==== 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 06-OCT-11 2LK5 . COMPND 2 MOLECULE: DESULFOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR B.J.GOODFELLOW,P.TAVARES,M.J.ROMAO,C.CZAJA,F.RUSNAK,J.LEGALL . 72 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 55.6 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 . 30 41.7 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 . 6 8.3 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 . 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 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 41 0, 0.0 17,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -53.8 2.1 0.0 -1.2 2 2 A N > - 0 0 104 2,-0.1 3,-1.1 3,-0.1 16,-0.2 0.693 360.0 -78.0 72.6 122.3 3.7 3.4 -0.7 3 3 A E T 3 S+ 0 0 132 1,-0.2 16,-0.2 16,-0.1 3,-0.1 -0.096 119.1 41.6 -48.3 145.7 4.4 5.6 -3.7 4 4 A G T 3 S+ 0 0 55 14,-1.1 2,-0.3 1,-0.4 -1,-0.2 0.398 90.0 121.2 92.3 -0.4 7.4 4.5 -5.8 5 5 A D < - 0 0 41 -3,-1.1 13,-3.0 13,-0.4 2,-0.4 -0.697 52.1-146.0 -97.0 149.4 6.4 0.9 -5.4 6 6 A V E -A 17 0A 35 -2,-0.3 30,-2.4 11,-0.2 2,-0.4 -0.940 9.9-162.8-118.3 138.2 5.7 -1.4 -8.4 7 7 A Y E -AB 16 35A 45 9,-2.8 9,-2.6 -2,-0.4 2,-0.2 -0.954 2.2-158.8-123.0 140.5 3.2 -4.2 -8.4 8 8 A K E -AB 15 34A 60 26,-1.8 26,-3.0 -2,-0.4 7,-0.2 -0.705 24.5-131.0-112.4 165.0 2.9 -7.1 -10.8 9 9 A C - 0 0 0 5,-1.6 19,-0.1 24,-0.3 6,-0.1 0.767 28.9-148.1 -83.2 -28.9 -0.0 -9.4 -11.7 10 10 A E S S+ 0 0 122 4,-0.3 5,-0.1 1,-0.2 22,-0.0 0.604 84.7 52.4 69.5 11.3 2.1 -12.4 -11.2 11 11 A L S S+ 0 0 106 3,-0.1 -1,-0.2 20,-0.1 18,-0.1 0.365 114.1 23.2-133.6 -86.8 0.0 -14.0 -13.9 12 12 A C S S- 0 0 55 1,-0.1 48,-0.1 -3,-0.1 17,-0.0 0.876 107.2-113.2 -56.5 -38.8 -0.5 -12.2 -17.2 13 13 A G + 0 0 20 1,-0.2 2,-0.4 46,-0.1 -1,-0.1 0.704 57.9 160.2 107.6 33.2 2.8 -10.4 -16.5 14 14 A Q - 0 0 4 42,-0.0 -5,-1.6 46,-0.0 2,-0.4 -0.740 19.0-166.6 -90.6 132.0 1.5 -6.9 -16.0 15 15 A V E +AC 8 57A 5 42,-1.8 42,-2.7 -2,-0.4 41,-1.1 -0.974 12.7 165.9-122.2 132.0 3.6 -4.5 -14.1 16 16 A V E -AC 7 55A 0 -9,-2.6 -9,-2.8 -2,-0.4 2,-0.3 -0.916 26.2-128.4-139.3 163.9 2.5 -1.1 -12.8 17 17 A K E -AC 6 54A 36 37,-1.1 37,-1.4 -2,-0.3 2,-1.2 -0.862 19.7-123.4-116.4 150.7 3.7 1.6 -10.4 18 18 A V E + C 0 53A 0 -13,-3.0 -14,-1.1 -2,-0.3 -13,-0.4 -0.724 36.3 166.1 -94.6 86.5 1.8 3.2 -7.5 19 19 A L E S+ 0 0 51 -2,-1.2 2,-0.3 33,-1.0 34,-0.2 0.911 79.2 10.2 -65.2 -43.9 2.0 6.8 -8.4 20 20 A E E S- C 0 52A 90 32,-2.8 32,-1.9 -3,-0.2 -1,-0.3 -0.871 80.6-139.9-143.4 105.1 -0.6 7.7 -5.8 21 21 A E + 0 0 118 -2,-0.3 2,-0.2 -3,-0.3 -18,-0.1 -0.301 29.5 174.5 -62.8 145.1 -1.8 