==== 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 1VZG . 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 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 68.0 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 . 111 44.4 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 . 13 5.2 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 . 2 4 3 0 5 7 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 2 1 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 2 A P 0 0 30 0, 0.0 21,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 149.1 -52.4 -10.8 66.7 2 3 A E > - 0 0 137 19,-0.2 3,-2.1 1,-0.1 16,-0.3 -0.912 360.0 -79.0-123.6 151.2 -51.0 -7.4 65.9 3 4 A R T 3 S+ 0 0 81 -2,-0.3 16,-0.2 1,-0.2 3,-0.1 -0.141 114.6 17.3 -50.1 135.4 -47.6 -5.9 66.7 4 5 A L T 3 S+ 0 0 44 14,-3.0 -1,-0.2 1,-0.3 15,-0.1 0.211 87.8 136.0 85.5 -12.0 -47.3 -4.6 70.3 5 6 A Q < - 0 0 42 -3,-2.1 13,-2.8 12,-0.1 2,-0.5 -0.407 47.5-139.9 -66.9 144.8 -50.3 -6.6 71.6 6 7 A V E -A 17 0A 1 30,-0.3 30,-3.3 11,-0.2 2,-0.4 -0.935 18.8-171.0-111.8 125.3 -49.7 -8.3 74.9 7 8 A Y E -AB 16 35A 29 9,-2.5 9,-2.6 -2,-0.5 2,-0.4 -0.917 5.0-158.4-117.9 143.3 -51.0 -11.8 75.5 8 9 A K E -AB 15 34A 64 26,-2.4 26,-2.8 -2,-0.4 2,-0.8 -0.936 15.9-132.8-121.6 141.4 -51.2 -13.9 78.7 9 10 A a > - 0 0 0 5,-3.2 4,-1.8 -2,-0.4 24,-0.1 -0.826 28.4-130.8 -97.5 110.4 -51.5 -17.6 79.3 10 11 A E T 4 S+ 0 0 82 -2,-0.8 2,-2.1 22,-0.3 4,-0.1 -0.283 84.9 1.8 -57.4 141.9 -54.1 -18.3 81.9 11 12 A V T 4 S+ 0 0 135 1,-0.2 -1,-0.2 2,-0.1 18,-0.1 -0.275 127.1 62.6 76.1 -52.7 -52.9 -20.7 84.6 12 13 A b T 4 S- 0 0 20 -2,-2.1 137,-1.7 16,-0.2 138,-0.5 0.581 94.5-136.4 -84.6 -8.6 -49.4 -21.1 83.2 13 14 A G < + 0 0 25 -4,-1.8 135,-0.2 1,-0.2 -3,-0.1 0.093 48.1 144.1 83.2 -24.8 -48.3 -17.5 83.6 14 15 A N - 0 0 0 133,-0.2 -5,-3.2 -6,-0.1 2,-0.4 -0.161 26.1-170.3 -52.7 144.3 -46.5 -16.7 80.4 15 16 A I E -AC 8 146A 3 131,-2.4 130,-3.2 -7,-0.2 131,-2.3 -0.985 7.5-179.1-139.6 123.7 -46.9 -13.2 79.0 16 17 A V E -AC 7 144A 0 -9,-2.6 -9,-2.5 -2,-0.4 2,-0.4 -0.870 20.3-142.0-126.5 159.7 -45.7 -12.3 75.5 17 18 A E E -AC 6 143A 0 126,-2.7 126,-2.9 -2,-0.3 2,-0.3 -0.976 28.8-116.7-121.4 130.9 -45.6 -9.2 73.3 18 19 A V E + C 0 142A 0 -13,-2.8 -14,-3.0 -2,-0.4 124,-0.3 -0.504 32.6 171.7 -71.2 126.9 -46.2 -9.4 69.6 19 20 A L E S+ 0 0 0 122,-3.1 2,-0.4 1,-0.4 123,-0.2 0.707 77.4 23.1-101.5 -30.2 -43.2 -8.4 67.4 20 21 A N E S- C 0 141A 39 121,-2.1 121,-2.2 -18,-0.1 -1,-0.4 -0.986 83.3-132.9-139.5 126.7 -44.7 -9.6 64.1 21 22 A G + 0 0 27 -2,-0.4 2,-0.3 119,-0.2 -19,-0.2 -0.087 31.0 154.2 -73.0 173.9 -48.4 -10.0 63.5 22 23 A G - 0 0 24 -21,-2.0 117,-0.1 2,-0.1 116,-0.0 -0.965 50.2-102.1 179.5 178.0 -50.3 -12.8 61.9 23 24 A