==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-MAY-04 1VZI . COMPND 2 MOLECULE: DESULFOFERRODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO BAARSII; . AUTHOR V.ADAM,A.ROYANT,V.NIVIERE,F.P.MOLINA-HEREDIA,D.BOURGEOIS . 250 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 69.2 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 . 113 45.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 31 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 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 . 3 4 3 1 3 8 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 1 2 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 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 P 0 0 32 0, 0.0 21,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.8 62.4 20.9 -19.6 2 2 A E > - 0 0 140 19,-0.2 3,-2.4 18,-0.1 16,-0.3 -0.913 360.0 -80.9-124.5 146.4 64.1 18.2 -17.4 3 3 A R T 3 S+ 0 0 86 -2,-0.3 16,-0.2 1,-0.3 3,-0.1 -0.189 113.7 16.0 -50.9 135.4 63.8 17.4 -13.7 4 4 A L T 3 S+ 0 0 31 14,-3.1 -1,-0.3 1,-0.3 15,-0.1 0.180 87.5 135.3 79.1 -1.6 65.9 19.7 -11.5 5 5 A Q < - 0 0 46 -3,-2.4 13,-2.7 12,-0.1 2,-0.4 -0.405 48.2-139.6 -67.7 151.3 66.5 22.4 -14.2 6 6 A V E -A 17 0A 0 30,-0.3 30,-3.2 11,-0.2 2,-0.4 -0.948 18.0-169.2-116.6 129.8 66.0 25.9 -12.9 7 7 A Y E -AB 16 35A 27 9,-2.7 9,-2.7 -2,-0.4 2,-0.4 -0.959 2.6-159.4-123.3 141.2 64.3 28.6 -15.0 8 8 A K E -AB 15 34A 50 26,-2.3 26,-3.1 -2,-0.4 2,-0.7 -0.957 16.7-139.4-122.7 137.4 64.1 32.3 -14.4 9 9 A C > - 0 0 1 5,-3.2 4,-1.8 -2,-0.4 24,-0.1 -0.820 13.9-160.9 -86.1 117.6 61.8 35.0 -15.6 10 10 A E T 4 S+ 0 0 114 -2,-0.7 -1,-0.1 2,-0.2 19,-0.1 0.559 84.6 53.5 -79.6 -2.7 64.0 38.0 -16.3 11 11 A V T 4 S+ 0 0 89 17,-0.1 -1,-0.1 20,-0.1 18,-0.1 0.921 127.5 10.1 -88.4 -59.5 61.1 40.4 -16.2 12 12 A C T 4 S- 0 0 33 2,-0.1 137,-0.4 136,-0.0 -2,-0.2 0.522 97.6-117.6-104.3 -9.2 59.4 39.7 -12.9 13 13 A G < + 0 0 19 -4,-1.8 -3,-0.1 1,-0.3 135,-0.0 0.467 53.0 156.7 88.6 2.4 62.0 37.4 -11.2 14 14 A N - 0 0 0 -6,-0.1 -5,-3.2 131,-0.0 2,-0.4 -0.378 20.6-169.3 -53.0 138.6 60.0 34.2 -10.8 15 15 A I E -AC 8 146A 3 131,-2.4 130,-2.7 -7,-0.2 131,-2.2 -0.997 5.7-177.0-133.8 130.1 62.4 31.3 -10.5 16 16 A V E -AC 7 144A 1 -9,-2.7 -9,-2.7 -2,-0.4 2,-0.4 -0.914 19.4-143.7-129.4 155.7 61.2 27.7 -10.7 17 17 A E E -AC 6 143A 0 126,-2.8 126,-2.7 -2,-0.3 2,-0.4 -0.961 28.5-117.8-116.4 135.7 62.7 24.2 -10.4 18 18 A V E + C 0 142A 0 -13,-2.7 -14,-3.1 -2,-0.4 124,-0.3 -0.579 33.3 171.0 -76.6 125.1 61.4 21.4 -12.6 19 19 A L E S+ 0 0 0 122,-2.8 2,-0.4 -2,-0.4 123,-0.2 0.724 78.8 21.9 -98.4 -30.5 59.8 18.5 -10.6 20 20 A N E S- C 0 141A 39 121,-2.2 121,-2.6 -18,-0.1 -1,-0.4 -0.981 83.8-138.2-136.1 123.5 58.4 16.7 -13.6 21 21 A G + 0 0 27 -2,-0.4 2,-0.3 119,-0.2 -19,-0.2 -0.141 29.2 157.0 -76.9 175.8 59.8 17.3 -17.1 22 22 A G - 0 0 22 -21,-1.7 117,-0.1 2,-0.1 116,-0.1 -0.961 50.5 -95.2 178.6 176.0 57.8 17.7 -20.3 23 23 A I S S+ 0 0 163 115,-0.4 116,-0.1 -2,-0.3 -21,-0.0 0.661 80.5 107.5 -91.9 -17.7 58.2 19.2 -23.8 24 24 A G S S- 0 0 7 1,-0.1 2,-0.5 -23,-0.1 -2,-0.1 -0.304 70.6-119.7 -68.9 145.7 56.6 22.6 -23.3 25 25 A E - 0 0 121 1,-0.0 130,-0.5 -24,-0.0 2,-0.2 -0.728 29.2-124.9 -83.4 125.5 58.6 25.8 -23.2 26 26 A L E -F 154 0B 4 -2,-0.5 7,-2.7 128,-0.1 2,-0.3 -0.537 33.0-171.4 -75.8 135.4 58.1 27.6 -19.8 27 27 A V E +FG 153 32B 29 126,-3.1 126,-3.2 5,-0.3 2,-0.3 -0.943 14.5 170.3-130.0 143.2 56.9 31.2 -20.3 28 28 A C E > S+FG 152 31B 0 3,-2.5 3,-1.7 -2,-0.3 -18,-0.1 -0.975 71.5 7.8-152.4 140.5 56.4 34.1 -17.9 29 29 A C T 3 S- 0 0 39 122,-0.5 3,-0.1 -2,-0.3 123,-0.1 0.874 130.5 -60.8 54.7 37.5 55.7 37.8 -18.6 30 30 A N T 3 S+ 0 0 165 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.695 119.1 85.8 65.2 21.8 55.2 36.9 -22.3 31 31 A Q E < S-G 28 0B 86 -3,-1.7 -3,-2.5 3,-0.0 -1,-0.2 -0.990 86.6 -85.6-145.9 159.8 58.6 35.6 -22.9 32 32 A D E -G 27 0B 83 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.336 45.6-116.8 -62.2 137.3 60.4 32.4 -22.5 33 33 A M - 0 0 12 -7,-2.7 2,-0.5 -24,-0.1 -24,-0.2 -0.442 33.1-112.7 -71.6 148.3 61.9 31.7 -19.1 34 34 A K E -B 8 0A 93 -26,-3.1 -26,-2.3 -2,-0.1 2,-0.4 -0.712 18.4-128.1 -88.0 129.5 65.7 31.5 -19.1 35 35 A L E -B 7 0A 62 -2,-0.5 2,-1.4 -28,-0.2 -28,-0.2 -0.618 19.7-143.1 -70.2 120.6 67.4 28.1 -18.4 36 36 A M - 0 0 15 -30,-3.2 -30,-0.3 -2,-0.4 2,-0.2 -0.724 20.9-162.7 -91.8 88.8 69.9 28.9 -15.6 37 37 A S > - 0 0 47 -2,-1.4 3,-0.8 1,-0.1 83,-0.3 -0.512 23.5-105.0 -77.2 139.4 72.6 26.5 -16.7 38 38 A E T 3 S+ 0 0 50 -2,-0.2 83,-0.3 1,-0.2 -1,-0.1 -0.325 91.4 3.1 -70.1 141.2 75.2 25.8 -14.0 39 39 A N T 3 S+ 0 0 72 81,-2.4 -1,-0.2 1,-0.1 82,-0.1 0.836 93.6 112.7 63.1 37.8 78.7 27.4 -14.1 40 40 A T < + 0 0 99 -3,-0.8 2,-0.2 80,-0.5 -2,-0.1 0.566 47.3 93.4-113.5 -11.4 78.1 29.5 -17.2 41 41 A V S S- 0 0 48 79,-0.3 2,-1.1 77,-0.3 77,-0.1 -0.577 80.4-113.5 -88.3 146.2 78.3 33.1 -15.8 42 42 A D S S+ 0 0 167 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.693 71.0 119.4 -74.7 99.7 81.4 35.3 -15.7 43 43 A A S S- 0 0 29 -2,-1.1 2,-0.6 75,-0.0 5,-0.1 -0.967 73.9 -67.8-157.3 166.1 81.8 35.6 -12.0 44 44 A A >> - 0 0 55 -2,-0.3 3,-1.1 1,-0.2 4,-0.9 -0.460 34.7-161.7 -67.5 114.9 84.4 34.7 -9.3 45 45 A K H 3> S+ 0 0 153 -2,-0.6 4,-2.4 1,-0.2 3,-0.4 0.825 88.5 65.4 -60.9 -33.5 84.6 30.9 -9.0 46 46 A A H 34 S+ 0 0 51 1,-0.2 20,-2.6 2,-0.2 19,-0.6 0.777 111.8 34.1 -62.0 -26.3 86.2 31.3 -5.6 47 47 A K H <4 S+ 0 0 81 -3,-1.1 -1,-0.2 17,-0.2 -2,-0.2 0.493 127.1 36.4-103.2 -10.9 83.0 32.8 -4.3 48 48 A H H < S+ 0 0 4 -4,-0.9 -3,-0.2 -3,-0.4 -2,-0.2 0.688 86.1 89.1-117.2 -27.9 