5.1 -3.3 22 22 A G - 0 0 35 2,-0.3 2,-0.5 29,-0.0 28,-0.1 -0.673 47.8 -79.3-137.2-169.4 -5.5 5.1 -2.6 23 23 A G S S+ 0 0 78 26,-0.4 2,-0.3 -2,-0.2 27,-0.1 -0.261 98.4 85.7 -93.3 45.3 -8.2 3.2 -0.7 24 24 A G S S- 0 0 18 -2,-0.5 2,-0.4 25,-0.1 -2,-0.3 -0.903 71.6-120.8-139.9 167.0 -8.4 0.5 -3.3 25 25 A T - 0 0 71 -2,-0.3 2,-0.8 2,-0.0 41,-0.2 -0.915 24.0-122.3-115.1 139.1 -6.7 -2.7 -4.3 26 26 A L - 0 0 13 -2,-0.4 7,-1.7 7,-0.1 2,-0.4 -0.700 36.1-176.3 -81.8 112.2 -5.0 -3.5 -7.6 27 27 A V E +FG 32 64B 32 37,-2.0 37,-2.0 -2,-0.8 2,-0.3 -0.858 8.8 171.8-111.8 146.0 -6.7 -6.5 -9.1 28 28 A C E > +F 31 0B 0 3,-3.2 3,-0.8 -2,-0.4 35,-0.1 -0.947 67.3 0.1-155.4 130.6 -5.7 -8.2 -12.3 29 29 A C T 3 S- 0 0 57 -2,-0.3 3,-0.1 33,-0.3 -1,-0.1 0.948 129.0 -58.5 54.8 52.8 -6.9 -11.4 -13.9 30 30 A G T 3 S+ 0 0 85 1,-0.2 2,-0.3 32,-0.1 -1,-0.3 0.791 121.0 111.7 47.0 31.7 -9.3 -11.9 -11.0 31 31 A E E < S-F 28 0B 59 -3,-0.8 -3,-3.2 3,-0.0 2,-1.0 -0.925 77.8-110.0-133.1 157.1 -6.2 -11.9 -8.9 32 32 A D E -F 27 0B 103 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.776 45.0-116.8 -90.8 102.4 -4.8 -9.5 -6.3 33 33 A M - 0 0 10 -7,-1.7 -24,-0.3 -2,-1.0 2,-0.2 0.071 30.6-127.7 -35.2 142.5 -1.7 -7.9 -7.9 34 34 A V E -B 8 0A 53 -26,-3.0 -26,-1.8 -3,-0.0 2,-0.5 -0.577 14.9-115.4 -97.0 161.9 1.5 -8.8 -6.0 35 35 A K E B 7 0A 112 -28,-0.2 -28,-0.2 -2,-0.2 -26,-0.0 -0.846 360.0 360.0-101.5 132.6 4.1 -6.4 -4.7 36 36 A Q 0 0 106 -30,-2.4 -30,-0.2 -2,-0.5 -1,-0.0 -0.386 360.0 360.0 -75.2 360.0 7.6 -6.5 -6.2 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 48 0, 0.0 2,-0.4 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 158.5 -2.9 -0.5 -22.4 39 2 B N > - 0 0 109 1,-0.1 3,-1.2 4,-0.1 16,-0.2 -0.766 360.0 -99.6 -94.8 136.3 0.1 1.1 -24.0 40 3 B E T 3 S+ 0 0 142 -2,-0.4 16,-0.2 1,-0.3 3,-0.1 -0.204 110.6 28.5 -52.7 138.7 3.5 0.9 -22.3 41 4 B G T 3 S+ 0 0 50 14,-2.2 2,-0.3 1,-0.3 -1,-0.3 0.630 92.1 139.2 81.7 15.7 4.3 4.1 -20.4 42 5 B D < - 0 0 32 -3,-1.2 13,-2.3 13,-0.5 2,-0.4 -0.704 44.1-142.4 -94.7 145.5 0.6 4.8 -19.9 43 6 B V E -D 54 0A 46 -2,-0.3 30,-2.8 11,-0.2 2,-0.4 -0.879 12.1-163.0-110.1 140.2 -0.7 6.1 -16.6 44 7 B Y E -DE 53 72A 38 9,-3.2 9,-3.0 -2,-0.4 2,-0.3 -0.979 7.6-179.0-126.3 135.7 -4.0 5.1 -15.1 45 8 B K E -DE 52 71A 64 26,-1.2 26,-1.7 -2,-0.4 7,-0.2 -0.950 18.0-134.1-132.1 151.4 -6.1 6.8 -12.4 46 9 B C - 0 0 2 5,-1.8 24,-0.1 -2,-0.3 20,-0.0 -0.552 3.7-149.6 -99.4 166.9 -9.3 6.0 -10.7 47 10 B E S S+ 0 0 149 -2,-0.2 -1,-0.1 3,-0.1 23,-0.0 0.576 94.0 40.4-108.6 -19.1 -12.2 8.3 -10.0 48 11 B L S S+ 0 0 104 17,-0.1 18,-0.1 3,-0.1 -25,-0.1 