==== 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 2FJE . 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) . 48647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1044 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 4.4 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 . 3 0.2 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 . 110 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 170 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 430 27.2 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 6 0 0 0 6 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 3 3 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 . 16 6 8 2 2 2 3 3 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 0.000 360.0 360.0 360.0 140.4 37.6 10.0 110.8 2 3 A Y - 0 0 3 1327,-0.1 1326,-0.1 1326,-0.1 512,-0.1 -0.991 360.0-178.6-131.3 128.5 37.5 13.5 112.4 3 4 A Y - 0 0 61 1324,-0.5 502,-0.0 -2,-0.4 0, 0.0 -0.843 22.1-148.5-125.5 91.1 37.5 16.9 110.7 4 5 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.286 10.1-140.0 -60.8 143.9 37.5 19.7 113.3 5 6 A K S S- 0 0 99 1,-0.2 2,-0.3 2,-0.0 1313,-0.0 0.868 82.6 -3.2 -71.5 -38.3 35.7 22.9 112.4 6 7 A K S S- 0 0 63 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.983 82.2 -91.6-152.4 159.6 38.5 25.0 113.9 7 8 A Y - 0 0 107 -2,-0.3 556,-0.2 -3,-0.1 2,-0.2 -0.407 24.8-176.1 -75.4 149.6 41.8 24.7 115.8 8 9 A E + 0 0 54 554,-2.7 2,-0.4 -2,-0.1 -1,-0.0 -0.725 25.3 168.6-144.2 81.1 42.0 24.7 119.6 9 10 A L + 0 0 41 -2,-0.2 2,-0.3 554,-0.1 553,-0.1 -0.839 11.9 169.8-110.1 140.6 45.7 24.6 120.2 10 11 A Y - 0 0 62 -2,-0.4 2,-0.4 478,-0.2 482,-0.2 -0.992 26.8-133.4-143.8 146.9 47.7 25.0 123.4 11 12 A K >> - 0 0 101 -2,-0.3 3,-2.7 1,-0.1 4,-0.7 -0.812 30.6-117.0 -98.8 143.1 51.3 24.5 124.4 12 13 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.867 114.7 54.9 -45.4 -45.9 51.9 22.7 127.7 13 14 A D G 34 S+ 0 0 127 1,-0.3 -1,-0.3 472,-0.1 472,-0.0 0.531 104.7 54.5 -70.1 -5.0 53.6 25.8 129.2 14 15 A E G <4 S+ 0 0 127 -3,-2.7 -1,-0.3 2,-0.1 -2,-0.2 0.520 90.0 93.2-102.1 -9.8 50.6 27.9 128.4 15 16 A V S << S- 0 0 4 -3,-1.4 185,-0.1 -4,-0.7 2,-0.1 -0.742 74.1-130.9 -91.8 125.5 48.2 25.7 130.2 16 17 A P - 0 0 70 0, 0.0 185,-2.6 0, 0.0 2,-0.4 -0.435 19.3-134.4 -72.6 145.5 47.4 26.4 133.9 17 18 A T E -a 201 0A 60 183,-0.2 2,-0.5 -2,-0.1 185,-0.2 -0.834 11.2-158.7-103.2 138.1 47.6 23.5 136.4 18 19 A E E -a 202 0A 59 183,-3.2 185,-2.5 -2,-0.4 2,-0.5 -0.975 9.1-153.4-117.0 120.1 44.9 22.8 139.0 19 20 A V E -a 203 0A 76 -2,-0.5 2,-0.5 183,-0.2 185,-0.2 -0.818 9.7-169.8 -95.7 129.4 46.0 20.8 141.9 20 21 A V E -a 204 0A 5 183,-3.2 185,-3.0 -2,-0.5 2,-0.5 -0.975 4.5-160.9-122.5 119.6 43.3 18.8 143.7 21 22 A E E +a 205 0A 120 -2,-0.5 2,-0.3 183,-0.2 185,-0.2 -0.875 26.1 146.6-102.9 