==== 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 2JI2 . COMPND 2 MOLECULE: DESULFOFERRODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO BAARSII; . AUTHOR G.KATONA,P.CARPENTIER,V.NIVIERE,P.AMARA,V.ADAM,J.OHANA, . 502 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 66.1 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 . 219 43.6 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 . 53 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.4 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 4 0 8 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 1 A M 0 0 125 0, 0.0 23,-0.2 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 117.1 31.1 22.8 33.8 2 2 A P - 0 0 5 0, 0.0 21,-1.3 0, 0.0 2,-0.3 -0.185 360.0-165.1 -60.1 145.2 27.4 23.2 34.8 3 3 A E > - 0 0 127 19,-0.2 3,-2.1 18,-0.1 16,-0.3 -0.969 35.4 -82.6-132.8 146.1 26.0 22.1 38.2 4 4 A R T 3 S+ 0 0 80 -2,-0.3 16,-0.2 1,-0.2 3,-0.1 -0.172 113.5 19.9 -49.9 136.3 22.5 21.7 39.4 5 5 A L T 3 S+ 0 0 52 14,-2.8 -1,-0.2 1,-0.3 15,-0.1 0.188 88.0 132.0 86.9 -12.2 20.8 24.9 40.5 6 6 A Q < - 0 0 40 -3,-2.1 13,-2.7 13,-0.1 2,-0.5 -0.442 48.7-142.3 -69.6 146.9 23.2 27.2 38.6 7 7 A V E -A 18 0A 1 30,-0.3 30,-3.1 11,-0.2 2,-0.4 -0.953 17.3-169.9-114.3 126.9 21.5 29.9 36.6 8 8 A Y E -AB 17 36A 15 9,-2.8 9,-2.7 -2,-0.5 2,-0.4 -0.933 2.4-163.4-119.4 142.5 22.9 30.9 33.2 9 9 A K E -AB 16 35A 52 26,-2.5 26,-3.1 -2,-0.4 2,-0.7 -0.959 18.9-137.3-127.4 141.2 22.0 33.9 30.9 10 10 A C > - 0 0 1 5,-2.9 4,-1.8 -2,-0.4 24,-0.1 -0.859 14.7-158.1 -92.1 116.4 22.7 34.6 27.3 11 11 A E T 4 S+ 0 0 119 -2,-0.7 -1,-0.1 2,-0.2 19,-0.1 0.565 86.8 53.2 -73.8 -5.9 23.7 38.3 27.2 12 12 A V T 4 S+ 0 0 88 17,-0.1 -1,-0.1 20,-0.1 18,-0.1 0.929 126.2 12.1 -90.3 -61.1 22.8 38.5 23.6 13 13 A C T 4 S- 0 0 30 2,-0.1 137,-0.3 136,-0.0 -2,-0.2 0.557 97.6-118.6 -96.4 -11.2 19.2 37.2 23.3 14 14 A G < + 0 0 17 -4,-1.8 -3,-0.1 1,-0.3 2,-0.0 0.532 53.0 158.2 88.9 2.9 18.3 37.1 27.0 15 15 A N - 0 0 0 -6,-0.1 -5,-2.9 -5,-0.1 2,-0.4 -0.395 19.3-170.0 -59.1 138.6 17.7 33.4 27.3 16 16 A I E +AC 9 147A 3 131,-2.3 130,-3.2 -7,-0.2 131,-2.1 -0.997 7.3 176.4-134.6 128.8 18.0 32.4 31.0 17 17 A V E -AC 8 145A 0 -9,-2.7 -9,-2.8 -2,-0.4 2,-0.4 -0.916 22.1-140.8-132.0 158.1 18.1 28.8 32.1 18 18 A E E -AC 7 144A 1 126,-2.6 126,-2.6 -2,-0.3 2,-0.4 -0.954 29.9-114.3-118.1 139.2 18.6 26.9 35.4 19 19 A V E + C 0 143A 0 -13,-2.7 -14,-2.8 -2,-0.4 124,-0.3 -0.588 34.1 170.4 -78.2 125.8 20.6 23.6 35.5 20 20 A L E S+ 0 0 2 122,-3.1 2,-0.4 -2,-0.4 123,-0.2 0.735 78.0 18.2 -99.8 -35.0 18.6 20.5 36.3 21 21 A N E S- C 0 142A 42 121,-2.1 121,-2.5 -18,-0.1 -1,-0.4 -0.989 80.8-141.0-139.2 128.2 21.4 18.0 35.5 22 22 A G + 0 0 25 -2,-0.4 2,-0.3 119,-0.2 -19,-0.2 -0.138 26.6 157.3 -81.3-179.2 