==== 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 2FJD . 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) . 48642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1050 66.4 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 . 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 . 109 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 175 11.1 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 . 29 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 6 6 0 0 0 6 0 2 0 4 2 2 2 1 1 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 . 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 32 0, 0.0 2,-0.4 0, 0.0 1329,-0.4 0.000 360.0 360.0 360.0 139.8 37.6 10.0 110.9 2 3 A Y - 0 0 2 1327,-0.1 1326,-0.1 1326,-0.1 512,-0.1 -0.989 360.0-179.8-130.0 131.1 37.6 13.5 112.5 3 4 A Y - 0 0 79 1324,-0.5 502,-0.0 -2,-0.4 0, 0.0 -0.818 21.1-148.9-129.3 90.3 37.5 16.9 110.8 4 5 A P - 0 0 23 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.266 10.7-139.8 -60.2 143.3 37.5 19.7 113.4 5 6 A K S S- 0 0 116 1,-0.2 2,-0.3 2,-0.0 1313,-0.0 0.867 83.4 -3.2 -70.5 -38.9 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 -0.974 82.6 -91.9-151.2 161.3 38.5 25.0 113.9 7 8 A Y - 0 0 108 -2,-0.3 556,-0.2 -3,-0.1 2,-0.2 -0.404 24.1-175.9 -77.4 153.4 41.7 24.7 115.8 8 9 A E + 0 0 54 554,-2.5 2,-0.4 -2,-0.1 -1,-0.0 -0.708 25.4 169.8-147.5 81.5 42.0 24.7 119.6 9 10 A L + 0 0 43 -2,-0.2 2,-0.3 554,-0.1 553,-0.1 -0.840 11.9 171.9-110.4 140.7 45.7 24.5 120.3 10 11 A Y - 0 0 59 -2,-0.4 2,-0.4 478,-0.2 482,-0.1 -0.992 25.7-134.7-142.2 146.9 47.7 25.0 123.5 11 12 A K >> - 0 0 101 -2,-0.3 3,-2.5 1,-0.1 4,-0.7 -0.822 30.7-117.4 -99.9 142.3 51.3 24.5 124.4 12 13 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.862 114.2 54.2 -44.5 -46.6 51.9 22.7 127.7 13 14 A D G 34 S+ 0 0 125 1,-0.3 -1,-0.3 472,-0.1 472,-0.0 0.614 104.9 54.6 -68.2 -12.0 53.6 25.7 129.3 14 15 A E G <4 S+ 0 0 126 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.553 90.1 93.8 -95.6 -10.5 50.6 27.9 128.5 15 16 A V S << S- 0 0 3 -3,-1.3 185,-0.1 -4,-0.7 2,-0.1 -0.722 74.2-131.5 -89.5 124.7 48.2 25.6 130.3 16 17 A P - 0 0 71 0, 0.0 185,-2.7 0, 0.0 2,-0.4 -0.430 18.7-134.3 -72.7 147.1 47.4 26.4 133.9 17 18 A T E -a 201 0A 59 183,-0.2 2,-0.5 -2,-0.1 185,-0.2 -0.856 11.6-159.6-104.5 136.3 47.6 23.5 136.4 18 19 A E E -a 202 0A 61 183,-3.3 185,-2.3 -2,-0.4 2,-0.5 -0.973 9.9-153.2-115.7 120.7 44.9 22.8 139.0 19 20 A V E -a 203 0A 77 -2,-0.5 2,-0.5 183,-0.2 185,-0.2 -0.819 9.0-168.3 -96.6 130.1 46.0 20.7 141.9 20 21 A V E -a 204 0A 5 183,-3.2 185,-3.1 -2,-0.5 2,-0.5 -0.972 3.7-161.2-121.9 119.8 43.3 18.7 143.7 21 22 A E E +a 205 0A 123 -2,-0.5 2,-0.3 183,-0.2 185,-0.2 -0.875 26.6 145.9-102.9 127.0 44.1 17.1 147.1 22 23 