127.0 44.1 17.1 147.0 22 23 A T - 0 0 8 183,-2.8 185,-0.3 -2,-0.5 3,-0.1 -0.863 46.9-131.9-145.4 176.6 41.8 14.3 148.1 23 24 A D S S+ 0 0 25 27,-1.7 185,-2.0 1,-0.3 184,-1.3 0.817 95.2 28.2-101.0 -49.1 42.0 11.0 150.1 24 25 A I E -de 51 208B 1 26,-2.2 28,-3.1 183,-0.2 2,-0.5 -0.971 69.6-166.6-119.3 121.1 40.1 8.7 147.8 25 26 A L E -de 52 209B 0 183,-2.9 185,-3.4 -2,-0.5 2,-0.6 -0.931 2.6-163.1-110.3 123.1 40.1 9.3 144.0 26 27 A I E -de 53 210B 0 26,-3.1 28,-2.7 -2,-0.5 2,-0.8 -0.925 7.4-154.5-106.6 117.6 37.6 7.4 141.8 27 28 A I E +de 54 211B 6 183,-3.0 185,-2.4 -2,-0.6 28,-0.2 -0.814 67.5 26.8 -96.3 106.3 38.5 7.5 138.1 28 29 A G - 0 0 8 26,-3.1 27,-0.2 -2,-0.8 186,-0.1 0.286 62.7-141.9 112.6 120.6 35.4 7.0 136.1 29 30 A G + 0 0 0 4,-0.1 33,-0.2 24,-0.1 26,-0.1 -0.263 62.2 112.0-106.7 45.7 31.8 7.9 137.0 30 31 A G S > S- 0 0 14 182,-0.6 4,-2.1 -2,-0.1 5,-0.2 0.112 91.0 -60.4 -91.7-148.8 30.0 4.9 135.4 31 32 A F H > S+ 0 0 17 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.921 136.5 41.0 -68.0 -44.0 28.2 2.2 137.4 32 33 A S H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 116.8 49.8 -69.9 -42.8 31.2 0.9 139.4 33 34 A G H > S+ 0 0 0 179,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.887 110.7 49.0 -61.1 -41.0 32.6 4.4 140.0 34 35 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.843 109.4 53.5 -67.6 -33.0 29.2 5.6 141.2 35 36 A G H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 5,-0.3 0.891 110.8 46.5 -67.1 -38.5 29.0 2.6 143.5 36 37 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.900 112.4 49.6 -69.4 -41.3 32.4 3.5 144.9 37 38 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.923 112.3 48.9 -63.0 -44.6 31.4 7.2 145.4 38 39 A Y H X S+ 0 0 0 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.957 118.4 36.5 -59.5 -56.1 28.2 6.2 147.1 39 40 A E H >X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.8 0.904 112.6 58.1 -67.2 -43.0 29.7 3.7 149.6 40 41 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 -1,-0.2 0.875 100.9 57.5 -55.6 -39.4 32.9 5.7 150.1 41 42 A A H 3X S+ 0 0 15 -4,-1.7 4,-0.6 -5,-0.2 -1,-0.3 0.839 104.6 53.9 -61.1 -32.8 30.9 8.7 151.3 42 43 A Y H << S+ 0 0 10 -4,-0.8 3,-0.5 -3,-0.8 -2,-0.2 0.963 118.0 30.6 -67.4 -53.5 29.3 6.5 154.0 43 44 A W H >< S+ 0 0 6 -4,-1.6 3,-2.2 1,-0.2 4,-0.3 0.766 103.1 77.0 -79.0 -26.2 32.5 5.2 155.6 44 45 A A H >X>S+ 0 0 4 -4,-2.7 5,-2.3 1,-0.3 3,-1.9 0.784 79.4 73.8 -55.1 -29.1 34.7 8.3 154.9 45 46 A K T 3<5S+ 0 0 101 -4,-0.6 -1,-0.3 -3,-0.5 3,-0.3 0.766 81.2 72.5 -57.9 -24.6 32.9 10.1 157.7 46 47 A L T <45S+ 0 0 46 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.775 117.3 17.3 -62.3 -27.1 35.0 8.0 160.1 47 48 A G T <45S- 0 0 40 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.235 106.5-111.2-128.4 11.7 38.1 9.9 159.3 48 49 A G T <5 + 0 0 67 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.842 58.9 177.2 59.9 31.5 36.6 13.0 157.7 49 50 A L < - 0 0 26 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.2 -0.357 28.2-127.1 -71.1 147.3 38.1 11.7 154.5 50 51 A K - 0 0 80 -3,-0.1 -26,-2.2 -2,-0.1 -27,-1.7 -0.813 19.9-160.2 -97.1 131.9 37.6 13.5 151.2 51 52 A V E -d 24 0B 6 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.958 7.4-168.6-114.5 129.4 36.2 11.5 148.3 52 53 A T E -d 25 0B 0 -28,-3.1 -26,-3.1 -2,-0.5 2,-0.5 -0.968 7.5-162.7-124.1 134.3 36.7 12.7 144.7 53 54 A L E -df 26 169B 0 115,-2.7 117,-3.2 -2,-0.4 2,-0.5 -0.961 6.7-168.2-116.4 125.2 35.1 11.4 141.6 54 55 A V E +df 27 170B 1 -28,-2.7 -26,-3.1 -2,-0.5 2,-0.4 -0.956 7.7 177.9-117.2 130.8 36.5 12.3 138.2 55 56 A E E - f 0 171B 16 115,-3.2 118,-1.9 -2,-0.5 117,-0.5 -0.994 28.7-146.6-133.3 136.1 34.6 11.6 134.9 56 57 A K S S+ 0 0 29 -2,-0.4 118,-0.2 116,-0.3 140,-0.2 0.804 91.4 17.3 -71.9 -28.1 35.6 12.4 131.3 57 58 A A S S- 0 0 1 115,-0.1 115,-1.7 116,-0.1 2,-0.5 0.081 113.3 -55.5-112.7-134.9 32.0 13.1 130.3 58 59 A A >> - 0 0 0 1251,-0.3 4,-1.7 113,-0.2 3,-1.6 -0.972 35.6-140.9-119.8 125.5 28.9 13.8 132.4 59 60 A V T 34 S+ 0 0 6 -2,-0.5 98,-0.1 1,-0.3 -1,-0.1 0.761 93.1 75.4 -52.9 -31.9 27.9 11.3 135.1 60 61 A E T 34 S+ 0 0 53 1,-0.2 -1,-0.3 97,-0.1 97,-0.2 0.850 124.3 0.8 -51.2 -38.3 24.2 11.7 134.4 61 62 A R T <4 S+ 0 0 0 -3,-1.6 -1,-0.2 1248,-0.2 -2,-0.2 0.323 96.4 134.8-134.9 7.1 24.6 9.5 131.3 62 63 A S < + 0 0 1 -4,-1.7 3,-0.4 -33,-0.2 2,-0.1 -0.221 53.0 10.0 -66.0 147.3 28.2 8.5 131.1 63 64 A G S > S- 0 0 9 1,-0.2 3,-1.7 1248,-0.2 173,-0.1 -0.267 111.1 -28.4 89.6-172.4 29.3 4.9 130.3 64 65 A A T 3 S+ 0 0 32 1,-0.3 3,-0.4 171,-0.1 -1,-0.2 0.710 129.0 58.4 -55.2 -26.7 27.7 1.7 129.2 65 66 A V T 3 + 0 0 10 -3,-0.4 88,-0.6 1,-0.2 3,-0.4 0.157 66.8 117.7 -95.6 21.4 24.3 2.6 130.7 66 67 A A S < S+ 0 0 0 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.854 84.8 36.0 -54.7 -39.6 23.9 5.8 128.7 67 68 A Q S S- 0 0 2 -3,-0.4 -1,-0.3 1,-0.4 2,-0.2 0.623 119.4-115.2 -89.2 -13.6 20.7 4.6 127.0 68 69 A G - 0 0 1 -3,-0.4 -1,-0.4 296,-0.2 2,-0.3 -0.578 28.6 -95.8 105.5-174.0 19.6 2.7 130.0 69 70 A L E -I 149 0C 32 80,-1.1 80,-0.8 -2,-0.2 83,-0.1 -0.983 8.9-142.3-142.2 151.0 19.2 -1.1 130.3 70 71 A S E S+ 0 0 0 -2,-0.3 77,-2.3 290,-0.2 2,-0.3 0.537 83.7 13.7 -91.4 -7.7 16.3 -3.4 129.9 71 72 A A E -I 146 0C 9 75,-0.3 2,-0.7 78,-0.1 75,-0.2 -0.985 67.8-118.3-160.0 162.9 17.3 -5.7 132.8 72 73 A I E -I 145 0C 2 73,-2.8 73,-2.1 -2,-0.3 3,-0.1 -0.961 27.9-159.3-105.9 112.2 19.5 -6.2 135.8 73 74 A N S S+ 0 0 43 -2,-0.7 2,-0.4 71,-0.2 -1,-0.1 0.531 73.6 53.4 -75.3 -6.0 21.6 -9.2 134.8 74 75 A T + 0 0 0 372,-0.1 2,-0.3 71,-0.1 70,-0.2 -0.866 56.1 131.8-136.9 104.2 22.6 -10.1 138.3 75 76 A Y - 0 0 0 