25.0 19.0 35.3 23 23 A G - 0 0 22 -21,-1.3 117,-0.1 2,-0.1 116,-0.0 -0.969 50.5 -86.1 178.4-176.9 27.7 17.8 32.9 24 24 A I S S+ 0 0 127 115,-0.4 -1,-0.1 -2,-0.3 116,-0.1 0.849 88.8 92.7 -82.3 -37.7 31.0 18.6 31.3 25 25 A G S S- 0 0 11 -24,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.229 75.2-121.4 -62.4 144.5 29.9 20.7 28.3 26 26 A E - 0 0 81 -25,-0.1 130,-0.5 1,-0.1 2,-0.3 -0.695 26.5-114.7 -88.6 138.6 29.7 24.4 28.5 27 27 A L - 0 0 5 -2,-0.3 7,-2.7 128,-0.1 2,-0.3 -0.559 39.1-175.6 -73.7 128.6 26.4 26.1 27.8 28 28 A V E +FG 33 154B 35 126,-3.1 126,-3.2 -2,-0.3 2,-0.3 -0.947 12.4 169.3-128.2 146.9 26.5 28.3 24.7 29 29 A C E > +F 32 0B 1 3,-2.5 3,-1.5 -2,-0.3 -18,-0.1 -0.969 68.3 7.2-155.2 141.4 23.9 30.6 23.1 30 30 A C T 3 S- 0 0 37 122,-0.5 3,-0.1 -2,-0.3 123,-0.1 0.885 129.7 -58.0 51.4 44.1 24.2 33.2 20.3 31 31 A N T 3 S+ 0 0 168 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.636 120.5 85.0 65.0 18.3 27.8 32.1 19.6 32 32 A Q E < S-F 29 0B 81 -3,-1.5 -3,-2.5 3,-0.0 -1,-0.1 -0.993 87.1 -86.9-148.8 154.3 29.1 32.8 23.0 33 33 A D E -F 28 0B 109 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.321 48.4-115.5 -57.7 134.0 29.4 31.2 26.5 34 34 A M - 0 0 13 -7,-2.7 2,-0.4 -24,-0.1 -24,-0.2 -0.490 35.1-111.3 -70.6 145.4 26.3 31.7 28.6 35 35 A K E -B 9 0A 88 -26,-3.1 -26,-2.5 -2,-0.1 2,-0.5 -0.642 19.4-127.7 -83.8 130.8 27.1 33.8 31.7 36 36 A L E -B 8 0A 64 -2,-0.4 2,-1.5 -28,-0.2 -28,-0.2 -0.662 19.4-141.9 -76.0 121.1 26.9 32.2 35.1 37 37 A M - 0 0 16 -30,-3.1 -30,-0.3 -2,-0.5 2,-0.2 -0.649 21.6-164.7 -89.2 84.9 24.7 34.4 37.2 38 38 A S > - 0 0 48 -2,-1.5 3,-0.8 1,-0.1 83,-0.3 -0.492 24.1-106.0 -72.4 136.5 26.5 34.2 40.5 39 39 A E T 3 S+ 0 0 52 1,-0.2 83,-0.3 -2,-0.2 -1,-0.1 -0.329 90.5 2.5 -68.9 141.9 24.5 35.4 43.5 40 40 A N T 3 S+ 0 0 69 81,-2.1 -1,-0.2 1,-0.1 82,-0.1 0.821 93.5 113.6 54.8 41.2 25.2 38.7 45.3 41 41 A T < + 0 0 99 -3,-0.8 2,-0.2 80,-0.5 -2,-0.1 0.635 47.1 93.3-110.3 -22.0 27.9 39.8 42.9 42 42 A V S S- 0 0 51 79,-0.3 2,-1.7 -4,-0.3 77,-0.1 -0.484 81.1-119.0 -77.1 142.0 26.3 42.8 41.2 43 43 A D + 0 0 165 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.621 68.2 124.0 -81.5 86.5 26.9 46.3 42.6 44 44 A A S S- 0 0 19 -2,-1.7 2,-0.5 75,-0.1 5,-0.1 -0.883 73.6 -65.5-138.6 169.1 23.3 47.2 43.4 45 45 A A >> - 0 0 37 -2,-0.3 3,-1.2 1,-0.2 4,-0.8 -0.431 40.3-160.1 -62.7 110.2 21.3 48.3 46.4 46 46 A K H >> S+ 0 0 70 -2,-0.5 4,-2.2 1,-0.3 3,-0.6 0.830 88.0 61.6 -60.6 -35.2 21.4 45.4 48.9 47 47 A E H 34 S+ 0 0 97 1,-0.2 20,-2.9 2,-0.2 19,-0.5 0.705 110.8 40.7 -66.9 -18.5 18.4 46.6 50.8 48 48 A K H <4 S+ 0 0 78 -3,-1.2 -1,-0.2 17,-0.2 -2,-0.2 0.522 124.6 32.8-105.8 -8.2 16.3 46.2 47.6 49 49 A H H << S+ 0 0 5 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.2 