==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-FEB-07 2JI1 . COMPND 2 MOLECULE: DESULFOFERRODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO BAARSII; . AUTHOR G.KATONA,P.CARPENTIER,V.NIVIERE,P.AMARA,V.ADAM,J.OHANA, . 500 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 68.6 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 . 222 44.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 3.2 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 . 62 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 4 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 . 4 9 5 1 7 16 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 4 2 0 2 0 2 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 2 A P 0 0 22 0, 0.0 21,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 150.1 27.6 23.3 35.5 2 3 A E > - 0 0 136 19,-0.2 3,-2.1 18,-0.1 16,-0.3 -0.957 360.0 -79.9-132.0 151.3 26.0 22.2 38.8 3 4 A R T 3 S+ 0 0 81 -2,-0.3 16,-0.2 1,-0.2 3,-0.1 -0.128 113.8 21.4 -50.0 140.2 22.4 21.8 40.0 4 5 A L T 3 S+ 0 0 52 14,-3.0 -1,-0.2 1,-0.3 2,-0.1 0.179 87.5 131.8 85.1 -13.9 20.8 25.1 41.1 5 6 A Q < - 0 0 43 -3,-2.1 13,-2.8 13,-0.1 2,-0.5 -0.440 48.2-143.4 -69.7 145.4 23.2 27.3 39.2 6 7 A V E -A 17 0A 1 11,-0.2 30,-3.2 30,-0.2 2,-0.4 -0.947 17.1-171.4-113.9 127.5 21.5 30.0 37.1 7 8 A Y E -AB 16 35A 16 9,-2.7 9,-2.6 -2,-0.5 2,-0.4 -0.929 3.5-163.4-121.3 145.6 22.9 31.1 33.8 8 9 A K E -AB 15 34A 53 26,-2.3 26,-3.0 -2,-0.4 2,-0.8 -0.974 19.5-135.9-129.9 140.7 22.0 33.9 31.4 9 10 A C > - 0 0 1 5,-3.2 4,-1.8 -2,-0.4 24,-0.1 -0.848 15.1-158.4 -91.2 114.9 22.7 34.6 27.8 10 11 A E T 4 S+ 0 0 121 -2,-0.8 -1,-0.1 2,-0.2 19,-0.1 0.609 86.8 52.1 -70.5 -9.7 23.7 38.3 27.7 11 12 A V T 4 S+ 0 0 88 17,-0.1 -1,-0.2 20,-0.1 18,-0.1 0.940 125.7 13.2 -89.3 -61.4 22.8 38.5 24.0 12 13 A C T 4 S- 0 0 30 2,-0.1 137,-0.3 136,-0.0 -2,-0.2 0.568 98.7-116.5 -94.7 -11.4 19.3 37.1 23.7 13 14 A G < + 0 0 17 -4,-1.8 -3,-0.1 1,-0.3 135,-0.0 0.476 54.3 157.4 92.9 -1.1 18.2 37.1 27.4 14 15 A N - 0 0 0 -6,-0.1 -5,-3.2 -5,-0.1 2,-0.4 -0.349 18.1-172.7 -58.0 138.0 17.7 33.4 27.9 15 16 A I E +AC 8 146A 3 131,-2.3 130,-2.8 -7,-0.2 131,-2.0 -0.997 7.0 174.2-135.4 129.7 18.1 32.5 31.6 16 17 A V E -AC 7 144A 0 -9,-2.6 -9,-2.7 -2,-0.4 2,-0.4 -0.927 23.4-138.9-135.1 158.8 18.1 28.9 32.7 17 18 A E E -AC 6 143A 8 126,-2.6 126,-2.5 -2,-0.3 2,-0.4 -0.960 29.3-114.1-119.3 138.4 18.6 27.0 36.0 18 19 A V E + C 0 142A 0 -13,-2.8 -14,-3.0 -2,-0.4 124,-0.3 -0.577 34.5 169.7 -76.3 123.8 20.6 23.7 36.1 19 20 A L E S+ 0 0 8 122,-3.1 2,-0.4 -2,-0.4 123,-0.2 0.742 77.3 19.9 -98.7 -36.0 18.6 20.6 37.0 20 21 A N E S- C 0 141A 42 121,-2.2 121,-2.4 -18,-0.1 -1,-0.4 -0.992 81.3-137.2-138.0 128.1 21.3 18.1 36.2 21 22 A G + 0 0 25 -2,-0.4 2,-0.3 119,-0.2 -19,-0.2 -0.049 25.8 164.0 -75.8-178.3 25.0 19.0 36.0 22 23 A G - 0 0 24 -21,-1.4 117,-0.1 2,-0.1 116,-0.1 -0.955 47.4 -97.1 178.1 173.3 27.7 17.9 33.5 23 24 A I S S+ 0 0 156 115,-0.4 2,-0.1 -2,-0.3 116,-0.1 0.684 89.2 90.4 -86.0 -17.9 31.2 18.7 32.3 24 25 A G S S- 0 0 11 1,-0.1 2,-0.3 111,-0.1 -2,-0.1 -0.457 76.7-118.0 -80.1 152.3 30.2 20.7 29.2 25 26 A E - 0 0 107 -2,-0.1 130,-0.5 1,-0.0 2,-0.4 -0.679 25.7-115.0 -91.0 141.7 29.7 24.5 29.3 26 27 A L E -F 154 0B 5 -2,-0.3 7,-2.8 7,-0.1 2,-0.3 -0.597 38.2-173.3 -76.8 128.8 26.4 26.1 28.5 27 28 A V E +FG 153 32B 35 126,-3.2 126,-3.2 -2,-0.4 2,-0.3 -0.941 12.6 169.5-126.7 145.5 26.5 28.3 25.4 28 29 A C E > + G 0 31B 0 3,-2.6 3,-1.4 -2,-0.3 -17,-0.1 -0.973 67.6 5.6-154.3 140.3 24.1 30.6 23.7 29 30 A C T 3 S- 0 0 37 122,-0.4 -1,-0.1 -2,-0.3 3,-0.1 0.893 129.4 -57.0 51.4 46.0 24.4 33.1 20.9 30 31 A N T 3 S+ 0 0 167 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.617 120.9 82.4 64.5 18.2 27.9 32.1 20.2 31 32 A Q E < S-G 28 0B 79 -3,-1.4 -3,-2.6 3,-0.0 -1,-0.1 -0.990 87.8 -85.3-149.7 156.2 29.2 32.8 23.7 32 33 A D E -G 27 0B 114 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.2 -0.323 49.1-114.4 -58.5 136.5 29.4 31.2 27.1 33 34 A M - 0 0 12 -7,-2.8 2,-0.3 -24,-0.1 -24,-0.2 -0.517 36.1-110.0 -72.8 143.5 26.3 31.8 29.2 34 35 A K E -B 8 0A 92 -26,-3.0 -26,-2.3 -2,-0.2 2,-0.5 -0.598 20.5-128.2 -80.3 131.6 27.1 33.9 32.2 35 36 A L E -B 7 0A 66 -2,-0.3 2,-1.6 -28,-0.2 -28,-0.2 -0.676 18.3-142.3 -77.3 121.8 27.0 32.3 35.6 36 37 A M - 0 0 16 -30,-3.2 -30,-0.2 -2,-0.5 2,-0.2 -0.590 21.7-165.8 -89.4 78.5 24.7 34.5 37.7 37 38 A S > - 0 0 50 -2,-1.6 3,-0.8 1,-0.1 83,-0.2 -0.430 25.3-106.4 -66.4 134.1 26.5 34.3 41.1 38 39 A E T 3 S+ 0 0 52 1,-0.2 83,-0.3 -2,-0.2 -1,-0.1 -0.272 90.1 4.6 -67.2 144.3 24.5 35.6 44.0 39 40 A N T 3 S+ 0 0 68 81,-2.0 -1,-0.2 1,-0.1 82,-0.1 0.796 93.1 112.5 55.4 38.6 25.1 38.9 45.7 40 41 A T < + 0 0 101 -3,-0.8 2,-0.1 80,-0.5 -2,-0.1 0.621 47.2 95.7-110.2 -19.9 27.9 40.0 43.3 41 42 A V S S- 0 0 47 79,-0.3 2,-1.6 77,-0.2 77,-0.1 -0.453 80.4-117.7 -76.7 145.0 26.2 43.0 41.6 42 43 A D + 0 0 166 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.640 69.0 121.6 -82.9 85.8 26.7 46.5 42.8 43 44 A A S S- 0 0 21 -2,-1.6 2,-0.5 75,-0.1 5,-0.1 -0.887 74.2 -65.5-140.6 170.2 23.1 47.4 43.8 44 45 A A >> - 0 0 37 -2,-0.3 3,-1.2 1,-0.2 4,-0.9 -0.453 40.1-158.8 -63.9 111.2 21.2 48.5 46.8 45 46 A K H >> S+ 0 0 70 -2,-0.5 4,-2.5 1,-0.3 3,-0.6 0.851 88.5 60.1 -59.3 -38.5 21.4 45.6 49.3 46 47 A E H 34 S+ 0 0 99 1,-0.2 20,-3.0 2,-0.2 19,-0.5 0.680 111.3 41.1 -66.9 -17.1 18.3 46.7 51.2 47 48 A K H <4 S+ 0 0 79 -3,-1.2 -1,-0.2 17,-0.2 -2,-0.2 0.546 124.2 33.8-105.3 -11.6 16.2 46.3 48.1 48 49 A H H << S+ 0 0 4 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.2 