==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-MAR-99 1CFW . COMPND 2 MOLECULE: PROTEIN (DESULFOREDOXIN); . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR M.ARCHER,A.L.CARVALHO,S.TEIXEIRA,I.MOURA,J.J.G.MOURA, . 72 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 43.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.8 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 . 2 2.8 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 . 4 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 5 2 0 1 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 1 0 1 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 1 A A 0 0 26 0, 0.0 21,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 158.6 4.3 30.8 16.2 2 2 A N > - 0 0 89 19,-0.2 3,-2.8 1,-0.1 16,-0.3 -0.566 360.0-104.0 -84.5 137.8 7.8 30.3 15.0 3 3 A E T 3 S+ 0 0 136 -2,-0.3 16,-0.2 1,-0.3 -1,-0.1 -0.280 111.2 26.5 -56.1 132.7 8.7 28.2 12.0 4 4 A G T 3 S+ 0 0 43 14,-2.6 -1,-0.3 1,-0.3 15,-0.1 0.087 91.8 130.4 94.2 -22.9 10.0 24.9 13.2 5 5 A D < - 0 0 30 -3,-2.8 13,-2.4 13,-0.1 2,-0.4 -0.256 49.4-143.2 -61.5 151.8 8.1 25.1 16.5 6 6 A V E -A 17 0A 39 11,-0.2 30,-3.7 -3,-0.1 2,-0.4 -0.951 14.9-165.2-119.6 132.9 6.1 22.0 17.5 7 7 A Y E -AB 16 35A 41 9,-2.7 9,-2.4 -2,-0.4 2,-0.4 -0.951 0.9-160.2-120.9 143.0 2.7 22.5 19.3 8 8 A K E -AB 15 34A 71 26,-2.5 26,-3.0 -2,-0.4 2,-0.7 -0.956 18.2-136.0-126.1 141.1 0.7 19.9 21.2 9 9 A C > - 0 0 1 5,-3.0 4,-1.9 -2,-0.4 24,-0.1 -0.817 14.7-158.9 -88.1 116.9 -2.9 19.6 22.3 10 10 A E T 4 S+ 0 0 96 -2,-0.7 -1,-0.2 22,-0.3 19,-0.1 0.762 87.6 47.0 -67.0 -24.5 -2.8 18.4 25.9 11 11 A L T 4 S+ 0 0 109 17,-0.2 -1,-0.2 1,-0.1 18,-0.1 0.911 126.1 19.4 -90.4 -41.4 -6.4 17.1 25.7 12 12 A C T 4 S- 0 0 41 2,-0.1 48,-0.3 16,-0.1 -2,-0.2 0.583 95.7-121.7-108.8 -8.1 -6.5 15.1 22.4 13 13 A G < + 0 0 30 -4,-1.9 -3,-0.1 1,-0.3 46,-0.1 0.360 54.0 155.5 87.9 -3.9 -2.8 14.5 21.8 14 14 A Q - 0 0 0 -6,-0.1 -5,-3.0 42,-0.1 2,-0.4 -0.395 22.9-165.3 -62.8 135.0 -2.7 16.2 18.4 15 15 A V E +AC 8 57A 17 42,-2.1 41,-3.3 -7,-0.2 42,-1.6 -0.974 8.7 178.3-124.1 130.2 0.8 17.4 17.5 16 16 A V E -AC 7 55A 0 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.4 -0.958 19.6-142.7-131.9 154.3 1.6 19.9 14.7 17 17 A K E -AC 6 54A 92 37,-2.8 37,-2.5 -2,-0.3 2,-0.6 -0.925 25.2-121.6-114.1 138.1 4.7 21.5 13.3 18 18 A V E + C 0 53A 1 -13,-2.4 -14,-2.6 -2,-0.4 35,-0.3 -0.730 30.8 173.7 -81.2 118.2 4.7 25.1 12.1 19 19 A L E S+ 0 0 76 33,-3.6 2,-0.4 -2,-0.6 34,-0.2 0.695 75.8 23.7 -94.0 -27.6 5.8 25.3 8.5 20 20 A E E S- C 0 52A 111 32,-1.8 32,-2.2 -18,-0.1 -1,-0.3 -0.956 85.9-124.7-141.9 119.5 5.0 29.0 8.1 21 21 A E + 0 0 118 -2,-0.4 