==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 07-OCT-11 2LK6 . COMPND 2 MOLECULE: DESULFOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR B.J.GOODFELLOW,F.RUSNAK,I.MOURA,T.DOMKE,J.J.G.MOURA . 72 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3778.0 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 . 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 . 8 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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+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 . 1 4 0 2 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 34 0, 0.0 5,-0.1 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 -54.4 2.1 0.0 -1.2 2 2 A N - 0 0 110 20,-0.2 16,-0.1 3,-0.1 18,-0.1 0.634 360.0 -74.3 67.2 130.6 0.2 -2.8 -2.9 3 3 A E S S+ 0 0 95 1,-0.2 16,-0.2 16,-0.1 3,-0.1 0.107 113.5 52.3 -46.1 167.3 1.9 -4.9 -5.5 4 4 A G S S+ 0 0 61 14,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.906 88.2 119.8 65.6 44.1 2.4 -3.5 -9.0 5 5 A D E -A 18 0A 45 13,-0.8 13,-1.5 2,-0.0 2,-0.3 -0.851 51.7-140.7-133.3 168.1 4.1 -0.4 -7.6 6 6 A V E -A 17 0A 40 -2,-0.3 30,-2.0 11,-0.3 2,-0.4 -0.978 5.7-158.0-134.0 146.0 7.5 1.3 -7.9 7 7 A Y E -AB 16 35A 16 9,-2.6 9,-2.1 -2,-0.3 2,-0.4 -0.980 7.0-171.2-129.8 120.6 9.6 3.1 -5.3 8 8 A K E -AB 15 34A 64 26,-2.2 26,-2.3 -2,-0.4 2,-0.3 -0.927 21.6-129.1-113.2 133.3 12.3 5.7 -6.2 9 9 A C - 0 0 2 5,-1.6 24,-0.1 -2,-0.4 23,-0.1 -0.594 4.9-147.4 -80.3 139.0 14.7 7.0 -3.6 10 10 A E S S+ 0 0 131 -2,-0.3 -1,-0.1 18,-0.2 22,-0.1 -0.038 94.1 43.7 -94.7 29.6 15.0 10.8 -3.5 11 11 A L S S+ 0 0 111 20,-0.1 -1,-0.1 3,-0.1 18,-0.1 0.520 130.7 9.7-131.9 -65.6 18.7 10.5 -2.6 12 12 A C S S- 0 0 48 2,-0.1 -2,-0.1 16,-0.0 17,-0.0 0.861 96.0-120.8 -88.7 -43.9 20.5 7.9 -4.7 13 13 A G + 0 0 19 1,-0.2 2,-0.4 44,-0.0 -3,-0.1 0.686 46.3 169.3 106.3 29.7 17.7 7.4 -7.2 14 14 A Q - 0 0 0 48,-0.1 -5,-1.6 41,-0.0 2,-0.5 -0.628 16.9-159.9 -78.1 124.8 17.2 3.7 -6.6 15 15 A V E +AC 8 57A 18 42,-2.2 42,-2.2 -2,-0.4 41,-2.0 -0.926 13.2 175.4-110.4 127.1 14.0 2.4 -8.3 16 16 A V E -AC 7 55A 0 -9,-2.1 -9,-2.6 -2,-0.5 2,-0.7 -0.997 24.7-138.1-133.7 135.5 12.5 -0.9 -7.2 17 17 A K E -AC 6 54A 81 37,-3.1 37,-3.1 -2,-0.4 -11,-0.3 -0.838 25.6-126.3 -96.3 115.1 9.2 -2.5 -8.3 18 18 A V E +AC 5 53A 0 -13,-1.5 -14,-1.3 -2,-0.7 -13,-0.8 -0.418 31.6 174.4 -61.8 123.8 7.3 -3.9 -5.4 19 19 A L E S+ 0 0 50 33,-2.5 2,-0.3 1,-0.2 34,-0.2 0.737 76.4 24.6-100.2 -33.6 6.5 -7.6 -6.2 20 20 A E E S- C 0 52A 96 32,-3.0 32,-1.7 -17,-0.1 -1,-0.2 -0.808 84.6-139.0-138.2 94.0 4.9 -8.4 -2.9 21 21 A E - 0 0 86 -2,-0.3 2,-0.3 -3,-0.2 31,-0.2 0.103 27.4-178.9 -43.3 163.5 3.4 -5.6 -0.9 22 22 A G - 0 0 23 2,-0.2 2,-1.9 29,-0.1 -20,-0.2 -0.980 42.4 -96.2-164.5 162.3 4.0 -5.5 2.8 23 23 A G S S+ 0 0 74 -2,-0.3 2,-0.3 -22,-0.1 -2,-0.0 -0.410 95.1 71.3 -84.0 60.6 3.2 -3.6 6.0 24 24 A G S S- 0 0 18 -2,-1.9 2,-0.3 41,-0.1 -2,-0.2 -0.931 71.4-116.5-159.0 178.2 6.5 -1.7 5.9 25 25 A T - 0 0 61 -2,-0.3 2,-0.9 39,-0.1 41,-0.2 -0.865 20.1-123.2-126.5 160.4 8.5 1.0 4.2 26 26 A L - 0 0 0 -2,-0.3 7,-2.4 7,-0.2 2,-0.9 -0.725 29.3-169.5-105.0 80.6 11.7 1.1 2.2 27 27 A V E +FG 32 64B 48 37,-2.7 37,-2.9 -2,-0.9 2,-0.4 -0.616 14.0 172.8 -74.6 106.5 13.8 3.6 4.1 28 28 A C E > +F 31 0B 0 3,-2.4 3,-1.3 -2,-0.9 -18,-0.2 -0.958 64.8 3.4-120.2 136.2 16.8 4.3 1.9 29 29 A C T 3 S- 0 0 52 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.811 132.0 -62.5 61.5 29.9 19.4 6.9 2.5 30 30 A G T 3 S+ 0 0 73 -3,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.759 121.4 105.9 66.1 25.8 17.5 7.6 5.7 31 31 A E E < S-F 28 0B 68 -3,-1.3 -3,-2.4 -5,-0.1 2,-0.4 -0.977 79.2-115.7-141.8 124.2 14.5 8.6 3.6 32 32 A D E -F 27 0B 96 -2,-0.4 -5,-0.3 -5,-0.3 -22,-0.1 -0.416 45.2-112.6 -59.8 111.9 11.4 6.6 3.1 33 33 A M - 0 0 4 -7,-2.4 -24,-0.2 -2,-0.4 2,-0.2 -0.034 31.3-125.5 -45.2 147.6 11.4 5.9 -0.7 34 34 A V E -B 8 0A 42 -26,-2.3 -26,-2.2 -3,-0.1 2,-0.2 -0.588 20.2-108.3 -97.7 161.5 8.7 7.6 -2.7 35 35 A K E B 7 0A 87 -28,-0.2 -28,-0.2 -2,-0.2 -1,-0.1 -0.622 360.0 360.0 -89.8 148.9 6.2 6.0 -5.0 36 36 A Q 0 0 129 -30,-2.0 -1,-0.1 -2,-0.2 -29,-0.1 0.528 360.0 360.0-117.6 360.0 6.4 6.4 -8.7 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 38 0, 0.0 2,-0.2 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 -66.5 22.4 -2.3 -5.0 39 2 B N - 0 0 97 18,-0.0 16,-0.2 0, 0.0 3,-0.1 -0.670 360.0-109.6-174.1 112.9 22.3 -4.1 -8.3 40 3 B E S S+ 0 0 113 1,-0.2 16,-0.2 -2,-0.2 3,-0.1 0.027 103.6 36.7 -42.1 151.6 19.7 -4.0 -11.0 41 4 B G S S+ 0 0 57 14,-1.8 2,-0.2 1,-0.3 -1,-0.2 0.824 94.3 129.6 68.6 32.9 17.8 -7.3 -11.5 42 5 B D E -D 55 0A 24 13,-1.0 13,-1.5 -3,-0.1 2,-0.4 -0.700 48.3-143.0-114.3 167.4 17.9 -7.9 -7.7 43 6 B V E -D 54 0A 38 11,-0.3 30,-2.2 -2,-0.2 2,-0.5 -0.999 7.8-164.2-136.0 133.6 15.2 -8.7 -5.2 44 7 B Y E -DE 53 72A 30 9,-2.8 9,-2.2 -2,-0.4 2,-0.4 -0.975 5.5-172.2-122.7 122.7 14.9 -7.6 -1.6 45 8 B K E -DE 52 71A 46 26,-2.2 26,-2.5 -2,-0.5 2,-0.2 -0.935 21.9-127.6-115.8 135.7 12.6 -9.3 0.9 46 9 B C - 0 0 2 5,-1.7 24,-0.1 -2,-0.4 23,-0.1 -0.579 5.1-148.6 -80.7 141.6 11.9 -7.9 4.4 47 10 B E S S+ 0 0 122 -2,-0.2 -1,-0.1 18,-0.2 22,-0.1 -0.037 93.0 44.5 -98.5 29.0 12.5 -10.3 7.3 48 11 B L S S+ 0 0 103 