==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JAN-06 2FJA . COMPND 2 MOLECULE: ADENYLYLSULFATE REDUCTASE, SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR A.SCHIFFER,G.FRITZ,P.M.KRONECK,U.ERMLER . 1582 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1041 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 113 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 426 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.8 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 5 5 0 0 1 5 0 2 0 4 2 2 2 0 2 0 2 2 0 2 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 2 4 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 0 PARALLEL BRIDGES PER LADDER . 17 6 8 2 2 2 4 2 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 . 6 8 4 2 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 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 2 A V 0 0 35 0, 0.0 2,-0.4 0, 0.0 1329,-0.4 0.000 360.0 360.0 360.0 141.4 37.6 10.0 111.1 2 3 A Y - 0 0 3 1327,-0.1 1326,-0.1 1326,-0.1 512,-0.1 -0.989 360.0-178.7-132.4 128.3 37.6 13.4 112.7 3 4 A Y - 0 0 68 1324,-0.5 3,-0.0 -2,-0.4 0, 0.0 -0.841 21.7-148.3-125.4 92.3 37.5 16.8 111.0 4 5 A P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.304 10.5-139.1 -60.8 142.3 37.5 19.6 113.6 5 6 A K S S- 0 0 100 1,-0.2 2,-0.3 2,-0.0 1313,-0.0 0.897 83.4 -2.0 -67.5 -42.3 35.7 22.8 112.7 6 7 A K S S- 0 0 61 2,-0.0 -1,-0.2 -3,-0.0 556,-0.0 -0.988 82.7 -92.0-150.1 157.0 38.5 24.9 114.2 7 8 A Y - 0 0 105 -2,-0.3 556,-0.2 -3,-0.1 2,-0.1 -0.276 24.7-177.5 -70.3 153.6 41.8 24.6 116.1 8 9 A E + 0 0 50 554,-2.4 2,-0.4 2,-0.0 -1,-0.1 -0.601 24.4 167.2-150.6 73.9 42.1 24.6 119.9 9 10 A L + 0 0 42 554,-0.1 2,-0.3 -2,-0.1 553,-0.1 -0.780 11.4 173.2-104.2 141.5 45.8 24.3 120.5 10 11 A Y - 0 0 60 -2,-0.4 2,-0.4 478,-0.2 481,-0.1 -0.994 25.4-133.4-142.6 145.0 47.8 24.8 123.7 11 12 A K >> - 0 0 99 -2,-0.3 3,-2.3 1,-0.1 4,-0.8 -0.803 29.9-116.8 -97.6 142.1 51.4 24.3 124.6 12 13 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.874 114.3 52.5 -42.7 -51.6 52.1 22.5 127.9 13 14 A D G 34 S+ 0 0 127 1,-0.3 -1,-0.3 472,-0.0 472,-0.0 0.663 105.7 55.5 -63.7 -16.3 53.8 25.5 129.5 14 15 A E G <4 S+ 0 0 128 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.593 90.1 93.6 -90.6 -12.3 50.8 27.7 128.6 15 16 A V S << S- 0 0 4 -3,-1.6 185,-0.2 -4,-0.8 2,-0.1 -0.692 74.4-130.8 -87.9 127.6 48.4 25.4 130.5 16 17 A P - 0 0 70 0, 0.0 185,-2.7 0, 0.0 2,-0.4 -0.474 18.2-133.7 -75.5 144.9 47.6 26.1 134.1 17 18 A T E -a 201 0A 64 183,-0.2 2,-0.5 -2,-0.1 185,-0.2 -0.826 12.6-161.8-101.9 136.8 47.8 23.3 136.6 18 19 A E E -a 202 0A 63 183,-3.2 185,-2.3 -2,-0.4 2,-0.5 -0.977 10.1-154.0-118.0 119.1 45.1 22.6 139.2 19 20 A V E -a 203 0A 74 -2,-0.5 2,-0.5 183,-0.2 185,-0.2 -0.806 8.5-168.6 -96.2 132.0 46.1 20.5 142.1 20 21 A V E -a 204 0A 6 183,-3.0 