A T - 0 0 8 183,-2.7 185,-0.3 -2,-0.5 3,-0.2 -0.879 47.4-131.9-146.8 175.3 41.8 14.2 148.2 23 24 A D S S+ 0 0 24 27,-1.5 185,-2.1 1,-0.3 184,-1.3 0.832 95.6 28.6 -99.9 -49.3 42.0 11.0 150.1 24 25 A I E -de 51 208B 0 26,-2.3 28,-3.1 183,-0.2 2,-0.5 -0.966 69.3-167.3-118.4 120.0 40.1 8.6 147.8 25 26 A L E -de 52 209B 0 183,-2.8 185,-3.1 -2,-0.5 2,-0.6 -0.932 3.0-163.0-109.3 122.4 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 -0.924 6.6-155.2-106.4 117.5 37.6 7.4 141.9 27 28 A I E +de 54 211B 5 183,-2.8 185,-2.5 -2,-0.6 28,-0.2 -0.826 66.9 28.8 -97.4 107.1 38.5 7.5 138.2 28 29 A G - 0 0 8 26,-3.1 27,-0.2 -2,-0.8 186,-0.1 0.315 62.5-142.9 113.0 117.8 35.4 6.9 136.1 29 30 A G + 0 0 0 4,-0.1 33,-0.2 24,-0.1 26,-0.1 -0.202 62.4 112.1-103.0 42.4 31.8 7.9 137.0 30 31 A G S > S- 0 0 13 182,-0.6 4,-2.0 31,-0.1 5,-0.2 0.181 90.4 -61.2 -88.8-147.4 30.1 4.9 135.4 31 32 A F H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.922 136.3 40.6 -70.1 -43.5 28.3 2.2 137.3 32 33 A S H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 116.9 50.4 -70.6 -42.1 31.2 0.8 139.3 33 34 A G H > S+ 0 0 0 179,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.887 110.0 49.2 -61.5 -41.5 32.5 4.3 140.0 34 35 A C H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.850 109.2 53.6 -66.8 -33.4 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,-0.2 0.895 110.5 46.9 -66.6 -38.6 29.0 2.5 143.5 36 37 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.915 112.2 49.3 -68.3 -42.9 32.4 3.4 144.9 37 38 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.912 112.1 49.5 -62.1 -43.8 31.4 7.1 145.4 38 39 A Y H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.960 118.4 36.3 -59.7 -55.8 28.2 6.1 147.1 39 40 A E H >X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.7 0.895 113.0 57.7 -68.3 -41.5 29.7 3.7 149.6 40 41 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.3 -1,-0.2 0.890 101.7 56.9 -56.5 -41.0 32.9 5.7 150.1 41 42 A A H 3X S+ 0 0 14 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.3 0.830 105.1 53.6 -60.0 -32.8 30.9 8.7 151.3 42 43 A Y H X< S+ 0 0 10 -4,-0.8 3,-0.6 -3,-0.7 -2,-0.2 0.972 118.3 30.3 -67.7 -55.6 29.3 6.5 154.0 43 44 A W H >< S+ 0 0 5 -4,-1.7 3,-2.3 1,-0.2 4,-0.3 0.781 102.8 78.3 -76.5 -27.5 32.5 5.2 155.6 44 45 A A H >X>S+ 0 0 4 -4,-2.8 5,-2.3 1,-0.3 3,-1.8 0.780 79.5 72.7 -52.7 -29.3 34.6 8.3 154.8 45 46 A K T <<5S+ 0 0 98 -3,-0.6 3,-0.5 -4,-0.6 -1,-0.3 0.790 81.1 72.5 -59.1 -26.5 32.9 10.1 157.7 46 47 A L T <45S+ 0 0 45 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.766 117.3 18.2 -59.9 -26.5 34.9 7.9 160.2 47 48 A G T <45S- 0 0 40 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.238 106.7-111.0-128.9 12.6 38.0 9.8 159.3 48 49 A G T <5 + 0 0 68 