80.5 30.8 -6.3 49 49 A V S < S- 0 0 43 -4,-2.4 15,-0.6 -5,-0.2 16,-0.4 -0.617 81.9-118.6 -75.6 124.0 81.6 27.2 -6.9 50 50 A P E -I 63 0C 4 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.380 19.0-146.4 -62.3 144.9 80.3 25.2 -3.9 51 51 A V E -I 62 0C 52 11,-2.7 11,-2.7 13,-0.1 2,-0.5 -0.967 12.2-148.5-111.1 128.6 82.8 23.5 -1.6 52 52 A I E +I 61 0C 36 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.882 18.8 176.3-104.3 122.8 81.6 20.2 -0.2 53 53 A E E -I 60 0C 82 7,-2.9 7,-3.0 -2,-0.5 2,-0.2 -0.960 27.7-121.3-120.6 142.0 82.8 19.1 3.3 54 54 A K E +I 59 0C 166 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.540 31.2 179.0 -71.1 149.5 81.7 16.0 5.2 55 55 A I E > -I 58 0C 58 3,-2.4 3,-1.9 -2,-0.2 2,-0.7 -0.865 47.8 -68.5-133.5 174.6 80.2 16.4 8.7 56 56 A D T 3 S+ 0 0 161 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.531 124.0 2.2 -63.1 111.6 78.9 13.8 11.2 57 57 A G T 3 S- 0 0 40 -2,-0.7 47,-1.7 1,-0.2 2,-0.3 0.518 135.4 -13.9 94.3 4.9 75.8 12.5 9.5 58 58 A G E < S-IJ 55 103C 10 -3,-1.9 -3,-2.4 45,-0.3 2,-0.3 -0.905 85.0 -51.6 169.1-145.6 75.9 14.4 6.1 59 59 A Y E -IJ 54 102C 11 43,-2.5 43,-2.8 -2,-0.3 2,-0.4 -0.967 23.2-147.5-135.0 149.7 77.6 17.3 4.3 60 60 A K E -IJ 53 101C 48 -7,-3.0 -7,-2.9 -2,-0.3 2,-0.5 -0.980 17.7-157.1-112.2 130.5 78.2 21.0 4.8 61 61 A V E -IJ 52 100C 0 39,-3.1 39,-2.0 -2,-0.4 2,-0.4 -0.955 6.6-166.6-108.6 129.3 78.2 23.0 1.7 62 62 A K E -IJ 51 99C 73 -11,-2.7 -11,-2.7 -2,-0.5 2,-0.6 -0.923 23.3-121.9-113.1 138.3 80.1 26.4 1.7 63 63 A V E >S-I 50 0C 1 35,-2.8 5,-2.7 -2,-0.4 -16,-0.1 -0.915 80.2 -23.0-116.6 101.8 79.7 29.0 -1.0 64 64 A G T 5 - 0 0 7 -2,-0.6 -17,-0.2 -15,-0.6 -1,-0.1 0.506 63.4 -95.1-124.3-134.3 82.6 29.1 -1.8 65 65 A A T 5S+ 0 0 85 -19,-0.6 2,-0.4 -16,-0.4 -18,-0.2 0.839 127.3 39.1 -57.6 -32.7 86.2 28.6 -1.1 66 66 A V T 5S- 0 0 75 -20,-2.6 -1,-0.1 -4,-0.1 2,-0.1 -0.979 112.9-103.9-111.1 129.3 85.9 32.3 -0.2 67 67 A A T 5 - 0 0 70 -2,-0.4 -3,-0.4 1,-0.1 3,-0.1 -0.282 36.9-131.1 -62.9 126.5 82.6 33.2 1.6 68 68 A H < - 0 0 6 -5,-2.7 8,-0.1 30,-0.2 -5,-0.1 -0.473 29.6 -93.3 -74.0 149.7 80.2 34.9 -0.8 69 69 A P - 0 0 38 0, 0.0 7,-0.5 0, 0.0 -1,-0.1 -0.191 26.4-159.9 -55.9 156.0 78.5 38.2 0.3 70 70 A M + 0 0 19 5,-0.2 25,-2.5 -3,-0.1 5,-0.3 -0.557 37.5 147.5-135.9 65.0 75.0 37.9 1.9 71 71 A E B > -L 74 0D 130 3,-3.0 3,-1.4 23,-0.2 25,-0.0 -0.666 63.4 -99.0-101.3 160.3 73.8 41.4 1.3 72 72 A E T 3 S+ 0 0 151 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.839 123.7 25.2 -45.3 -45.7 70.3 42.7 0.6 73 73 A K T 3 S+ 0 0 158 1,-0.2 -1,-0.3 43,-0.0 2,-0.2 0.294 127.7 45.2-112.3 12.5 70.8 42.9 -3.1 74 74 A H B < S+L 71 0D 38 -3,-1.4 -3,-3.0 42,-0.1 2,-0.3 -0.692 76.8 121.7-154.3 99.0 73.6 40.3 -3.5 75 75 A Y - 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