==== 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 2FJB . 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) . 48653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1052 66.5 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 . 112 7.1 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 . 429 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.9 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 1 5 0 2 0 3 3 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 31 0, 0.0 2,-0.4 0, 0.0 1329,-0.4 0.000 360.0 360.0 360.0 138.4 37.6 10.1 110.8 2 3 A Y - 0 0 3 1327,-0.1 1326,-0.1 1326,-0.1 512,-0.1 -0.990 360.0-179.4-130.5 130.0 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 -0.825 21.3-148.4-128.0 90.7 37.5 16.9 110.8 4 5 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.295 10.4-139.6 -60.5 141.2 37.6 19.8 113.4 5 6 A K S S- 0 0 117 1,-0.2 2,-0.3 2,-0.0 1313,-0.0 0.868 83.6 -3.3 -67.9 -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 83.0 -91.5-151.2 161.9 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 -0.443 24.2-175.8 -78.9 150.9 41.7 24.7 115.9 8 9 A E + 0 0 54 554,-2.7 2,-0.4 -2,-0.1 -1,-0.0 -0.717 25.6 169.6-144.5 80.2 41.9 24.7 119.6 9 10 A L + 0 0 42 -2,-0.2 2,-0.3 554,-0.1 553,-0.1 -0.809 12.3 171.2-108.1 142.4 45.7 24.6 120.3 10 11 A Y - 0 0 60 -2,-0.4 2,-0.4 478,-0.2 482,-0.1 -0.993 26.0-134.6-144.2 146.4 47.7 25.0 123.5 11 12 A K >> - 0 0 100 -2,-0.3 3,-2.4 1,-0.1 4,-0.7 -0.821 31.0-116.7 -99.3 142.5 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 0.866 114.2 54.1 -44.4 -47.4 51.9 22.7 127.7 13 14 A D G 34 S+ 0 0 126 1,-0.3 -1,-0.3 472,-0.0 472,-0.0 0.629 104.9 54.5 -66.8 -13.9 53.6 25.8 129.3 14 15 A E G <4 S+ 0 0 125 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.552 90.2 93.8 -94.7 -9.9 50.6 28.0 128.5 15 16 A V S << S- 0 0 3 -3,-1.4 185,-0.1 -4,-0.7 2,-0.1 -0.726 74.5-130.3 -90.3 125.7 48.2 25.7 130.3 16 17 A P - 0 0 71 0, 0.0 185,-2.8 0, 0.0 2,-0.4 -0.425 18.6-134.8 -72.4 146.4 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 -0.854 11.8-159.9-103.9 136.3 47.6 23.5 136.4 18 19 A E E -a 202 0A 60 183,-3.3 185,-2.4 -2,-0.4 2,-0.5 -0.976 8.9-153.5-116.5 121.6 44.9 22.8 139.0 19 20 A V E -a 203 0A 75 -2,-0.5 2,-0.5 183,-0.2 185,-0.2 -0.842 9.1-169.8 -98.8 128.0 46.0 20.7 142.0 20 21 A V E -a 204 0A 5 183,-2.9 185,-2.8 -2,-0.5 2,-0.5 -0.968 4.9-160.4-120.2 118.4 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 -0.863 26.5 147.4-101.1 127.0 44.1 17.1 147.0 22 23 A T - 0 0 9 183,-2.8 185,-0.3 -2,-0.5 3,-0.2 -0.876 47.0-132.3-145.9 175.4 41.8 14.2 148.1 23 24 A D S S+ 0 0 24 27,-1.5 185,-2.1 1,-0.3 184,-1.2 0.828 95.5 27.7-100.0 -49.5 