==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 20-MAR-99 1DCD . COMPND 2 MOLECULE: PROTEIN (DESULFOREDOXIN); . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR M.ARCHER,A.L.CARVALHO,S.TEIXEIRA,M.J.ROMAO . 72 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 58.3 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 . 5 6.9 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 30 0, 0.0 21,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 159.3 28.4 5.8 30.2 2 2 A N > - 0 0 78 19,-0.1 3,-2.1 1,-0.1 16,-0.3 -0.628 360.0 -88.5 -99.7 155.5 28.8 8.4 33.0 3 3 A E T 3 S+ 0 0 127 1,-0.3 16,-0.2 -2,-0.2 -1,-0.1 -0.311 114.4 19.2 -53.7 131.4 27.3 8.9 36.4 4 4 A G T 3 S+ 0 0 47 14,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.425 91.6 138.6 87.4 -3.1 24.1 10.9 36.2 5 5 A D < - 0 0 30 -3,-2.1 13,-3.2 13,-0.2 2,-0.4 -0.532 43.8-144.2 -75.4 145.7 23.7 10.2 32.5 6 6 A V E -A 17 0A 41 11,-0.2 30,-2.9 -2,-0.2 2,-0.4 -0.949 14.7-168.9-115.6 131.0 20.2 9.5 31.3 7 7 A Y E -AB 16 35A 34 9,-2.7 9,-3.0 -2,-0.4 2,-0.4 -0.957 0.7-167.3-124.3 140.0 19.5 6.9 28.5 8 8 A K E -AB 15 34A 81 26,-2.0 26,-3.1 -2,-0.4 2,-0.5 -0.957 19.2-134.3-129.0 143.7 16.3 6.2 26.5 9 9 A C > - 0 0 5 5,-2.4 4,-1.6 -2,-0.4 24,-0.1 -0.793 10.2-156.3 -91.0 123.6 15.1 3.5 24.2 10 10 A E T 4 S+ 0 0 155 -2,-0.5 -1,-0.1 1,-0.2 23,-0.1 0.588 90.3 53.5 -82.7 -3.3 13.4 4.9 21.1 11 11 A L T 4 S+ 0 0 123 17,-0.1 -1,-0.2 3,-0.1 18,-0.1 0.883 127.4 11.1 -94.0 -44.4 11.4 1.7 20.6 12 12 A C T 4 S- 0 0 43 2,-0.1 48,-0.2 47,-0.0 -2,-0.2 0.477 93.9-120.5-115.5 -5.3 9.7 1.2 24.0 13 13 A G < + 0 0 25 -4,-1.6 -3,-0.1 1,-0.2 2,-0.1 0.506 52.1 161.0 79.4 5.6 10.4 4.5 25.8 14 14 A Q - 0 0 0 -6,-0.1 -5,-2.4 42,-0.0 2,-0.4 -0.401 21.0-162.1 -63.5 132.9 12.3 3.0 28.7 15 15 A V E +AC 8 57A 22 42,-2.5 41,-2.7 -7,-0.2 42,-2.6 -0.991 11.0 177.7-125.4 127.5 14.4 5.6 30.5 16 16 A V E -AC 7 55A 0 -9,-3.0 -9,-2.7 -2,-0.4 2,-0.4 -0.921 19.3-144.9-127.6 156.6 17.3 4.9 32.8 17 17 A K E -AC 6 54A 88 37,-2.1 37,-2.4 -2,-0.3 2,-0.7 -0.960 26.6-119.5-118.3 136.2 19.8 6.9 34.8 18 18 A V E + C 0 53A 1 -13,-3.2 -14,-2.6 -2,-0.4 35,-0.3 -0.626 32.6 173.0 -78.1 117.2 23.4 5.7 35.3 19 19 A L E S+ 0 0 67 33,-2.7 2,-0.4 -2,-0.7 34,-0.2 0.873 74.1 21.6 -86.4 -41.6 24.0 5.2 39.0 20 20 A E E S- C 0 52A 100 32,-2.1 32,-2.1 -18,-0.1 -1,-0.3 -0.995 86.5-122.8-131.4 128.3 27.5 3.6 38.7 21 21 A E + 0 0 105 -2,-0.4 2,-0.2 30,-0.2 -19,-0.1 -0.453 34.6 163.7 -80.5 142.3 29.6 4.0 35.6 22 22 A G - 0 0 14 -21,-0.5 28,-0.1 2,-0.2 27,-0.0 -0.785 45.0-111.7-137.8 174.3 