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.831 59.6 176.5 59.8 30.5 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 -0.336 28.8-127.0 -71.2 148.8 38.0 11.7 154.5 50 51 A K - 0 0 77 -3,-0.1 -26,-2.3 -2,-0.1 -27,-1.5 -0.819 19.5-160.8 -97.9 131.1 37.5 13.4 151.2 51 52 A V E -d 24 0B 7 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.961 8.0-170.0-114.9 128.0 36.1 11.4 148.3 52 53 A T E -d 25 0B 0 -28,-3.1 -26,-3.1 -2,-0.5 2,-0.5 -0.961 7.7-163.0-122.8 136.1 36.6 12.7 144.8 53 54 A L E -df 26 169B 0 115,-2.8 117,-3.3 -2,-0.4 2,-0.4 -0.972 6.1-168.2-118.7 125.3 35.0 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 -0.957 7.5 178.0-117.1 132.4 36.5 12.3 138.2 55 56 A E - 0 0 15 115,-3.2 118,-1.9 -2,-0.4 117,-0.4 -0.996 29.0-145.4-133.7 136.2 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,-0.1 0.789 91.6 17.6 -72.9 -24.6 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 0.029 113.1 -55.0-115.4-136.9 32.0 13.0 130.3 58 59 A A >> - 0 0 0 1251,-0.3 4,-1.5 113,-0.2 3,-1.5 -0.966 36.2-142.0-116.4 125.0 28.9 13.7 132.4 59 60 A V T 34 S+ 0 0 6 -2,-0.5 98,-0.1 1,-0.3 -1,-0.1 0.761 92.9 75.4 -55.1 -29.9 27.9 11.2 135.1 60 61 A E T 34 S+ 0 0 55 1,-0.2 -1,-0.3 97,-0.1 97,-0.2 0.854 123.5 1.9 -52.6 -38.2 24.2 11.6 134.4 61 62 A R T <4 S+ 0 0 0 -3,-1.5 -1,-0.2 1248,-0.2 -2,-0.2 0.298 97.2 133.9-133.9 8.4 24.5 9.5 131.2 62 63 A S < + 0 0 1 -4,-1.5 3,-0.4 -33,-0.2 2,-0.1 -0.240 52.7 8.6 -68.6 149.4 28.2 8.4 131.1 63 64 A G S > S- 0 0 9 1,-0.2 3,-1.7 1248,-0.2 173,-0.1 -0.258 111.1 -27.9 87.2-170.7 29.3 4.9 130.3 64 65 A A T 3 S+ 0 0 33 1,-0.3 3,-0.4 171,-0.1 -1,-0.2 0.715 129.5 58.1 -56.1 -26.9 27.7 1.7 129.2 65 66 A V T > + 0 0 10 -3,-0.4 3,-0.7 1,-0.2 88,-0.6 0.204 67.8 118.2 -94.5 18.7 24.3 2.5 130.7 66 67 A A T < S+ 0 0 0 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.858 84.5 34.8 -50.1 -44.6 23.9 5.8 128.7 67 68 A Q T 3 S- 0 0 1 -3,-0.4 -1,-0.3 1,-0.4 2,-0.2 0.600 120.3-113.9 -87.4 -11.6 20.7 4.6 127.0 68 69 A G < - 0 0 1 -3,-0.7 -1,-0.4 296,-0.2 2,-0.3 -0.543 28.8 -96.0 104.5-176.2 19.6 2.7 130.0 69 70 A L E -I 149 0C 38 80,-1.1 80,-0.7 -2,-0.2 83,-0.1 -0.975 9.2-143.1-139.6 152.7 19.3 -1.1 130.4 70 71 A S E S+ 0 0 1 -2,-0.3 77,-2.4 290,-0.2 2,-0.3 0.530 83.3 17.4 -94.5 -6.7 16.3 -3.4 130.0 71 72 A A E -I 146 0C 8 75,-0.3 2,-0.7 78,-0.1 75,-0.2 -0.983 67.4-121.5-157.3 162.1 17.3 -5.8 132.8 72 73 A I E -I 145 0C 0 73,-2.8 73,-2.1 -2,-0.3 3,-0.1 -0.968 27.6-160.1-107.1 111.4 19.5 -6.2 135.8 73 74 A N S S+ 0 0 46 -2,-0.7 2,-0.5 71,-0.2 -1,-0.1 0.584 72.4 54.7 -73.5 -10.9 21.6 -9.2 134.9 74 75 A T + 0 0 0 372,-0.1 2,-0.3 71,-0.1 -1,-0.2 -0.869 56.2 129.7-133.0 103.6 22.6 -10.1 138.5 75 76 A Y - 0 0 0 68,-1.9 37,-0.1 -2,-0.5 -3,-0.0 -0.859 26.9-173.0-148.8 