0.902 131.3 19.1 -91.2 -76.7 -13.4 6.6 -6.8 49 12 B C S S- 0 0 32 16,-0.1 -26,-0.4 -27,-0.1 -25,-0.1 0.863 95.7-138.7 -63.1 -36.5 -10.4 5.6 -4.8 50 13 B G + 0 0 25 1,-0.3 2,-0.3 -28,-0.1 -3,-0.1 0.729 42.3 162.1 82.0 24.8 -8.4 8.1 -6.8 51 14 B Q - 0 0 6 -6,-0.0 -5,-1.8 -32,-0.0 2,-0.4 -0.587 22.9-159.0 -80.7 138.5 -5.4 5.8 -7.1 52 15 B V E +CD 20 45A 9 -32,-1.9 -32,-2.8 -2,-0.3 -33,-1.0 -0.978 17.2 164.8-122.8 130.0 -2.9 6.5 -9.8 53 16 B V E -CD 18 44A 0 -9,-3.0 -9,-3.2 -2,-0.4 2,-0.3 -0.918 27.5-125.0-138.9 163.1 -0.5 3.9 -11.2 54 17 B K E -CD 17 43A 81 -37,-1.4 -37,-1.1 -2,-0.3 2,-0.9 -0.722 19.0-123.7-108.8 159.8 1.8 3.5 -14.2 55 18 B V E +C 16 0A 0 -13,-2.3 -14,-2.2 -2,-0.3 -13,-0.5 -0.772 35.7 164.7-105.7 85.9 1.9 0.8 -16.8 56 19 B L E S+ 0 0 73 -41,-1.1 2,-0.4 -2,-0.9 -40,-0.2 0.898 79.1 13.6 -65.7 -42.0 5.4 -0.5 -16.7 57 20 B E E S-C 15 0A 77 -42,-2.7 -42,-1.8 -3,-0.2 -1,-0.3 -0.932 82.6-131.8-142.2 113.9 4.4 -3.6 -18.6 58 21 B E - 0 0 117 -2,-0.4 2,-0.3 -3,-0.3 -19,-0.1 -0.215 29.0-172.5 -60.5 151.8 1.2 -4.0 -20.4 59 22 B G - 0 0 20 2,-0.2 2,-1.4 -45,-0.1 -46,-0.1 -0.951 38.6-105.3-145.3 162.7 -0.8 -7.2 -19.9 60 23 B G S S+ 0 0 80 -2,-0.3 2,-0.2 -48,-0.1 -2,-0.0 -0.312 92.8 77.8 -85.3 51.8 -3.8 -9.1 -21.1 61 24 B G S S- 0 0 28 -2,-1.4 2,-0.3 -33,-0.0 -2,-0.2 -0.809 78.5-100.4-144.7-176.3 -5.8 -8.1 -18.0 62 25 B T - 0 0 77 -2,-0.2 2,-1.2 0, 0.0 -33,-0.3 -0.884 21.6-129.3-116.9 147.6 -7.8 -5.3 -16.4 63 26 B L - 0 0 10 -2,-0.3 7,-1.7 7,-0.2 -35,-0.2 -0.725 35.4-174.1 -96.5 85.2 -6.7 -3.0 -13.6 64 27 B V E +GH 27 69B 44 -37,-2.0 -37,-2.0 -2,-1.2 5,-0.3 -0.412 7.7 170.2 -77.8 155.7 -9.5 -3.3 -11.2 65 28 B C E > + H 0 68B 0 3,-1.7 3,-1.0 -39,-0.2 -39,-0.1 -0.903 58.7 5.0-167.5 137.3 -9.7 -1.1 -8.1 66 29 B C T 3 S- 0 0 41 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.960 129.7 -55.6 47.5 65.7 -12.3 -0.4 -5.4 67 30 B G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -42,-0.1 2,-0.2 0.777 130.8 82.6 37.7 33.9 -14.7 -3.0 -6.8 68 31 B E E < S-H 65 0B 93 -3,-1.0 -3,-1.7 -5,-0.0 2,-0.5 -0.632 88.2 -93.1-140.9-162.1 -14.3 -1.0 -10.0 69 32 B D E -H 64 0B 77 -5,-0.3 -5,-0.2 -2,-0.2 -3,-0.0 -0.920 39.9-123.2-131.7 105.3 -12.0 -0.6 -13.0 70 33 B M - 0 0 3 -7,-1.7 -24,-0.2 -2,-0.5 2,-0.2 0.102 29.2-120.1 -39.5 156.6 -9.4 2.1 -12.8 71 34 B V E -E 45 0A 62 -26,-1.7 -26,-1.2 2,-0.0 2,-0.4 -0.637 16.5-124.6-103.2 162.6 -9.4 4.7 -15.6 72 35 B K E E 44 0A 105 -28,-0.3 -28,-0.3 -2,-0.2 -30,-0.0 -0.867 360.0 360.0-110.1 142.5 -6.8 5.6 -18.1 73 36 B Q 0 0 131 -30,-2.8 -29,-0.1 -2,-0.4 -30,-0.1 -0.158 360.0 360.0 -85.6 360.0 -5.3 9.0 -18.6