20,-0.1 -1,-0.1 3,-0.1 18,-0.1 0.538 130.3 8.8-130.6 -65.4 9.7 -8.7 9.3 49 12 B C S S- 0 0 52 2,-0.1 -2,-0.1 -27,-0.0 -25,-0.0 0.880 96.8-118.1 -88.7 -47.6 6.6 -8.0 7.2 50 13 B G + 0 0 27 1,-0.2 2,-0.5 -28,-0.1 -3,-0.1 0.648 47.6 168.3 112.6 29.1 7.7 -9.9 4.1 51 14 B Q - 0 0 0 -26,-0.1 -5,-1.7 -32,-0.0 2,-0.5 -0.633 14.8-165.1 -77.9 122.2 7.8 -7.2 1.5 52 15 B V E +CD 20 45A 13 -32,-1.7 -32,-3.0 -2,-0.5 -33,-2.5 -0.941 10.0 176.1-113.3 127.8 9.5 -8.2 -1.6 53 16 B V E -CD 18 44A 0 -9,-2.2 -9,-2.8 -2,-0.5 2,-0.7 -0.996 23.9-139.7-133.5 136.0 10.6 -5.7 -4.2 54 17 B K E -CD 17 43A 93 -37,-3.1 -37,-3.1 -2,-0.4 2,-0.3 -0.856 21.7-135.5 -98.6 112.6 12.6 -6.2 -7.4 55 18 B V E +CD 16 42A 0 -13,-1.5 -14,-1.8 -2,-0.7 -13,-1.0 -0.506 30.2 169.6 -68.8 125.9 15.1 -3.5 -8.0 56 19 B L E S+ 0 0 52 -41,-2.0 2,-0.3 -2,-0.3 -40,-0.2 0.447 73.2 37.6-113.2 -9.2 15.0 -2.4 -11.6 57 20 B E E S-C 15 0A 101 -42,-2.2 -42,-2.2 -18,-0.1 -1,-0.3 -0.807 78.6-145.4-149.1 101.5 17.3 0.6 -11.1 58 21 B E + 0 0 89 -2,-0.3 -43,-0.1 -44,-0.2 -42,-0.0 -0.199 25.2 164.7 -62.8 156.6 20.3 0.4 -8.7 59 22 B G - 0 0 36 2,-0.2 -1,-0.1 -45,-0.1 -19,-0.0 0.191 49.4 -83.6-134.5-103.7 21.2 3.5 -6.8 60 23 B G S S+ 0 0 60 2,-0.0 2,-0.2 -2,-0.0 -2,-0.0 0.047 89.1 62.0-177.4 45.9 23.5 3.7 -3.7 61 24 B G S S- 0 0 20 -33,-0.1 2,-0.3 -32,-0.0 -2,-0.2 -0.823 70.2 -98.9-155.8-167.4 21.6 2.9 -0.6 62 25 B T - 0 0 56 -2,-0.2 2,-0.8 -35,-0.1 -33,-0.2 -0.803 23.6-119.0-125.8 167.1 19.6 0.2 1.2 63 26 B L - 0 0 0 -2,-0.3 7,-2.1 7,-0.2 2,-0.9 -0.716 30.4-169.5-108.9 78.7 16.0 -0.6 1.8 64 27 B V E +GH 27 69B 39 -37,-2.9 -37,-2.7 -2,-0.8 2,-0.4 -0.591 13.9 174.3 -72.6 106.4 15.6 -0.4 5.6 65 28 B C E > + H 0 68B 0 3,-2.5 3,-1.6 -2,-0.9 -18,-0.2 -0.951 64.5 3.4-119.0 136.5 12.2 -1.8 6.2 66 29 B C T 3 S- 0 0 56 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.838 131.3 -63.0 60.4 33.3 10.7 -2.4 9.7 67 30 B G T 3 S+ 0 0 74 -3,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.730 121.8 106.4 63.4 22.5 13.9 -0.8 11.0 68 31 B E E < S-H 65 0B 90 -3,-1.6 -3,-2.5 -5,-0.1 2,-0.3 -0.988 79.9-113.6-138.0 125.5 15.8 -3.7 9.4 69 32 B D E -H 64 0B 104 -2,-0.4 -5,-0.2 -5,-0.3 -22,-0.1 -0.387 44.8-112.2 -58.3 116.9 17.9 -3.6 6.2 70 33 B M - 0 0 8 -7,-2.1 -24,-0.2 -2,-0.3 -7,-0.2 -0.097 31.0-123.6 -50.3 148.5 16.0 -5.7 3.7 71 34 B V E -E 45 0A 43 -26,-2.5 -26,-2.2 -3,-0.1 2,-0.3 -0.559 19.4-115.1 -95.3 161.6 17.7 -9.0 2.7 72 35 B K E E 44 0A 100 -28,-0.2 -28,-0.2 -2,-0.2 -1,-0.0 -0.698 360.0 360.0 -97.5 149.9 18.6 -10.1 -0.8 73 36 B Q 0 0 113 -30,-2.2 -1,-0.1 -2,-0.3 -30,-0.1 -0.013 360.0 360.0-113.7 360.0 17.0 -13.1 -2.5