185,-3.0 -2,-0.5 2,-0.5 -0.972 3.3-162.4-123.9 118.4 43.5 18.4 144.0 21 22 A E E +a 205 0A 124 -2,-0.5 2,-0.3 183,-0.2 185,-0.2 -0.861 26.7 142.6-102.3 130.6 44.3 16.7 147.3 22 23 A T - 0 0 8 183,-2.3 185,-0.2 -2,-0.5 3,-0.1 -0.871 48.3-129.0-150.9 178.8 42.0 14.0 148.4 23 24 A D S S+ 0 0 24 27,-1.9 185,-2.2 1,-0.3 184,-1.4 0.808 94.8 29.9-104.2 -48.9 42.2 10.6 150.3 24 25 A I E -de 51 208B 0 26,-2.1 28,-2.9 183,-0.2 2,-0.5 -0.965 69.4-166.8-117.4 120.0 40.2 8.3 148.0 25 26 A L E -de 52 209B 0 183,-2.9 185,-3.2 -2,-0.5 2,-0.6 -0.932 3.2-161.9-110.3 121.9 40.2 9.0 144.2 26 27 A I E -de 53 210B 0 26,-3.3 28,-2.7 -2,-0.5 2,-0.8 -0.907 5.3-157.6-103.9 116.6 37.7 7.2 142.1 27 28 A I E +de 54 211B 6 183,-2.9 185,-2.7 -2,-0.6 28,-0.2 -0.833 67.1 31.1 -98.3 104.8 38.6 7.2 138.3 28 29 A G - 0 0 9 26,-2.8 27,-0.2 -2,-0.8 186,-0.1 0.321 61.2-146.6 116.2 113.9 35.5 6.6 136.3 29 30 A G + 0 0 0 4,-0.1 33,-0.2 184,-0.1 26,-0.1 -0.207 61.7 110.7-102.3 42.2 31.9 7.6 137.2 30 31 A G S > S- 0 0 14 182,-0.6 4,-2.2 31,-0.1 5,-0.2 0.159 92.1 -61.1 -89.3-147.1 30.1 4.7 135.6 31 32 A F H > S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.931 137.0 41.6 -69.9 -45.7 28.3 2.0 137.6 32 33 A S H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 116.8 51.2 -67.2 -41.1 31.3 0.6 139.5 33 34 A G H > S+ 0 0 0 179,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.909 110.2 46.8 -61.1 -45.4 32.6 4.1 140.1 34 35 A C H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.840 109.7 55.9 -66.2 -31.8 29.2 5.4 141.4 35 36 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.897 110.0 45.3 -66.2 -38.6 29.0 2.3 143.6 36 37 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.913 112.0 50.9 -70.5 -42.7 32.4 3.2 145.1 37 38 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.910 111.6 49.2 -60.4 -43.2 31.5 6.8 145.6 38 39 A Y H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.957 117.8 37.2 -60.0 -56.5 28.3 5.8 147.4 39 40 A E H >X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 3,-0.5 0.884 113.1 56.8 -67.2 -41.0 29.9 3.4 149.8 40 41 A A H 3X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.916 102.1 57.2 -57.4 -42.8 33.1 5.4 150.3 41 42 A A H 3X S+ 0 0 15 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.829 105.0 53.1 -57.1 -34.5 30.9 8.4 151.5 42 43 A Y H << S+ 0 0 10 -4,-0.9 3,-0.4 -3,-0.5 -1,-0.2 0.958 118.6 30.4 -67.5 -53.4 29.4 6.2 154.2 43 44 A W H >< S+ 0 0 4 -4,-1.7 3,-2.0 1,-0.2 4,-0.2 0.758 102.0 78.6 -79.8 -26.5 32.6 4.9 155.8 44 45 A A H >X>S+ 0 0 4 -4,-2.9 3,-2.4 1,-0.3 5,-2.1 0.816 79.8 72.3 -52.4 -33.2 34.8 8.0 155.1 45 46 A K G ><5S+ 0 0 100 -4,-0.6 3,-0.8 -3,-0.4 -1,-0.3 0.818 79.0 75.4 -53.9 -31.4 33.1 9.8 158.0 46 47 A L G <45S+ 0 0 41 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.692 117.9 15.5 -55.9 -17.8 35.1 7.5 160.4 47 48 A G G <45S- 