106.5 20.0 -10.7 141.2 76 77 A I - 0 0 0 -2,-0.3 10,-0.5 36,-0.2 -1,-0.1 0.943 23.3-149.2 -66.6 -49.5 20.4 -13.8 143.2 77 78 A D - 0 0 0 8,-0.2 9,-1.8 1,-0.1 -2,-0.0 0.969 20.2-179.5 71.1 86.0 17.1 -13.5 145.2 78 79 A L S S+ 0 0 41 1345,-0.3 7,-0.1 7,-0.2 -1,-0.1 0.435 78.3 35.8 -93.2 -1.3 17.8 -15.1 148.5 79 80 A T S S- 0 0 55 1344,-0.1 -1,-0.1 1346,-0.1 6,-0.1 0.613 113.7 -96.9-124.7 -23.3 14.3 -14.5 149.9 80 81 A G S S+ 0 0 11 4,-0.1 5,-0.1 6,-0.1 -3,-0.0 0.735 71.5 138.1 108.9 30.2 11.8 -14.8 147.1 81 82 A R S S+ 0 0 87 55,-0.1 56,-2.8 3,-0.1 2,-0.2 0.673 71.4 48.8 -77.4 -17.7 11.2 -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 -0.594 103.6 -93.2-113.5 178.1 11.3 -12.5 142.3 83 84 A E S S+ 0 0 106 54,-2.0 2,-0.3 -2,-0.2 55,-0.1 0.630 111.7 38.6 -66.2 -15.3 9.7 -15.3 140.4 84 85 A R - 0 0 126 53,-0.2 2,-0.2 58,-0.1 -1,-0.2 -0.934 68.7-153.7-146.3 123.2 12.7 -17.5 141.1 85 86 A Q - 0 0 111 -2,-0.3 2,-0.3 -3,-0.1 -8,-0.2 -0.601 18.4-175.4 -88.3 151.1 15.0 -17.9 144.2 86 87 A N - 0 0 13 -9,-1.8 2,-0.3 -10,-0.5 -6,-0.1 -0.896 19.9-121.5-139.8 167.9 18.6 -19.1 143.9 87 88 A T > - 0 0 61 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.760 20.5-124.5-110.3 159.5 21.5 -20.0 146.1 88 89 A L H > S+ 0 0 5 -2,-0.3 4,-2.6 1342,-0.2 5,-0.2 0.867 110.9 56.6 -69.6 -36.6 24.9 -18.4 146.2 89 90 A E H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.876 106.7 49.4 -62.6 -38.7 26.6 -21.8 145.7 90 91 A D H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.853 110.6 51.3 -68.7 -34.9 24.7 -22.3 142.5 91 92 A Y H X S+ 0 0 2 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.941 109.6 47.9 -67.2 -47.7 25.6 -18.9 141.3 92 93 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.925 112.9 49.4 -58.6 -44.4 29.4 -19.4 141.9 93 94 A R H X S+ 0 0 42 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.927 109.3 53.7 -58.4 -46.0 29.1 -22.7 140.1 94 95 A Y H X S+ 0 0 35 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.916 111.2 43.9 -55.3 -49.2 27.3 -21.0 137.2 95 96 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.914 112.9 50.0 -67.2 -44.1 30.0 -18.4 136.8 96 97 A T H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 6,-0.4 0.926 113.0 47.5 -61.3 -43.3 33.0 -20.8 137.1 97 98 A L H ><5S+ 0 0 4 -4,-2.6 3,-1.6 -5,-0.2 -1,-0.2 0.863 108.5 53.7 -66.5 -35.8 31.4 -23.1 134.5 98 99 A D H 3<5S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.854 106.3 54.0 -66.9 -30.9 30.7 -20.2 132.1 99 100 A M T ><5S- 0 0 0 -4,-1.8 3,-1.2 -5,-0.1 -1,-0.3 0.268 122.0-112.2 -83.6 12.3 34.4 -19.3 132.4 100 101 A M T < 5S- 0 0 0 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.884 80.6 -41.8 57.4 39.6 35.1 -22.9 131.4 101 102 A G T 3 > - 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