30.9 1.1 33.5 23 23 A G S S+ 0 0 76 -2,-0.2 -2,-0.0 26,-0.1 27,-0.0 0.516 79.2 104.7 -92.3 -9.5 32.4 0.6 30.1 24 24 A G S S- 0 0 10 -23,-0.1 2,-0.5 1,-0.1 -2,-0.2 -0.316 73.1-116.1 -74.8 159.7 29.6 -1.3 28.5 25 25 A T - 0 0 84 -2,-0.0 41,-0.5 1,-0.0 42,-0.3 -0.824 30.6-122.5 -93.3 125.8 27.1 0.1 26.0 26 26 A L - 0 0 6 -2,-0.5 7,-2.7 39,-0.1 2,-0.3 -0.496 33.0-171.7 -72.2 132.8 23.5 0.1 27.4 27 27 A V E +FG 32 64B 25 37,-3.6 37,-3.6 5,-0.3 2,-0.3 -0.948 12.6 175.1-126.5 143.8 21.1 -1.8 25.2 28 28 A C E > S+FG 31 63B 0 3,-2.7 3,-2.3 -2,-0.3 35,-0.1 -0.984 76.2 7.6-148.0 139.5 17.3 -2.1 25.2 29 29 A C T 3 S- 0 0 56 33,-0.5 3,-0.1 -2,-0.3 34,-0.1 0.836 131.1 -66.8 52.5 33.7 15.0 -3.9 22.7 30 30 A G T 3 S+ 0 0 58 32,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.544 117.0 106.9 63.9 14.5 18.3 -5.1 21.3 31 31 A E E < S-F 28 0B 119 -3,-2.3 -3,-2.7 1,-0.0 -1,-0.2 -0.900 81.3 -96.0-119.7 151.6 19.2 -1.5 20.2 32 32 A D E -F 27 0B 106 -2,-0.3 -5,-0.3 -5,-0.2 -24,-0.1 -0.407 43.8-119.9 -62.2 130.2 21.7 0.9 21.7 33 33 A M - 0 0 13 -7,-2.7 2,-0.5 -2,-0.1 -24,-0.2 -0.373 28.1-115.8 -69.4 155.0 20.0 3.3 24.1 34 34 A V E -B 8 0A 49 -26,-3.1 -26,-2.0 -2,-0.0 2,-0.5 -0.831 20.0-121.4 -97.4 126.8 20.2 7.0 23.2 35 35 A K E B 7 0A 118 -2,-0.5 -28,-0.2 -28,-0.2 -1,-0.0 -0.487 360.0 360.0 -65.1 116.3 22.1 9.4 25.4 36 36 A Q 0 0 143 -30,-2.9 -1,-0.2 -2,-0.5 -29,-0.1 0.857 360.0 360.0 -76.4 360.0 19.6 12.1 26.5 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 32 0, 0.0 21,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 177.2 11.7 -3.8 34.1 39 2 B N > - 0 0 79 19,-0.1 3,-1.6 1,-0.1 16,-0.2 -0.783 360.0 -85.2-122.6 165.5 9.9 -1.4 36.5 40 3 B E T 3 S+ 0 0 112 -2,-0.3 16,-0.2 1,-0.3 3,-0.1 -0.404 114.8 18.1 -62.6 134.5 10.2 2.2 37.8 41 4 B G T 3 S+ 0 0 32 14,-3.0 -1,-0.3 1,-0.3 15,-0.1 0.275 93.5 138.5 87.1 -11.8 12.6 2.5 40.7 42 5 B D < - 0 0 46 -3,-1.6 13,-3.7 13,-0.2 2,-0.5 -0.392 44.8-144.9 -69.5 142.7 14.2 -0.8 39.7 43 6 B V E -D 54 0A 41 11,-0.2 30,-3.6 -3,-0.1 2,-0.3 -0.951 16.0-168.8-115.9 123.7 18.0 -0.9 39.9 44 7 B Y E -DE 53 72A 35 9,-3.0 9,-2.8 -2,-0.5 2,-0.3 -0.865 1.6-164.8-117.5 147.6 19.9 -3.0 37.4 45 8 B K E -DE 52 71A 81 26,-1.8 26,-3.5 -2,-0.3 2,-0.5 -0.965 19.3-131.2-133.0 145.6 23.6 -4.1 37.3 46 9 B C > - 0 0 2 5,-2.7 4,-2.3 -2,-0.3 24,-0.1 -0.836 10.4-162.6 -94.7 123.6 26.0 -5.5 34.7 47 10 B E T 4 S+ 0 0 149 -2,-0.5 -1,-0.1 22,-0.3 23,-0.1 0.690 90.5 54.2 -81.0 -14.4 27.9 -8.5 36.1 48 11 B L T 4 S+ 0 0 106 17,-0.1 -1,-0.2 3,-0.1 18,-0.1 0.925 131.4 6.5 -83.1 -45.4 30.5 -8.1 33.3 49 12 B C T 4 S- 0 0 46 2,-0.1 -2,-0.2 16,-0.0 -26,-0.1 0.528 92.4-120.9-119.7 -6.0 31.4 -4.5 34.0 50 13 B G < + 0 0 27 -4,-2.3 2,-0.2 1,-0.2 -3,-0.1 0.671 52.5 158.7 75.1 16.2 29.6 -3.5 37.2 51 14 B Q - 0 0 0 -5,-0.1 -5,-2.7 -32,-0.0 2,-0.4 -0.557 23.2-159.6 -71.1 139.0 27.6 -0.7 35.5 52 15 B V E -CD 20 45A 20 -32,-2.1 -33,-2.7 -7,-0.2 -32,-2.1 -0.993 11.6-179.9-127.4 132.2 24.4 0.2 37.6 53 16 B V E -CD 18 44A 0 -9,-2.8 -9,-3.0 -2,-0.4 2,-0.5 -0.954 20.3-140.1-130.9 152.6 21.3 2.0 36.4 54 17 B K E -CD 17 43A 84 -37,-2.4 -37,-2.1 -2,-0.3 2,-0.6 -0.906 28.3-119.8-106.0 132.2 18.0 3.0 38.0 55 18 B V E +C 16 0A 0 -13,-3.7 -14,-3.0 -2,-0.5 -39,-0.3 -0.586 36.0 169.7 -74.9 118.3 14.8 2.7 35.9 56 19 B L E S+ 0 0 61 -41,-2.7 2,-0.4 -2,-0.6 -40,-0.2 0.826 73.5 24.2 -92.8 -43.2 13.3 6.2 35.6 57 20 B E E S-C 15 0A 100 -42,-2.6 -42,-2.5 -18,-0.1 -1,-0.3 -0.983 84.4-133.3-129.2 120.7 10.7 5.3 33.0 58 21 B E + 0 0 98 -2,-0.4 2,-0.3 -44,-0.2 -19,-0.1 -0.346 32.6 158.8 -76.5 149.2 9.4 1.7 32.7 59 22 B G - 0 0 13 -21,-0.5 -46,-0.1 2,-0.2 -47,-0.0 -0.932 49.3-104.0-159.9 166.6 9.0 -0.1 29.3 60 23 B G S S+ 0 0 78 -2,-0.3 2,-0.1 -48,-0.2 -47,-0.1 0.495 80.0 108.1 -87.0 -0.6 8.8 -3.6 28.1 61 24 B G S S- 0 0 7 1,-0.1 2,-0.5 -23,-0.1 -2,-0.2 -0.400 72.1-116.6 -75.9 156.1 12.3 -4.0 26.8 62 25 B T - 0 0 84 -2,-0.1 -33,-0.5 1,-0.0 -32,-0.4 -0.795 30.5-122.6 -91.2 124.7 15.0 -6.1 28.5 63 26 B L E -G 28 0B 3 -2,-0.5 7,-2.2 -35,-0.1 2,-0.4 -0.506 34.6-171.2 -75.3 132.0 17.9 -4.0 29.7 64 27 B V E +GH 27 69B 25 -37,-3.6 -37,-3.6 -2,-0.2 2,-0.3 -0.962 16.0 170.4-130.0 143.1 21.2 -5.2 28.2 65 28 B C E > S+ H 0 68B 0 3,-2.3 3,-2.2 -2,-0.4 -17,-0.1 -0.988 74.3 5.3-147.7 140.5 24.9 -4.4 28.8 66 29 B C T 3 S- 0 0 54 -41,-0.5 3,-0.1 -2,-0.3 -40,-0.1 0.849 126.6 -68.1 50.2 36.8 28.0 -6.1 27.5 67 30 B G T 3 S+ 0 0 61 -42,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.641 117.1 101.2 60.6 17.6 25.7 -8.3 25.5 68 31 B E E < S-H 65 0B 121 -3,-2.2 -3,-2.3 0, 0.0 -1,-0.2 -0.966 84.6 -91.4-125.3 154.3 24.3 -10.0 28.6 69 32 B D E -H 64 0B 105 -2,-0.3 -22,-0.3 -5,-0.2 -5,-0.2 -0.363 42.5-122.0 -60.7 127.5 21.1 -9.4 30.5 70 33 B M - 0 0 11 -7,-2.2 2,-0.5 -2,-0.1 -24,-0.2 -0.366 29.5-118.9 -67.8 154.2 21.5 -6.8 33.3 71 34 B V E -E 45 0A 46 -26,-3.5 -26,-1.8 -2,-0.0 2,-0.1 -0.876 16.3-123.4-107.0 125.4 20.6 -8.2 36.7 72 35 B K E E 44 0A 124 -2,-0.5 -28,-0.2 -28,-0.2 -30,-0.0 -0.362 360.0 360.0 -63.1 134.9 17.8 -6.7 38.8 73 36 B Q 0 0 144 -30,-3.6 -1,-0.1 -2,-0.1 -29,-0.1 0.942 360.0 360.0 -81.0 360.0 19.2 -5.7 42.1