0.717 87.7 90.3-119.5 -31.7 17.7 42.9 46.3 50 50 A V S < S- 0 0 44 -4,-2.2 15,-0.6 -5,-0.2 16,-0.3 -0.577 81.7-119.1 -71.0 121.8 18.8 40.6 49.1 51 51 A P E -I 64 0C 4 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.294 18.7-143.7 -61.6 145.8 15.7 38.4 49.9 52 52 A V E -I 63 0C 56 11,-2.8 11,-2.1 13,-0.1 2,-0.5 -0.971 13.5-149.3-113.3 122.3 14.3 38.7 53.4 53 53 A I E -I 62 0C 36 -2,-0.5 2,-0.5 9,-0.2 9,-0.2 -0.824 13.1-173.2 -98.4 125.8 13.0 35.4 54.8 54 54 A E E -I 61 0C 103 7,-2.9 7,-3.0 -2,-0.5 2,-0.3 -0.972 21.5-131.7-120.7 125.9 10.1 35.4 57.2 55 55 A K E +I 60 0C 115 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.567 34.7 173.9 -75.2 131.5 8.9 32.2 59.0 56 56 A I E > -I 59 0C 47 3,-2.3 3,-1.9 -2,-0.3 2,-0.6 -0.827 44.8 -65.7-131.9 172.2 5.2 31.8 58.8 57 57 A D T 3 S- 0 0 141 1,-0.3 3,-0.1 -2,-0.3 354,-0.0 -0.446 122.5 -2.5 -62.3 108.5 2.6 29.1 59.7 58 58 A G T 3 S- 0 0 34 -2,-0.6 47,-1.3 1,-0.2 -1,-0.3 0.475 135.8 -13.5 89.7 2.1 3.3 26.2 57.4 59 59 A G E < S-IJ 56 104C 0 -3,-1.9 -3,-2.3 45,-0.3 2,-0.3 -0.866 82.7 -56.6 175.6-139.1 6.1 27.8 55.5 60 60 A Y E -IJ 55 103C 5 43,-2.5 43,-2.8 -2,-0.3 2,-0.5 -0.991 21.2-146.9-144.3 148.9 8.0 31.0 54.6 61 61 A K E -IJ 54 102C 62 -7,-3.0 -7,-2.9 -2,-0.3 2,-0.5 -0.971 19.4-163.9-114.6 130.3 7.3 34.4 53.1 62 62 A V E -IJ 53 101C 0 39,-3.0 39,-2.4 -2,-0.5 2,-0.4 -0.966 6.9-176.1-117.8 130.9 10.1 35.9 51.0 63 63 A K E -IJ 52 100C 87 -11,-2.1 -11,-2.8 -2,-0.5 2,-0.5 -0.958 28.9-112.3-126.1 146.0 10.2 39.6 50.2 64 64 A V E >S-I 51 0C 1 35,-2.7 5,-2.7 -2,-0.4 -16,-0.1 -0.940 81.5 -21.0-121.6 105.0 12.7 41.4 47.9 65 65 A G T 5 - 0 0 1 -15,-0.6 -17,-0.2 -2,-0.5 -18,-0.1 0.512 65.7 -95.6-124.6-133.2 14.1 43.1 49.8 66 66 A A T 5S+ 0 0 63 -19,-0.5 2,-0.5 -16,-0.3 -18,-0.2 0.880 125.8 40.2 -59.7 -35.4 14.1 44.8 53.2 67 67 A V T 5S- 0 0 73 -20,-2.9 -1,-0.1 -4,-0.1 2,-0.0 -0.958 114.8 -99.2-111.5 130.1 12.9 47.7 51.1 68 68 A A T 5 - 0 0 73 -2,-0.5 -3,-0.4 1,-0.1 -2,-0.1 -0.261 38.2-130.7 -54.0 125.8 10.4 46.7 48.4 69 69 A H < - 0 0 5 -5,-2.7 8,-0.1 30,-0.2 -5,-0.1 -0.460 32.2 -91.5 -77.3 150.0 12.1 46.4 45.0 70 70 A P - 0 0 40 0, 0.0 7,-0.4 0, 0.0 -1,-0.1 -0.230 29.3-163.0 -58.7 150.7 10.5 48.1 42.0 71 71 A M + 0 0 18 5,-0.2 25,-2.0 -3,-0.1 5,-0.3 -0.460 39.0 139.4-134.3 58.4 8.1 46.1 39.9 72 72 A E B > -K 75 0D 132 3,-2.8 3,-0.7 23,-0.2 0, 0.0 -0.549 67.3-103.3 -98.5 164.5 8.0 48.2 36.8 73 73 A E T 3 S+ 0 0 155 1,-0.2 3,-0.2 -2,-0.2 -1,-0.1 0.878 123.0 34.6 -54.5 -42.5 7.9 47.0 33.1 74 74 A K T 3 S+ 0 0 183 1,-0.2 -1,-0.2 43,-0.0 2,-0.2 0.444 128.5 34.3 -94.2 -2.4 11.6 47.8 32.6 75 75 A H B < S+K 72 0D 48 -3,-0.7 -3,-2.8 42,-0.1 2,-0.3 -0.746 77.6 121.5-157.1 103.2 12.8 46.9 36.1 76 76 A Y - 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