 8 447,-0.1 449,-0.2 -3,-0.1 -1,-0.1 0.455 105.4 76.2 84.6 0.4 21.9 56.4 14.2 62 89 A R + 0 0 9 54,-0.1 140,-1.6 447,-0.1 447,-0.1 0.137 64.3 131.9-127.6 18.9 24.0 56.2 17.4 63 90 A L - 0 0 20 138,-0.2 138,-0.2 445,-0.2 -4,-0.0 -0.218 67.3 -89.4 -71.1 162.4 22.6 59.3 19.2 64 91 A H > - 0 0 5 136,-0.5 4,-2.1 1,-0.1 3,-0.3 -0.433 29.2-126.6 -68.1 143.7 21.6 59.2 22.9 65 92 A P H > S+ 0 0 16 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.912 115.7 56.4 -58.7 -36.6 17.9 58.3 23.3 66 93 A E H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 124,-0.2 0.871 104.6 51.7 -60.8 -36.6 17.8 61.6 25.4 67 94 A T H > S+ 0 0 1 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.886 107.9 51.7 -67.9 -37.3 19.1 63.4 22.3 68 95 A Y H X S+ 0 0 8 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.943 112.6 45.7 -64.1 -44.5 16.3 61.8 20.2 69 96 A R H X S+ 0 0 96 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.943 114.0 48.4 -62.9 -47.2 13.7 63.0 22.7 70 97 A F H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.924 108.0 53.2 -59.3 -49.4 15.2 66.5 22.9 71 98 A I H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.885 114.5 43.0 -53.5 -40.8 15.5 67.0 19.2 72 99 A D H X S+ 0 0 25 -4,-1.6 4,-3.3 -5,-0.2 5,-0.2 0.865 110.4 55.7 -75.1 -36.6 11.8 66.2 18.9 73 100 A Q H X S+ 0 0 86 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.893 109.2 47.3 -61.4 -38.7 10.9 68.2 21.9 74 101 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.5 0.965 111.8 51.7 -64.9 -50.7 12.6 71.2 20.3 75 102 A R H X>S+ 0 0 45 -4,-2.1 5,-2.2 -5,-0.2 4,-1.5 0.946 115.2 40.4 -46.7 -60.7 10.7 70.4 17.0 76 103 A E H <5S+ 0 0 150 -4,-3.3 -1,-0.2 3,-0.2 -2,-0.2 0.888 115.4 53.8 -58.1 -43.1 7.4 70.2 18.8 77 104 A H H <5S+ 0 0 114 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.962 119.9 27.7 -60.1 -59.5 8.1 73.3 21.0 78 105 A Y H <5S- 0 0 14 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.571 108.5-118.8 -82.1 -7.5 9.1 75.8 18.3 79 106 A G T <5 + 0 0 63 -4,-1.5 2,-0.4 -5,-0.5 -3,-0.2 0.972 59.6 154.3 68.0 53.7 6.8 74.1 15.8 80 107 A I < - 0 0 10 -5,-2.2 2,-2.1 -6,-0.2 -1,-0.2 -0.965 48.0-140.7-119.3 128.5 9.7 73.3 13.4 81 108 A A - 0 0 46 -2,-0.4 -26,-0.2 -5,-0.0 465,-0.1 -0.478 34.4-159.8 -84.8 69.3 9.7 70.5 10.9 82 109 A I - 0 0 4 -2,-2.1 2,-1.1 -11,-0.1 -26,-0.2 -0.150 15.8-124.9 -51.5 138.3 13.4 69.7 11.6 83 110 A D E -c 56 0A 27 -28,-2.8 -26,-2.5 462,-0.0 2,-0.8 -0.736 24.4-165.5 -91.4 96.2 15.1 67.7 8.9 84 111 A V E -c 57 0A 8 -2,-1.1 2,-0.3 456,-0.3 -26,-0.2 -0.732 11.4-161.1 -84.6 111.1 16.6 64.6 10.6 85 112 A L E -c 58 0A 13 -28,-3.0 -26,-3.0 -2,-0.8 36,-0.1 -0.704 3.2-157.7 -95.7 143.7 19.1 63.1 8.2 86 113 A S - 0 0 10 -2,-0.3 -26,-0.1 -28,-0.2 -25,-0.0 -0.679 24.1 -89.4-117.7 169.1 20.5 59.5 8.3 87 114 A P - 0 0 13 0, 0.0 29,-0.1 0, 0.0 -1,-0.1 -0.210 41.7-104.9 -71.3 167.5 23.5 57.7 7.1 88 115 A D >> - 0 0 14 27,-0.5 3,-3.1 1,-0.2 4,-2.3 -0.844 21.9-152.4 -95.7 109.3 23.7 55.9 3.7 89 116 A P H 3> S+ 0 0 9 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.798 94.1 67.4 -51.7 -28.9 23.4 52.2 4.2 90 117 A R H 34 S+ 0 0 166 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.689 114.6 29.6 -66.4 -14.3 25.4 51.6 1.1 91 118 A L H <> S+ 0 0 66 -3,-3.1 4,-0.7 24,-0.1 -1,-0.2 0.778 123.4 44.7-109.3 -44.7 28.3 53.1 3.0 92 119 A L H >X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 3,-1.4 0.952 103.7 61.8 -68.0 -52.9 27.7 52.3 6.7 93 120 A E H 3X S+ 0 0 46 -4,-1.4 4,-2.3 1,-0.3 438,-0.3 0.872 105.0 47.4 -43.2 -51.8 26.7 48.6 6.2 94 121 A P H 3> S+ 0 0 71 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.778 111.7 51.5 -66.4 -22.8 30.1 47.6 4.8 95 122 A L H S+ 0 0 10 -3,-1.4 4,-2.4 -4,-0.7 5,-0.6 0.941 114.0 41.8 -76.0 -47.1 31.9 49.5 7.6 96 123 A V H X5S+ 0 0 2 -4,-2.5 4,-1.0 3,-0.2 -1,-0.2 0.819 111.8 59.2 -67.7 -29.0 29.9 47.8 10.3 97 124 A K H <5S+ 0 0 66 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.985 118.7 25.7 -61.9 -60.0 30.2 44.5 8.5 98 125 A E H <5S+ 0 0 136 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.2 0.967 136.7 26.7 -69.4 -57.9 34.0 44.4 8.5 99 126 A K H <5S- 0 0 38 -4,-2.4 3,-0.4 -5,-0.3 -3,-0.2 0.610 98.5-136.0 -88.2 -13.7 34.9 46.5 11.5 100 127 A G << - 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