0 0 41 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.246 106.0-109.3-140.2 12.3 38.1 9.6 159.5 48 49 A G T <<5 + 0 0 66 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.781 59.4 177.2 61.3 26.1 36.7 12.7 157.9 49 50 A L < - 0 0 26 -5,-2.1 2,-0.5 -6,-0.1 -1,-0.2 -0.300 28.3-127.0 -66.1 144.1 38.2 11.4 154.7 50 51 A K - 0 0 79 -3,-0.1 -26,-2.1 -2,-0.0 -27,-1.9 -0.803 20.5-160.5 -95.1 128.0 37.7 13.2 151.4 51 52 A V E -d 24 0B 7 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.918 7.8-169.1-109.5 134.4 36.3 11.1 148.5 52 53 A T E -d 25 0B 0 -28,-2.9 -26,-3.3 -2,-0.4 2,-0.5 -0.989 8.4-164.4-129.8 133.3 36.8 12.4 145.0 53 54 A L E -df 26 169B 0 115,-2.9 117,-3.2 -2,-0.4 2,-0.4 -0.967 6.5-169.1-117.1 124.0 35.2 11.1 141.8 54 55 A V E +df 27 170B 1 -28,-2.7 -26,-2.8 -2,-0.5 2,-0.4 -0.946 6.7 178.9-115.6 134.6 36.6 12.1 138.4 55 56 A E - 0 0 16 115,-3.2 118,-2.1 -2,-0.4 117,-0.3 -0.998 28.6-145.2-136.2 136.0 34.7 11.4 135.2 56 57 A K S S+ 0 0 30 -2,-0.4 118,-0.2 116,-0.3 140,-0.1 0.763 92.0 16.7 -72.4 -25.3 35.7 12.3 131.6 57 58 A A S S- 0 0 1 115,-0.2 115,-1.9 116,-0.1 2,-0.5 0.025 113.1 -54.8-115.9-135.0 32.1 12.9 130.5 58 59 A A >> - 0 0 0 1251,-0.3 4,-1.6 113,-0.2 3,-1.6 -0.971 35.4-141.7-120.5 124.2 29.0 13.5 132.7 59 60 A V T 34 S+ 0 0 6 -2,-0.5 98,-0.1 1,-0.3 -1,-0.1 0.741 92.5 75.3 -52.5 -31.8 28.0 11.1 135.4 60 61 A E T 34 S+ 0 0 48 1,-0.2 -1,-0.3 97,-0.1 97,-0.2 0.860 124.3 1.4 -51.9 -38.0 24.3 11.4 134.7 61 62 A R T <4 S+ 0 0 0 -3,-1.6 -1,-0.2 1248,-0.2 -2,-0.2 0.325 96.6 134.1-133.7 5.7 24.6 9.3 131.5 62 63 A S < + 0 0 1 -4,-1.6 3,-0.5 -33,-0.2 2,-0.1 -0.201 53.3 9.9 -65.6 149.4 28.3 8.3 131.3 63 64 A G S > S- 0 0 9 1248,-0.2 3,-1.6 1,-0.2 173,-0.1 -0.279 111.8 -28.0 88.1-170.6 29.4 4.7 130.5 64 65 A A T 3 S+ 0 0 31 1,-0.3 3,-0.4 171,-0.1 -1,-0.2 0.675 128.8 59.1 -57.5 -23.9 27.7 1.5 129.4 65 66 A V T > + 0 0 10 -3,-0.5 3,-0.6 1,-0.2 88,-0.6 0.185 66.6 117.8 -97.1 20.3 24.3 2.4 130.9 66 67 A A T < S+ 0 0 0 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.853 84.4 36.5 -52.2 -41.7 23.9 5.7 128.9 67 68 A Q T 3 S- 0 0 1 -3,-0.4 -1,-0.3 1,-0.4 2,-0.2 0.605 119.2-116.0 -88.0 -12.2 20.8 4.4 127.2 68 69 A G < - 0 0 1 -3,-0.6 -1,-0.4 296,-0.2 2,-0.3 -0.519 29.5 -94.8 102.3-176.6 19.6 2.6 130.3 69 70 A L E -I 149 0C 31 80,-1.3 80,-0.8 -2,-0.2 83,-0.1 -0.950 8.6-143.2-137.7 157.6 19.2 -1.2 130.6 70 71 A S E S+ 0 0 1 -2,-0.3 77,-2.3 290,-0.2 2,-0.3 0.532 82.7 12.6 -98.3 -8.8 16.3 -3.6 130.2 71 72 A A E -I 146 0C 5 75,-0.3 2,-0.7 78,-0.1 75,-0.2 -0.977 67.4-117.5-158.7 165.1 17.2 -5.9 133.0 72 73 A I E -I 145 0C 0 73,-2.7 73,-1.9 -2,-0.3 3,-0.1 -0.967 28.2-160.0-108.4 110.0 19.5 -6.5 136.0 73 74 A N S S+ 0 0 45 -2,-0.7 2,-0.4 71,-0.2 -1,-0.1 0.577 73.5 52.7 -72.2 -10.1 21.6 -9.5 135.0 74 75 A T + 0 0 0 372,-0.1 2,-0.3 71,-0.1 70,-0.2 -0.876 57.2 