0.734 88.7 89.1-116.4 -31.2 17.7 43.1 46.7 49 50 A V S < S- 0 0 43 -4,-2.5 15,-0.6 -5,-0.2 16,-0.4 -0.566 81.0-119.2 -72.2 126.2 18.8 40.8 49.6 50 51 A P E -I 63 0C 3 0, 0.0 2,-0.6 0, 0.0 13,-0.2 -0.346 18.2-145.0 -65.3 146.2 15.8 38.6 50.5 51 52 A V E -I 62 0C 53 11,-2.5 11,-1.9 13,-0.1 2,-0.5 -0.972 13.3-149.1-114.9 117.6 14.4 38.8 54.0 52 53 A I E -I 61 0C 37 -2,-0.6 2,-0.5 9,-0.2 9,-0.2 -0.763 12.6-171.5 -92.9 125.9 13.1 35.5 55.3 53 54 A E E -I 60 0C 95 7,-2.9 7,-2.9 -2,-0.5 2,-0.3 -0.966 20.6-132.2-120.8 121.8 10.3 35.5 57.8 54 55 A K E +I 59 0C 120 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.537 34.2 174.3 -71.7 128.0 9.1 32.4 59.6 55 56 A I E > -I 58 0C 46 3,-2.3 3,-1.8 -2,-0.3 2,-0.5 -0.841 44.5 -72.3-129.1 167.9 5.4 32.0 59.5 56 57 A D T 3 S+ 0 0 141 -2,-0.3 3,-0.1 1,-0.3 353,-0.0 -0.470 121.2 4.5 -64.4 111.7 2.9 29.2 60.5 57 58 A G T 3 S- 0 0 37 -2,-0.5 47,-1.3 1,-0.2 -1,-0.3 0.344 135.5 -21.3 97.3 -6.8 3.4 26.4 58.1 58 59 A G E < S-IJ 55 103C 0 -3,-1.8 -3,-2.3 45,-0.3 2,-0.3 -0.867 83.2 -52.8 175.0-138.4 6.3 27.9 56.1 59 60 A Y E -IJ 54 102C 8 43,-2.7 43,-3.0 -2,-0.3 2,-0.5 -0.984 23.5-147.2-140.9 148.6 8.1 31.1 55.2 60 61 A K E -IJ 53 101C 63 -7,-2.9 -7,-2.9 -2,-0.3 2,-0.4 -0.959 19.8-162.4-113.1 132.3 7.3 34.5 53.8 61 62 A V E -IJ 52 100C 0 39,-3.3 39,-2.3 -2,-0.5 2,-0.4 -0.967 7.3-175.4-119.8 131.9 10.1 36.0 51.6 62 63 A K E -IJ 51 99C 86 -11,-1.9 -11,-2.5 -2,-0.4 2,-0.5 -0.955 28.2-114.1-126.2 146.4 10.2 39.7 50.7 63 64 A V E >S-I 50 0C 1 35,-2.8 5,-2.7 -2,-0.4 -16,-0.1 -0.932 81.9 -20.0-121.3 103.3 12.6 41.6 48.5 64 65 A G T 5 - 0 0 1 -15,-0.6 -17,-0.2 -2,-0.5 -1,-0.1 0.493 63.6 -97.6-126.7-133.6 14.1 43.2 50.3 65 66 A A T 5S+ 0 0 63 -19,-0.5 2,-0.5 -16,-0.4 -18,-0.2 0.860 125.9 39.0 -60.4 -32.6 14.2 45.0 53.7 66 67 A V T 5S- 0 0 72 -20,-3.0 -1,-0.2 -4,-0.1 -4,-0.0 -0.979 114.9 -98.7-116.2 128.6 12.9 47.9 51.7 67 68 A A T 5 - 0 0 72 -2,-0.5 -3,-0.4 1,-0.1 -2,-0.1 -0.227 38.4-133.0 -51.6 124.4 10.4 46.9 49.0 68 69 A H < - 0 0 5 -5,-2.7 8,-0.1 30,-0.2 -5,-0.1 -0.471 31.5 -92.1 -78.1 149.9 12.1 46.6 45.6 69 70 A P - 0 0 44 0, 0.0 7,-0.4 0, 0.0 -1,-0.1 -0.215 28.6-163.3 -59.8 153.4 10.4 48.3 42.6 70 71 A M + 0 0 16 5,-0.2 25,-2.3 -3,-0.1 5,-0.3 -0.455 37.8 141.1-136.5 58.7 8.0 46.2 40.5 71 72 A E B > -K 74 0D 131 3,-2.8 3,-0.6 23,-0.2 0, 0.0 -0.562 66.5-102.6 -98.4 163.6 7.9 48.4 37.3 72 73 A E T 3 S+ 0 0 156 1,-0.2 3,-0.2 -2,-0.2 -1,-0.1 0.874 123.6 35.5 -51.8 -43.8 7.7 47.2 33.7 73 74 A K T 3 S+ 0 0 127 1,-0.2 2,-0.3 44,-0.0 -1,-0.2 0.517 128.4 33.2 -90.5 -8.2 11.4 48.0 33.2 74 75 A H B < S+K 71 0D 45 -3,-0.6 -3,-2.8 42,-0.1 2,-0.3 -0.796 76.8 124.2-154.6 106.0 12.6 47.0 36.6 75 76 A Y - 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