41.9 11.0 150.1 24 25 A I E -de 51 208B 0 26,-2.3 28,-3.2 183,-0.2 2,-0.5 -0.970 69.2-167.7-118.9 120.5 40.1 8.6 147.7 25 26 A L E -de 52 209B 0 183,-2.8 185,-2.9 -2,-0.5 2,-0.6 -0.940 3.0-163.2-109.7 122.7 40.1 9.3 144.0 26 27 A I E -de 53 210B 0 26,-3.2 28,-2.8 -2,-0.5 2,-0.8 -0.928 6.6-154.9-107.1 119.1 37.6 7.4 141.8 27 28 A I E +de 54 211B 6 183,-2.8 185,-2.5 -2,-0.6 28,-0.2 -0.831 67.1 28.8 -98.7 105.8 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 0.298 62.2-143.4 114.1 117.5 35.4 6.9 136.0 29 30 A G + 0 0 0 4,-0.1 33,-0.2 24,-0.1 26,-0.1 -0.248 62.0 112.4-103.8 44.6 31.8 7.8 137.0 30 31 A G S > S- 0 0 13 182,-0.6 4,-2.2 -2,-0.1 5,-0.2 0.121 90.5 -60.8 -91.2-148.9 30.0 4.8 135.4 31 32 A F H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.922 136.5 40.6 -68.3 -43.2 28.2 2.1 137.3 32 33 A S H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 117.2 49.8 -70.6 -42.2 31.2 0.8 139.3 33 34 A G H > S+ 0 0 0 179,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.881 109.7 50.2 -62.8 -40.3 32.5 4.3 140.0 34 35 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.859 108.9 53.2 -66.8 -33.8 29.1 5.5 141.2 35 36 A G H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.2 5,-0.3 0.901 110.5 47.3 -65.9 -39.5 28.9 2.5 143.5 36 37 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.911 112.0 49.2 -67.5 -42.8 32.3 3.4 144.9 37 38 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.919 113.1 48.5 -62.5 -43.2 31.4 7.1 145.3 38 39 A Y H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.961 118.3 36.9 -61.4 -55.7 28.1 6.1 147.1 39 40 A E H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-0.5 0.883 113.1 57.4 -68.1 -39.2 29.7 3.6 149.5 40 41 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.901 101.2 57.0 -58.8 -42.1 32.9 5.6 150.1 41 42 A A H X S+ 0 0 15 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.842 105.0 54.1 -58.0 -34.6 30.9 8.6 151.3 42 43 A Y H >< S+ 0 0 10 -4,-0.9 3,-0.5 -3,-0.5 -1,-0.2 0.965 118.1 30.4 -66.1 -54.4 29.3 6.5 153.9 43 44 A W H >< S+ 0 0 5 -4,-1.6 3,-2.1 1,-0.2 4,-0.3 0.770 103.0 78.4 -78.2 -26.1 32.5 5.2 155.6 44 45 A A H >X>S+ 0 0 5 -4,-2.8 5,-2.3 1,-0.3 3,-1.7 0.773 79.1 72.4 -53.8 -29.8 34.6 8.2 154.8 45 46 A K T <<5S+ 0 0 98 -4,-0.6 3,-0.5 -3,-0.5 -1,-0.3 0.777 80.8 73.3 -58.6 -27.1 32.9 10.1 157.7 46 47 A L T <45S+ 0 0 45 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.778 117.2 17.9 -58.8 -28.0 34.9 7.9 160.2 47 48 A G T <45S- 0 0 40 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.229 106.8-111.9-127.6 12.2 38.0 9.8 159.3 48 49 A G T <5 + 0 0 67 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.831 58.9 176.9 59.0 31.0 36.5 12.9 157.7 49 50 A