==== 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 1DHG . 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) . 4132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 63.9 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 . 32 44.4 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 . 6 8.3 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 4 3 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 36 0, 0.0 21,-1.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 146.4 28.5 5.6 30.1 2 2 A N > - 0 0 88 19,-0.2 3,-1.4 1,-0.1 16,-0.2 -0.412 360.0 -91.0 -87.1 157.3 28.9 8.2 32.9 3 3 A E T 3 S+ 0 0 128 1,-0.2 16,-0.2 -2,-0.1 -1,-0.1 -0.390 111.2 20.6 -64.5 133.2 27.2 8.4 36.3 4 4 A G T 3 S+ 0 0 38 14,-2.9 -1,-0.2 1,-0.3 15,-0.1 0.087 90.2 133.6 95.1 -23.6 24.0 10.5 36.3 5 5 A D < - 0 0 31 -3,-1.4 13,-2.5 12,-0.1 2,-0.4 -0.233 48.4-137.9 -61.3 149.5 23.5 10.1 32.5 6 6 A V E -A 17 0A 41 11,-0.2 30,-3.2 -3,-0.1 2,-0.4 -0.932 16.4-166.5-114.4 131.7 20.0 9.3 31.3 7 7 A Y E -AB 16 35A 33 9,-2.6 9,-2.5 -2,-0.4 2,-0.4 -0.945 0.9-164.2-121.4 141.2 19.3 6.8 28.5 8 8 A K E -AB 15 34A 81 26,-2.4 26,-3.2 -2,-0.4 2,-0.7 -0.941 16.1-139.8-123.7 143.8 16.2 6.2 26.5 9 9 A C >> - 0 0 3 5,-2.1 4,-2.5 -2,-0.4 3,-0.9 -0.913 10.8-157.7-101.6 112.1 15.2 3.3 24.3 10 10 A E T 34 S+ 0 0 167 -2,-0.7 -1,-0.1 1,-0.2 23,-0.1 0.663 86.0 60.6 -65.8 -15.2 13.3 4.6 21.3 11 11 A L T 34 S+ 0 0 119 17,-0.2 -1,-0.2 1,-0.1 18,-0.1 0.757 127.8 6.1 -84.2 -28.1 11.6 1.4 20.6 12 12 A C T <4 S- 0 0 43 -3,-0.9 48,-0.3 2,-0.1 -2,-0.2 0.345 95.0-119.8-134.2 0.3 9.6 1.1 23.9 13 13 A G < + 0 0 23 -4,-2.5 2,-0.2 1,-0.2 -3,-0.1 0.620 52.1 159.4 69.7 15.0 10.4 4.3 25.6 14 14 A Q - 0 0 0 -5,-0.4 -5,-2.1 -6,-0.0 2,-0.4 -0.541 22.6-160.8 -71.1 131.9 12.0 2.8 28.7 15 15 A V E -AC 8 57A 17 42,-1.6 41,-2.4 -2,-0.2 42,-2.0 -0.953 10.6-179.3-118.2 136.4 14.2 5.4 30.4 16 16 A V E -AC 7 55A 0 -9,-2.5 -9,-2.6 -2,-0.4 2,-0.4 -0.957 18.2-142.7-134.4 154.3 17.0 4.6 32.9 17 17 A K E -AC 6 54A 90 37,-3.0 37,-3.0 -2,-0.3 2,-0.6 -0.957 25.0-120.2-118.3 132.4 19.5 6.6 35.0 18 18 A V E + C 0 53A 1 -13,-2.5 -14,-2.9 -2,-0.4 35,-0.3 -0.618 33.0 171.1 -77.1 116.3 23.1 5.4 35.5 19 19 A L E S+ 0 0 60 33,-2.2 2,-0.4 -2,-0.6 34,-0.2 0.847 73.8 29.4 -88.8 -41.8 23.8 5.0 39.2 20 20 A E E S- C 0 52A 108 32,-1.9 32,-1.7 -18,-0.1 -1,-0.3 -0.989 88.1-121.7-124.6 124.7 27.2 3.3 38.9 21 21 A E + 0 0 117 -2,-0.4 2,-0.3 30,-0.2 -19,-0.2 -0.349 38.3 170.5 -64.3 140.6 29.5 4.1 35.9 22 22 A G - 0 0 9 -21,-1.0 28,-0.1 2,-0.2 27,-0.0 -0.939 40.4-122.4-146.9 165.5 30.5 1.1 33.8 23 23 A G