I S S+ 0 0 158 115,-0.4 116,-0.1 -2,-0.3 -1,-0.1 0.666 80.5 105.9 -95.0 -20.2 -53.7 -14.6 61.7 24 25 A G S S- 0 0 6 1,-0.1 2,-0.5 111,-0.1 -2,-0.1 -0.268 71.6-120.7 -63.6 146.8 -52.9 -17.6 63.9 25 26 A E - 0 0 126 115,-0.0 130,-0.6 1,-0.0 2,-0.4 -0.757 23.0-126.6 -90.2 130.0 -54.3 -17.8 67.4 26 27 A L E -F 154 0B 6 -2,-0.5 7,-3.1 7,-0.2 2,-0.3 -0.621 32.1-170.0 -76.8 130.9 -51.7 -18.0 70.2 27 28 A V E +FG 153 32B 38 126,-3.2 126,-2.9 -2,-0.4 2,-0.3 -0.924 13.2 168.4-123.9 149.1 -52.4 -21.0 72.5 28 29 A a E > -FG 152 31B 1 3,-2.7 3,-0.6 -2,-0.3 -18,-0.2 -0.868 66.0 -1.8-166.0 129.9 -51.0 -22.0 75.8 29 30 A b T 3 S- 0 0 50 122,-0.5 3,-0.1 -2,-0.3 -17,-0.1 0.911 127.9 -52.6 51.7 54.7 -51.9 -24.6 78.4 30 31 A N T 3 S+ 0 0 166 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.587 121.7 79.3 62.8 20.3 -55.0 -25.8 76.5 31 32 A Q E < S-G 28 0B 90 -3,-0.6 -3,-2.7 -21,-0.1 -1,-0.1 -0.973 88.2 -92.4-146.7 158.6 -56.6 -22.4 76.0 32 33 A D E -G 27 0B 91 -2,-0.3 -22,-0.3 -5,-0.2 -5,-0.3 -0.448 53.2-104.3 -67.3 145.1 -56.2 -19.4 73.7 33 34 A M - 0 0 13 -7,-3.1 2,-0.5 -24,-0.1 -24,-0.2 -0.504 39.4-113.3 -70.9 145.4 -53.9 -16.9 75.2 34 35 A K E -B 8 0A 113 -26,-2.8 -26,-2.4 -2,-0.1 2,-0.4 -0.695 18.4-127.7 -87.1 123.8 -55.8 -13.9 76.6 35 36 A L E -B 7 0A 70 -2,-0.5 2,-1.4 -28,-0.2 -28,-0.2 -0.540 16.9-144.9 -67.5 123.6 -55.3 -10.5 75.0 36 37 A M - 0 0 22 -30,-3.3 -30,-0.3 -2,-0.4 2,-0.2 -0.700 22.9-164.4 -93.7 84.3 -54.4 -8.1 77.8 37 38 A S > - 0 0 50 -2,-1.4 3,-0.9 1,-0.1 83,-0.3 -0.489 22.8-105.2 -72.6 135.2 -56.3 -5.0 76.4 38 39 A E T 3 S+ 0 0 45 1,-0.2 83,-0.3 -2,-0.2 -1,-0.1 -0.308 90.5 1.4 -67.2 141.2 -55.3 -1.7 77.9 39 40 A N T 3 S+ 0 0 70 81,-2.0 -1,-0.2 1,-0.1 82,-0.1 0.751 93.9 111.2 57.9 33.8 -57.6 0.1 80.4 40 41 A T < + 0 0 94 -3,-0.9 2,-0.2 80,-0.5 -2,-0.1 0.563 48.4 98.6-108.6 -13.8 -60.3 -2.5 80.5 41 42 A V S S- 0 0 55 79,-0.4 2,-1.9 -4,-0.2 77,-0.1 -0.537 79.6-119.8 -80.5 140.5 -59.8 -3.7 84.0 42 43 A D S S+ 0 0 166 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.564 70.6 118.5 -78.5 81.1 -62.0 -2.5 86.9 43 44 A A S S- 0 0 22 -2,-1.9 2,-0.2 75,-0.1 5,-0.1 -0.952 74.5 -71.4-143.0 162.0 -59.2 -1.0 89.0 44 45 A A > - 0 0 60 -2,-0.3 4,-0.9 1,-0.2 3,-0.5 -0.340 32.8-159.1 -59.1 121.7 -58.2 2.5 90.3 45 46 A K H > S+ 0 0 143 1,-0.2 4,-2.7 2,-0.2 20,-0.4 0.825 86.1 71.0 -70.7 -31.7 -57.0 4.7 87.5 46 47 A A H 4 S+ 0 0 47 1,-0.2 20,-2.9 2,-0.2 19,-0.8 0.837 111.1 29.6 -54.0 -36.6 -55.2 6.9 90.0 47 48 A K H 4 S+ 0 0 85 -3,-0.5 -1,-0.2 17,-0.2 -2,-0.2 0.580 128.5 40.0-100.9 -11.3 -52.6 4.2 90.6 48 49 A H H < S+ 0 0 7 -4,-0.9 -3,-0.2 -3,-0.2 -2,-0.2 0.736 86.1 88.6-110.6 -29.1 -52.7 2.4 87.2 49 50 A V S < S- 0 0 41 -4,-2.7 15,-0.6 -5,-0.1 16,-0.4 -0.604 