L < - 0 0 26 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.2 -0.320 28.8-125.9 -70.4 149.0 38.0 11.7 154.5 50 51 A K - 0 0 78 -3,-0.1 -26,-2.3 -2,-0.1 -27,-1.5 -0.819 20.4-160.8 -97.8 131.2 37.5 13.4 151.2 51 52 A V E -d 24 0B 7 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.960 7.6-169.6-115.0 127.6 36.1 11.4 148.3 52 53 A T E -d 25 0B 0 -28,-3.2 -26,-3.2 -2,-0.5 2,-0.5 -0.960 8.1-163.2-122.6 135.3 36.6 12.6 144.7 53 54 A L E -df 26 169B 0 115,-2.8 117,-3.3 -2,-0.4 2,-0.4 -0.966 6.8-168.4-116.7 125.9 35.0 11.3 141.5 54 55 A V E +df 27 170B 1 -28,-2.8 -26,-3.1 -2,-0.5 2,-0.4 -0.959 7.7 177.6-117.7 132.7 36.5 12.3 138.2 55 56 A E - 0 0 16 115,-3.2 118,-1.9 -2,-0.4 117,-0.4 -0.998 29.0-145.8-135.2 136.8 34.6 11.6 134.9 56 57 A K S S+ 0 0 30 -2,-0.4 118,-0.2 116,-0.3 140,-0.1 0.787 91.4 18.6 -73.0 -26.5 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 0.051 112.9 -56.4-113.2-136.3 32.0 13.0 130.3 58 59 A A >> - 0 0 0 1251,-0.3 4,-1.6 113,-0.2 3,-1.5 -0.971 35.7-141.6-118.0 125.7 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 0.760 92.7 76.1 -55.2 -29.4 27.9 11.2 135.1 60 61 A E T 34 S+ 0 0 54 1,-0.2 -1,-0.3 97,-0.1 97,-0.2 0.853 123.9 1.0 -52.4 -37.1 24.1 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 0.305 96.5 135.2-135.4 8.0 24.5 9.5 131.3 62 63 A S < + 0 0 1 -4,-1.6 3,-0.4 -33,-0.2 2,-0.1 -0.234 52.6 8.1 -67.4 148.2 28.2 8.4 131.1 63 64 A G S > S- 0 0 10 1,-0.2 3,-1.7 1248,-0.2 173,-0.1 -0.302 111.0 -26.5 89.4-170.4 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 0.718 129.3 57.1 -56.0 -27.7 27.7 1.6 129.2 65 66 A V T > + 0 0 10 -3,-0.4 88,-0.6 1,-0.2 3,-0.6 0.191 67.4 117.7 -95.6 19.7 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 0.841 84.9 36.5 -52.5 -39.9 23.9 5.8 128.7 67 68 A Q T 3 S- 0 0 0 -3,-0.4 -1,-0.3 1,-0.4 2,-0.2 0.627 119.4-115.2 -88.8 -14.2 20.7 4.5 126.9 68 69 A G < - 0 0 1 -3,-0.6 -1,-0.4 296,-0.2 2,-0.3 -0.541 28.2 -97.4 104.8-176.5 19.6 2.6 130.0 69 70 A L E -I 149 0C 38 80,-1.0 80,-0.7 -2,-0.2 83,-0.1 -0.977 8.3-141.7-140.3 152.3 19.2 -1.2 130.3 70 71 A S E S+ 0 0 1 -2,-0.3 77,-2.3 290,-0.2 2,-0.3 0.518 83.6 14.5 -92.9 -5.5 16.3 -3.5 129.9 71 72 A A E -I 146 0C 9 75,-0.3 2,-0.6 78,-0.1 75,-0.2 -0.982 67.6-119.0-159.6 164.3 17.3 -5.8 132.7 72 73 A I E -I 145 0C 0 73,-2.6 73,-2.0 -2,-0.3 3,-0.1 -0.969 27.6-159.3-108.3 112.5 19.5 -6.3 135.7 73 74 A N S S+ 0 0 45 -2,-0.6 2,-0.5 71,-0.2 -1,-0.1 0.585 72.9 54.0 -73.9 -10.4 21.6 -9.3 134.9 74 75 A T + 0 0 0 372,-0.1 2,-0.3 71,-0.1 70,-0.2 -0.872 56.2 131.1-133.1 104.3 22.6 -10.2 138.4 75 76 A Y - 0 0 0 68,-2.0 37,-0.1 -2,-0.5 -3,-0.0 -0.866 26.1-173.4-148.0 107.3 20.0 -10.8 141.1 76 77 A I - 0 0 0 -2,-0.3 