S S+ 0 0 77 26,-0.3 2,-0.1 -2,-0.3 27,-0.1 0.619 77.6 96.2 -88.4 -14.5 32.3 0.4 30.5 24 24 A G S S- 0 0 8 22,-0.1 2,-0.5 -23,-0.1 -2,-0.2 -0.359 77.2-111.5 -77.4 157.5 29.5 -1.6 28.7 25 25 A T - 0 0 91 -2,-0.1 41,-0.6 1,-0.0 2,-0.4 -0.780 31.5-119.0 -90.8 129.9 27.0 -0.1 26.2 26 26 A L E -F 65 0B 5 -2,-0.5 7,-2.9 39,-0.2 2,-0.3 -0.537 35.9-176.6 -72.8 123.7 23.4 0.1 27.4 27 27 A V E +FG 64 32B 24 37,-3.3 37,-3.3 -2,-0.4 2,-0.3 -0.897 10.5 170.5-121.8 147.8 21.1 -2.0 25.1 28 28 A C E > S+FG 63 31B 0 3,-2.7 3,-2.3 -2,-0.3 -17,-0.2 -0.953 72.0 8.1-155.9 138.7 17.3 -2.4 25.3 29 29 A C T 3 S- 0 0 51 33,-0.7 3,-0.1 -2,-0.3 34,-0.1 0.873 130.9 -64.0 54.4 35.7 14.9 -4.1 22.7 30 30 A G T 3 S+ 0 0 60 32,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.417 118.7 101.4 70.7 -0.9 18.1 -5.2 21.0 31 31 A E E < S-G 28 0B 122 -3,-2.3 -3,-2.7 1,-0.0 -1,-0.2 -0.846 81.7 -98.2-119.3 151.1 19.1 -1.6 20.2 32 32 A D E -G 27 0B 109 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.437 42.9-120.2 -61.9 132.5 21.6 0.8 21.8 33 33 A M - 0 0 13 -7,-2.9 2,-0.4 -2,-0.1 -24,-0.2 -0.476 27.7-118.7 -73.5 148.8 19.9 3.2 24.2 34 34 A V E -B 8 0A 58 -26,-3.2 -26,-2.4 -2,-0.1 2,-0.3 -0.763 18.9-121.9 -93.6 133.0 20.2 6.8 23.3 35 35 A K E B 7 0A 110 -2,-0.4 -28,-0.2 -28,-0.2 -30,-0.0 -0.578 360.0 360.0 -72.3 130.3 21.9 9.2 25.7 36 36 A Q 0 0 146 -30,-3.2 -1,-0.2 -2,-0.3 -29,-0.1 0.766 360.0 360.0 -90.5 360.0 19.5 12.0 26.6 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 35 0, 0.0 21,-1.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 146.3 11.0 -3.8 33.9 39 2 B N > - 0 0 77 19,-0.2 3,-1.4 1,-0.1 16,-0.2 -0.426 360.0 -92.3 -84.0 156.8 9.2 -1.7 36.6 40 3 B E T 3 S+ 0 0 126 1,-0.2 16,-0.2 -2,-0.1 -1,-0.1 -0.388 111.6 21.0 -65.5 133.8 9.8 2.0 37.5 41 4 B G T 3 S+ 0 0 32 14,-2.9 -1,-0.2 1,-0.3 15,-0.1 0.079 90.0 134.1 95.2 -23.7 12.2 2.3 40.4 42 5 B D < - 0 0 32 -3,-1.4 13,-2.6 12,-0.1 2,-0.4 -0.205 48.0-138.6 -59.2 150.9 13.8 -1.1 39.8 43 6 B V E -D 54 0A 39 11,-0.2 30,-3.3 -3,-0.1 2,-0.4 -0.953 16.4-166.5-118.6 131.5 17.6 -1.2 39.8 44 7 B Y E -DE 53 72A 32 9,-2.6 9,-2.6 -2,-0.4 2,-0.4 -0.939 2.4-167.4-120.4 139.9 19.6 -3.3 37.4 45 8 B K E -DE 52 71A 80 26,-2.3 26,-3.3 -2,-0.4 2,-0.7 -0.949 17.0-139.1-126.3 144.1 23.3 -4.3 37.4 46 9 B C >> - 0 0 2 5,-2.0 4,-2.6 -2,-0.4 3,-1.0 -0.922 10.4-155.4-102.6 115.1 25.4 -5.9 34.7 47 10 B E T 34 S+ 0 0 150 -2,-0.7 -1,-0.1 1,-0.2 23,-0.1 0.683 87.3 60.2 -64.5 -18.5 27.7 -8.5 36.3 48 11 B L T 34 S+ 0 0 112 17,-0.2 -1,-0.2 1,-0.1 18,-0.1 0.754 127.5 7.8 -83.3 -26.0 30.3 -8.2 33.5 49 12 B C T <4 S- 0 0 