2,-0.3 30,-0.2 -19,-0.2 -0.323 34.3 164.4 -68.9 139.3 4.9 31.5 11.0 22 22 A G - 0 0 8 -21,-0.5 28,-0.1 2,-0.2 27,-0.0 -0.960 42.1-121.0-141.2 159.4 1.8 33.5 11.6 23 23 A G S S+ 0 0 77 -2,-0.3 -21,-0.1 26,-0.3 27,-0.1 0.549 73.1 111.8 -91.6 6.4 1.0 35.4 14.7 24 24 A G S S- 0 0 15 -23,-0.1 2,-0.5 1,-0.1 -2,-0.2 -0.393 72.5-109.3 -72.1 159.7 -2.3 33.7 15.5 25 25 A T - 0 0 81 -2,-0.1 41,-0.4 1,-0.0 42,-0.3 -0.732 28.4-127.1 -89.1 123.3 -2.7 31.4 18.5 26 26 A L - 0 0 8 -2,-0.5 7,-2.7 39,-0.1 2,-0.4 -0.586 30.9-171.4 -76.6 130.6 -3.1 27.7 17.7 27 27 A V E +FG 32 64B 29 37,-2.7 37,-2.6 -2,-0.3 2,-0.3 -0.961 13.5 169.8-126.8 138.4 -6.2 26.2 19.4 28 28 A C E > S+FG 31 63B 0 3,-2.3 3,-1.5 -2,-0.4 -17,-0.2 -0.977 71.7 6.9-147.5 136.2 -7.4 22.6 19.6 29 29 A C T 3 S- 0 0 53 33,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.887 130.0 -63.0 62.3 36.5 -10.2 21.1 21.8 30 30 A G T 3 S+ 0 0 76 32,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.671 119.1 98.7 57.7 24.2 -11.1 24.7 22.7 31 31 A E E < S-F 28 0B 71 -3,-1.5 -3,-2.3 0, 0.0 2,-0.2 -0.970 82.5 -95.3-137.9 152.6 -7.7 25.3 24.4 32 32 A D E -F 27 0B 98 -2,-0.3 -5,-0.3 -5,-0.2 -22,-0.3 -0.468 44.0-119.4 -63.9 134.9 -4.5 26.9 23.4 33 33 A M - 0 0 13 -7,-2.7 2,-0.5 -2,-0.2 -24,-0.2 -0.314 26.8-121.3 -65.8 154.3 -2.0 24.4 22.1 34 34 A V E -B 8 0A 59 -26,-3.0 -26,-2.5 -2,-0.0 2,-0.1 -0.804 16.5-123.7-106.5 126.3 1.3 24.1 24.1 35 35 A K E B 7 0A 116 -2,-0.5 -28,-0.3 -28,-0.2 -30,-0.0 -0.429 360.0 360.0 -66.5 135.7 4.7 24.7 22.5 36 36 A Q 0 0 138 -30,-3.7 -1,-0.2 -2,-0.1 -29,-0.1 0.774 360.0 360.0 -93.0 360.0 6.9 21.7 22.9 37 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 1 B A 0 0 21 0, 0.0 21,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 169.6 -6.8 15.8 11.7 39 2 B N > - 0 0 85 19,-0.2 3,-2.4 1,-0.1 16,-0.3 -0.703 360.0 -90.8-105.3 149.4 -4.7 13.2 10.1 40 3 B E T 3 S+ 0 0 116 -2,-0.3 16,-0.2 1,-0.3 -1,-0.1 -0.091 112.4 20.4 -53.5 127.3 -0.9 12.7 10.0 41 4 B G T 3 S+ 0 0 39 14,-3.1 -1,-0.3 1,-0.4 15,-0.1 0.281 91.4 136.4 96.2 -17.2 0.8 14.4 7.1 42 5 B D < - 0 0 35 -3,-2.4 13,-2.7 13,-0.1 2,-0.4 -0.415 45.5-144.1 -67.1 147.0 -2.1 16.8 6.6 43 6 B V E -D 54 0A 43 30,-0.5 30,-3.4 11,-0.2 2,-0.4 -0.931 16.4-171.4-113.8 130.9 -1.4 20.4 6.0 44 7 B Y E -DE 53 72A 38 9,-2.6 9,-2.4 -2,-0.4 2,-0.4 -0.938 3.8-160.9-125.8 141.6 -3.6 23.2 7.3 45 8 B K E -DE 52 71A 62 26,-2.6 26,-3.4 -2,-0.4 2,-0.7 -0.965 17.7-139.4-126.1 140.5 -3.6 26.9 6.7 46 9 B C > - 0 0 4 5,-2.9 4,-1.7 -2,-0.4 5,-0.2 -0.880 15.1-160.6 -89.7 117.5 -5.0 29.9 8.6 47 10 B E T 4 S+ 0 0 109 -2,-0.7 -1,-0.1 1,-0.2 19,-0.1 0.688 85.6 54.3 -74.7 -16.5 -6.4 32.1 5.8 48 11 B L T 4 S+ 