68,-1.9 37,-0.1 -2,-0.4 -3,-0.0 -0.866 26.0-173.2-147.6 106.5 20.0 -10.6 141.1 76 77 A I - 0 0 0 -2,-0.3 10,-0.5 36,-0.2 -1,-0.1 0.950 22.6-150.3 -66.6 -50.3 20.4 -13.8 143.2 77 78 A D - 0 0 0 8,-0.2 9,-1.8 1346,-0.1 -2,-0.0 0.969 18.9-178.3 71.3 86.0 17.2 -13.4 145.2 78 79 A L S S+ 0 0 40 1345,-0.3 7,-0.1 7,-0.2 -1,-0.1 0.383 78.5 35.2 -93.5 2.2 17.9 -15.1 148.5 79 80 A T S S- 0 0 54 1344,-0.1 -1,-0.1 1346,-0.1 6,-0.1 0.599 113.7 -96.0-128.1 -23.5 14.4 -14.5 149.9 80 81 A G S S+ 0 0 11 4,-0.1 5,-0.1 6,-0.1 -2,-0.0 0.724 71.4 138.4 109.7 29.1 11.9 -14.8 147.1 81 82 A R S S+ 0 0 90 55,-0.1 56,-2.8 3,-0.1 2,-0.2 0.692 71.8 48.5 -75.4 -19.0 11.3 -11.2 145.9 82 83 A S B S-k 137 0D 7 54,-0.3 56,-0.2 2,-0.1 3,-0.1 -0.566 103.6 -93.0-112.7 179.5 11.4 -12.5 142.3 83 84 A E S S+ 0 0 105 54,-1.8 2,-0.3 1,-0.2 55,-0.1 0.631 112.2 38.4 -67.3 -14.8 9.7 -15.3 140.4 84 85 A R - 0 0 122 53,-0.2 2,-0.2 58,-0.1 -1,-0.2 -0.927 69.3-153.3-146.8 121.4 12.8 -17.5 141.2 85 86 A Q - 0 0 111 -2,-0.3 2,-0.3 -3,-0.1 -7,-0.2 -0.601 18.7-175.1 -86.9 149.3 15.0 -17.8 144.2 86 87 A N - 0 0 12 -9,-1.8 2,-0.3 -10,-0.5 -6,-0.1 -0.895 19.3-122.9-138.5 166.8 18.6 -19.0 143.9 87 88 A T > - 0 0 61 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.758 20.5-124.3-110.2 159.6 21.5 -19.9 146.2 88 89 A L H > S+ 0 0 4 -2,-0.3 4,-2.7 1342,-0.2 5,-0.2 0.880 111.0 56.0 -69.2 -38.1 25.0 -18.3 146.2 89 90 A E H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 107.3 49.3 -60.6 -41.9 26.7 -21.7 145.7 90 91 A D H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.854 111.4 50.1 -65.6 -35.3 24.7 -22.3 142.5 91 92 A Y H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.940 109.7 48.6 -68.8 -47.4 25.6 -18.8 141.3 92 93 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.918 112.5 50.0 -57.7 -43.7 29.3 -19.3 141.9 93 94 A R H X S+ 0 0 41 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.937 109.0 52.7 -58.4 -48.8 29.1 -22.7 140.1 94 95 A Y H X S+ 0 0 35 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.908 111.2 45.0 -53.6 -48.9 27.4 -21.0 137.2 95 96 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.897 113.0 49.7 -67.2 -41.2 30.0 -18.3 136.8 96 97 A T H <>S+ 0 0 1 -4,-2.4 5,-2.7 1,-0.2 6,-0.4 0.933 113.0 47.1 -64.4 -43.7 33.0 -20.7 137.1 97 98 A L H ><5S+ 0 0 3 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.860 108.8 54.1 -66.7 -34.3 31.4 -23.1 134.5 98 99 A D H 3<5S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 105.8 54.0 -67.2 -31.3 30.7 -20.2 132.2 99 100 A M T ><5S- 0 0 0 -4,-1.7 3,-1.3 -5,-0.1 -1,-0.3 0.235 122.2-111.7 -83.8 13.9 34.4 -19.3 132.4 100 101 A M T < 5S- 0 0 0 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.892 80.6 -42.1 55.6 41.2 35.1 -22.8 131.4 101 102 A G T 3 > - 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