44 -3,-1.0 -26,-0.3 2,-0.1 -2,-0.2 0.379 94.5-122.4-133.2 -2.9 31.2 -4.5 34.0 50 13 B G < + 0 0 25 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.663 51.7 157.9 69.0 17.7 29.3 -3.6 37.2 51 14 B Q - 0 0 0 -5,-0.4 -5,-2.0 -32,-0.0 2,-0.4 -0.578 23.7-160.1 -75.5 134.8 27.3 -0.8 35.7 52 15 B V E -CD 20 45A 19 -32,-1.7 -33,-2.2 -2,-0.3 -32,-1.9 -0.957 10.9-179.6-119.3 138.4 24.2 -0.1 37.7 53 16 B V E -CD 18 44A 0 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.4 -0.954 18.7-140.2-136.0 155.4 21.1 1.7 36.4 54 17 B K E -CD 17 43A 79 -37,-3.0 -37,-3.0 -2,-0.3 2,-0.6 -0.955 25.0-120.0-117.7 133.8 17.7 2.8 37.8 55 18 B V E +C 16 0A 0 -13,-2.6 -14,-2.9 -2,-0.4 -39,-0.3 -0.612 33.2 171.1 -76.1 113.7 14.5 2.6 35.8 56 19 B L E S+ 0 0 59 -41,-2.4 2,-0.4 -2,-0.6 -40,-0.2 0.846 73.6 27.2 -87.7 -43.4 13.0 6.1 35.5 57 20 B E E S-C 15 0A 111 -42,-2.0 -42,-1.6 -18,-0.1 -1,-0.3 -0.992 88.2-120.7-125.9 126.2 10.3 5.2 32.9 58 21 B E + 0 0 108 -2,-0.4 2,-0.3 -44,-0.2 -19,-0.2 -0.352 38.2 169.5 -64.5 140.4 8.8 1.7 32.7 59 22 B G - 0 0 11 -21,-1.0 -46,-0.1 2,-0.2 -47,-0.0 -0.943 40.9-121.4-147.3 166.2 9.1 -0.1 29.4 60 23 B G S S+ 0 0 74 -2,-0.3 2,-0.1 -48,-0.3 -47,-0.1 0.626 77.6 97.2 -88.6 -14.9 8.6 -3.6 27.9 61 24 B G S S- 0 0 8 -52,-0.1 2,-0.4 -23,-0.1 -2,-0.2 -0.372 77.0-112.4 -76.0 156.5 12.1 -4.3 26.6 62 25 B T - 0 0 85 -2,-0.1 -33,-0.7 1,-0.0 2,-0.4 -0.756 31.4-119.4 -90.9 128.7 14.7 -6.3 28.5 63 26 B L E -F 28 0B 5 -2,-0.4 7,-2.9 -35,-0.2 2,-0.3 -0.567 35.7-176.0 -73.4 124.3 17.7 -4.3 29.7 64 27 B V E +FH 27 69B 27 -37,-3.3 -37,-3.3 -2,-0.4 2,-0.3 -0.902 11.1 170.1-122.4 145.9 21.0 -5.6 28.2 65 28 B C E > S+FH 26 68B 0 3,-2.8 3,-2.4 -2,-0.3 -17,-0.2 -0.965 71.2 7.9-155.1 139.8 24.6 -4.5 28.8 66 29 B C T 3 S- 0 0 50 -41,-0.6 3,-0.1 -2,-0.3 -40,-0.1 0.875 130.6 -63.4 55.1 34.3 27.9 -6.1 27.7 67 30 B G T 3 S+ 0 0 64 -42,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.447 118.6 100.5 72.5 -1.8 25.8 -8.4 25.6 68 31 B E E < S-H 65 0B 117 -3,-2.4 -3,-2.8 1,-0.0 -1,-0.2 -0.862 82.1 -97.0-119.7 153.5 24.1 -9.9 28.7 69 32 B D E -H 64 0B 105 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.427 43.7-120.1 -61.8 131.9 20.8 -9.4 30.4 70 33 B M - 0 0 11 -7,-2.9 2,-0.4 -2,-0.1 -24,-0.2 -0.468 28.5-118.4 -73.2 148.9 21.2 -7.0 33.3 71 34 B V E -E 45 0A 53 -26,-3.3 -26,-2.3 -2,-0.1 2,-0.3 -0.787 19.1-120.6 -94.6 131.8 20.2 -8.6 36.7 72 35 B K E E 44 0A 101 -2,-0.4 -28,-0.2 -28,-0.2 -30,-0.0 -0.554 360.0 360.0 -70.2 128.8 17.4 -7.1 38.8 73 36 B Q 0 0 152 -30,-3.3 -1,-0.1 -2,-0.3 -29,-0.1 0.793 360.0 360.0 -86.4 360.0 18.7 -6.0 42.2