10,-0.5 36,-0.2 -1,-0.1 0.944 22.7-149.8 -68.2 -48.8 20.4 -13.9 143.1 77 78 A D - 0 0 0 8,-0.2 9,-1.9 1,-0.1 -2,-0.0 0.971 19.6-179.2 70.4 85.6 17.1 -13.6 145.1 78 79 A L S S+ 0 0 42 1345,-0.3 7,-0.1 7,-0.2 -1,-0.1 0.401 78.8 35.7 -93.3 1.2 17.8 -15.2 148.5 79 80 A T S S- 0 0 54 1344,-0.1 -1,-0.1 1346,-0.1 6,-0.1 0.608 113.3 -97.4-126.4 -24.7 14.3 -14.6 149.9 80 81 A G S S+ 0 0 11 4,-0.1 5,-0.1 6,-0.1 -3,-0.0 0.742 71.0 138.4 108.7 31.3 11.8 -14.9 147.0 81 82 A R S S+ 0 0 88 55,-0.1 56,-2.7 3,-0.1 2,-0.2 0.681 71.8 48.5 -77.7 -18.5 11.2 -11.3 145.9 82 83 A S B S-k 137 0D 7 54,-0.3 56,-0.2 2,-0.1 3,-0.1 -0.556 103.8 -92.8-112.4-179.8 11.3 -12.6 142.3 83 84 A E S S+ 0 0 107 54,-1.9 2,-0.4 1,-0.2 55,-0.1 0.645 112.0 38.9 -67.6 -15.4 9.7 -15.4 140.4 84 85 A R - 0 0 125 53,-0.2 2,-0.2 58,-0.1 -1,-0.2 -0.927 68.6-154.2-146.5 121.2 12.8 -17.6 141.1 85 86 A Q - 0 0 112 -2,-0.4 2,-0.3 -3,-0.1 -8,-0.2 -0.602 18.8-175.1 -86.8 149.1 15.0 -18.0 144.2 86 87 A N - 0 0 12 -9,-1.9 2,-0.3 -10,-0.5 -6,-0.1 -0.871 19.8-121.8-137.8 169.5 18.6 -19.1 143.9 87 88 A T > - 0 0 60 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.781 20.8-124.6-111.8 158.4 21.5 -20.1 146.1 88 89 A L H > S+ 0 0 4 -2,-0.3 4,-2.5 1342,-0.2 5,-0.2 0.864 110.9 56.4 -68.8 -36.9 25.0 -18.5 146.2 89 90 A E H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 106.4 49.9 -61.5 -42.1 26.7 -21.9 145.6 90 91 A D H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.856 110.6 51.0 -65.9 -34.1 24.7 -22.4 142.4 91 92 A Y H X S+ 0 0 2 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.936 109.7 47.9 -68.9 -46.2 25.7 -18.9 141.2 92 93 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.923 112.8 49.9 -59.4 -43.7 29.4 -19.5 141.9 93 94 A R H X S+ 0 0 42 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.939 109.1 53.2 -57.9 -48.6 29.1 -22.8 140.1 94 95 A Y H X S+ 0 0 32 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.910 111.2 44.7 -53.1 -49.7 27.4 -21.1 137.2 95 96 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.917 113.1 48.9 -66.4 -44.9 30.1 -18.5 136.7 96 97 A T H <>S+ 0 0 1 -4,-2.5 5,-2.8 1,-0.2 6,-0.4 0.911 113.2 48.2 -62.4 -40.6 33.0 -20.8 137.0 97 98 A L H ><5S+ 0 0 3 -4,-2.6 3,-1.5 -5,-0.2 -1,-0.2 0.865 109.1 52.7 -67.8 -35.7 31.4 -23.2 134.5 98 99 A D H 3<5S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.3 54.8 -67.9 -30.5 30.7 -20.3 132.1 99 100 A M T ><5S- 0 0 0 -4,-1.8 3,-1.1 -5,-0.1 -1,-0.3 0.283 121.2-112.5 -83.1 10.3 34.4 -19.4 132.4 100 101 A M T < 5S- 0 0 0 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.899 80.6 -41.6 58.0 41.1 35.2 -22.9 131.3 101 102 A G T 3 > - 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