81.9-118.4 -74.6 124.0 -52.9 5.0 84.4 50 51 A P E -I 63 0C 5 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.322 20.4-144.8 -62.2 143.7 -49.4 6.0 83.4 51 52 A V E -I 62 0C 64 11,-2.8 11,-2.3 13,-0.1 2,-0.5 -0.959 12.3-150.0-111.6 124.7 -48.5 9.7 83.9 52 53 A I E -I 61 0C 38 -2,-0.5 2,-0.5 9,-0.2 9,-0.2 -0.847 13.2-175.1-102.4 126.2 -46.2 11.2 81.3 53 54 A E E -I 60 0C 96 7,-2.5 7,-2.8 -2,-0.5 2,-0.4 -0.976 22.3-133.4-120.7 123.1 -43.8 14.0 82.1 54 55 A K E +I 59 0C 115 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.602 34.2 173.6 -75.9 129.5 -41.7 15.6 79.4 55 56 A I E > -I 58 0C 43 3,-2.0 3,-1.5 -2,-0.4 2,-0.6 -0.703 45.1 -62.2-125.9 179.2 -38.1 16.0 80.5 56 57 A D T 3 S- 0 0 163 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 -0.525 122.3 -4.4 -68.3 112.4 -34.8 17.1 78.9 57 58 A G T 3 S- 0 0 31 -2,-0.6 47,-0.6 1,-0.2 2,-0.3 0.522 135.0 -6.7 84.5 5.4 -34.2 14.6 76.1 58 59 A G E < S-IJ 55 103C 0 -3,-1.5 -3,-2.0 45,-0.3 2,-0.3 -0.880 82.6 -60.4 177.8-143.6 -37.1 12.3 76.8 59 60 A Y E -IJ 54 102C 8 43,-2.6 43,-2.9 -2,-0.3 2,-0.5 -0.989 22.7-147.4-141.8 148.2 -40.0 11.3 79.0 60 61 A K E -IJ 53 101C 49 -7,-2.8 -7,-2.5 -2,-0.3 2,-0.5 -0.978 18.7-159.2-116.4 125.1 -40.4 10.2 82.6 61 62 A V E -IJ 52 100C 0 39,-3.2 39,-1.9 -2,-0.5 2,-0.4 -0.926 8.4-174.4-111.7 126.0 -43.2 7.8 83.2 62 63 A K E -IJ 51 99C 86 -11,-2.3 -11,-2.8 -2,-0.5 2,-0.6 -0.932 28.0-116.9-118.5 141.8 -44.8 7.3 86.7 63 64 A V E >S-I 50 0C 1 35,-2.6 5,-2.7 -2,-0.4 -16,-0.1 -0.913 79.7 -23.7-118.8 100.8 -47.4 4.8 87.6 64 65 A G T 5 - 0 0 7 -2,-0.6 -17,-0.2 -15,-0.6 -1,-0.1 0.420 61.8 -92.9-133.5-128.5 -49.5 6.5 88.3 65 66 A A T 5S+ 0 0 81 -19,-0.8 2,-0.5 -20,-0.4 -18,-0.2 0.890 126.0 36.6 -59.2 -35.9 -51.0 9.8 89.5 66 67 A V T 5S- 0 0 73 -20,-2.9 -1,-0.2 -21,-0.1 0, 0.0 -0.971 113.8 -97.7-116.0 128.9 -50.7 8.1 92.9 67 68 A A T 5 - 0 0 75 -2,-0.5 -3,-0.4 1,-0.1 -20,-0.1 -0.222 39.6-133.6 -50.0 122.9 -47.7 5.9 93.4 68 69 A H < - 0 0 5 -5,-2.7 8,-0.1 30,-0.2 -5,-0.1 -0.505 28.8 -95.9 -79.6 147.0 -48.6 2.2 92.7 69 70 A P - 0 0 31 0, 0.0 7,-0.3 0, 0.0 -1,-0.1 -0.239 26.1-161.9 -61.0 149.8 -47.5 -0.4 95.2 70 71 A M + 0 0 25 5,-0.2 25,-1.9 -3,-0.1 5,-0.3 -0.499 37.2 144.9-131.4 61.8 -44.3 -2.4 94.5 71 72 A E B > -K 74 0D 99 3,-2.7 3,-1.2 23,-0.2 0, 0.0 -0.633 64.5-104.2 -99.3 158.7 -44.8 -5.3 96.8 72 73 A E T 3 S+ 0 0 178 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.829 122.5 32.0 -49.2 -39.1 -43.7 -9.0 96.2 73 74 A K T 3 S+ 0 0 133 1,-0.2 -1,-0.3 44,-0.0 2,-0.2 0.440 128.3 35.6-101.8 -0.9 -47.3 -10.0 95.4 74 75 A H B < S+K 71 0D 34 -3,-1.2 -3,-2.7 42,-0.1 2,-0.3 -0.754 79.4 119.1-155.7 102.0 -48.6 -6.7 93.8 75 76 A Y - 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