131.7-134.5 104.6 22.6 -10.4 138.5 75 76 A Y - 0 0 0 68,-1.9 37,-0.1 -2,-0.4 -3,-0.0 -0.864 26.0-173.1-148.7 107.3 20.1 -10.9 141.3 76 77 A I - 0 0 0 -2,-0.3 10,-0.5 36,-0.2 -1,-0.1 0.950 22.7-150.0 -67.2 -50.9 20.4 -14.1 143.3 77 78 A D - 0 0 0 8,-0.2 9,-1.7 1346,-0.1 1347,-0.1 0.962 18.7-178.0 72.5 86.0 17.2 -13.6 145.3 78 79 A L S S+ 0 0 41 1345,-0.3 7,-0.1 7,-0.2 -1,-0.1 0.449 79.0 35.9 -92.8 -1.1 17.9 -15.3 148.7 79 80 A T S S- 0 0 57 1344,-0.1 -1,-0.1 1346,-0.1 6,-0.1 0.590 114.0 -97.6-124.4 -21.4 14.4 -14.7 150.1 80 81 A G S S+ 0 0 8 4,-0.1 5,-0.1 6,-0.1 -3,-0.0 0.778 71.1 139.0 105.3 33.9 11.9 -15.0 147.2 81 82 A R S S+ 0 0 87 3,-0.1 56,-2.8 55,-0.1 2,-0.2 0.683 71.2 50.6 -79.7 -18.1 11.3 -11.5 146.1 82 83 A S B S-k 137 0D 7 54,-0.3 56,-0.2 2,-0.1 3,-0.1 -0.533 103.6 -94.3-110.4 179.8 11.4 -12.7 142.5 83 84 A E S S+ 0 0 105 54,-1.7 2,-0.3 1,-0.2 55,-0.1 0.605 111.7 39.9 -69.8 -12.1 9.8 -15.5 140.6 84 85 A R - 0 0 119 53,-0.2 2,-0.3 58,-0.1 -1,-0.2 -0.924 68.7-154.0-148.2 122.3 12.8 -17.7 141.3 85 86 A Q - 0 0 113 -2,-0.3 2,-0.3 -3,-0.1 -8,-0.2 -0.637 19.1-176.0 -88.9 147.3 15.0 -18.1 144.4 86 87 A N - 0 0 13 -9,-1.7 2,-0.3 -10,-0.5 -6,-0.1 -0.863 20.5-121.3-136.9 169.5 18.6 -19.3 144.0 87 88 A T > - 0 0 60 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.780 21.6-124.3-110.6 158.6 21.6 -20.2 146.3 88 89 A L H > S+ 0 0 5 -2,-0.3 4,-2.4 1342,-0.2 5,-0.2 0.846 111.7 56.8 -69.0 -33.7 25.0 -18.6 146.3 89 90 A E H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 105.9 50.0 -64.6 -39.4 26.7 -22.0 145.7 90 91 A D H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.855 110.9 50.4 -66.7 -36.0 24.6 -22.5 142.5 91 92 A Y H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.931 110.1 48.1 -68.1 -45.9 25.6 -19.0 141.3 92 93 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.936 113.2 48.7 -59.2 -46.7 29.3 -19.6 141.9 93 94 A R H X S+ 0 0 42 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.920 109.3 53.9 -57.4 -46.7 29.1 -22.9 140.1 94 95 A Y H X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.891 111.7 43.8 -55.8 -44.4 27.3 -21.2 137.2 95 96 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.929 112.8 49.9 -70.7 -45.9 30.0 -18.6 136.8 96 97 A T H <>S+ 0 0 1 -4,-2.6 5,-2.9 1,-0.2 6,-0.3 0.914 113.4 47.3 -59.2 -43.6 33.0 -21.0 137.1 97 98 A L H ><5S+ 0 0 4 -4,-2.6 3,-1.9 -5,-0.2 -1,-0.2 0.892 108.7 53.8 -65.9 -39.4 31.4 -23.3 134.5 98 99 A D H 3<5S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.849 106.2 53.9 -63.1 -32.0 30.6 -20.4 132.2 99 100 A M T ><5S- 0 0 0 -4,-1.9 3,-1.2 -5,-0.1 -1,-0.3 0.281 121.3-112.8 -83.3 10.6 34.3 -19.5 132.4 100 101 A M T < 5S- 0 0 0 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.863 80.2 -41.7 59.2 36.7 35.1 -23.1 131.4 101 102 A G T 3 > - 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