0 0 104 17,-0.2 -1,-0.2 1,-0.1 18,-0.1 0.946 125.0 14.7 -82.3 -52.9 -6.4 35.1 8.2 49 12 B C T 4 S- 0 0 43 2,-0.1 -26,-0.3 -27,-0.0 -2,-0.2 0.458 98.0-120.6-106.0 -5.4 -2.8 35.2 9.4 50 13 B G < + 0 0 27 -4,-1.7 -3,-0.1 1,-0.3 2,-0.1 0.526 55.0 157.9 83.8 2.7 -1.2 32.9 6.9 51 14 B Q - 0 0 0 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.4 -0.448 22.4-162.9 -67.5 139.9 0.0 30.4 9.5 52 15 B V E -CD 20 45A 24 -32,-2.2 -33,-3.6 -7,-0.2 -32,-1.8 -0.978 9.2-180.0-128.9 127.4 0.7 26.9 8.1 53 16 B V E -CD 18 44A 0 -9,-2.4 -9,-2.6 -2,-0.4 2,-0.4 -0.911 17.9-145.0-124.6 153.1 1.0 23.7 10.2 54 17 B K E -CD 17 43A 86 -37,-2.5 -37,-2.8 -2,-0.3 2,-0.4 -0.976 25.4-121.1-114.5 133.1 1.6 20.1 9.4 55 18 B V E +C 16 0A 1 -13,-2.7 -14,-3.1 -2,-0.4 -39,-0.3 -0.612 33.4 169.8 -74.9 119.8 0.0 17.3 11.5 56 19 B L E S+ 0 0 75 -41,-3.3 2,-0.3 -2,-0.4 -40,-0.2 0.712 74.6 21.5 -98.7 -31.3 2.6 15.0 13.1 57 20 B E E S-C 15 0A 111 -42,-1.6 -42,-2.1 -18,-0.1 -1,-0.4 -0.976 84.6-126.8-140.5 119.7 0.3 13.1 15.4 58 21 B E + 0 0 96 -2,-0.3 2,-0.3 -44,-0.2 -19,-0.2 -0.234 31.6 167.1 -62.2 156.1 -3.4 12.9 14.8 59 22 B G - 0 0 11 -21,-0.8 -46,-0.1 2,-0.2 -47,-0.1 -0.929 42.1-113.8-160.5 162.5 -6.0 13.8 17.5 60 23 B G S S+ 0 0 77 -48,-0.3 -47,-0.1 -2,-0.3 -31,-0.1 0.571 79.1 101.9 -85.6 -7.2 -9.7 14.4 17.2 61 24 B G S S- 0 0 11 1,-0.1 2,-0.4 -23,-0.1 -2,-0.2 -0.271 76.3-111.8 -72.4 163.9 -9.9 18.1 18.0 62 25 B T - 0 0 87 -24,-0.0 -33,-0.5 7,-0.0 2,-0.4 -0.798 28.7-123.8 -92.8 129.8 -10.4 20.7 15.2 63 26 B L E -G 28 0B 6 -2,-0.4 7,-2.4 -35,-0.1 2,-0.4 -0.640 34.5-176.0 -75.7 131.0 -7.4 22.9 14.6 64 27 B V E +GH 27 69B 29 -37,-2.6 -37,-2.7 -2,-0.4 2,-0.3 -0.990 12.3 175.7-130.6 141.0 -8.3 26.6 14.9 65 28 B C E > S+ H 0 68B 0 3,-2.5 3,-2.6 -2,-0.4 -17,-0.2 -0.989 71.6 7.6-142.7 146.2 -6.3 29.8 14.4 66 29 B C T 3 S- 0 0 51 -41,-0.4 -1,-0.1 -2,-0.3 3,-0.1 0.868 130.8 -61.9 50.2 38.3 -7.4 33.5 14.5 67 30 B G T 3 S+ 0 0 75 -42,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.464 118.5 98.0 72.8 -0.1 -10.7 32.2 15.8 68 31 B E E < S-H 65 0B 93 -3,-2.6 -3,-2.5 3,-0.0 -1,-0.2 -0.916 83.5 -94.7-120.2 157.1 -11.5 30.2 12.7 69 32 B D E -H 64 0B 105 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.368 48.6-116.5 -56.7 130.2 -11.2 26.6 11.6 70 33 B M - 0 0 13 -7,-2.4 2,-0.5 -24,-0.1 -24,-0.2 -0.389 29.0-117.1 -69.1 154.6 -7.9 26.1 9.8 71 34 B V E -E 45 0A 54 -26,-3.4 -26,-2.6 -2,-0.1 2,-0.2 -0.784 18.5-128.6-107.0 125.2 -8.2 25.1 6.2 72 35 B K E E 44 0A 122 -2,-0.5 -28,-0.3 -28,-0.2 -30,-0.0 -0.514 360.0 360.0 -72.4 137.6 -6.9 21.8 5.0 73 36 B Q 0 0 151 -30,-3.4 -30,-0.5 -2,-0.2 -1,-0.1 -0.718 360.0 360.0 -99.0 360.0 -4.6 22.1 1.9