==== 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 1VZH . 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) . 11799.0 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 . 29 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.0 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 29 0, 0.0 21,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.9 -52.4 -10.9 66.6 2 3 A E > - 0 0 137 19,-0.2 3,-2.1 1,-0.1 16,-0.3 -0.922 360.0 -79.6-124.8 150.2 -51.0 -7.4 65.9 3 4 A R T 3 S+ 0 0 83 -2,-0.3 16,-0.2 1,-0.2 3,-0.1 -0.137 114.1 17.0 -50.2 135.9 -47.6 -5.8 66.7 4 5 A L T 3 S+ 0 0 44 14,-3.1 -1,-0.2 1,-0.3 15,-0.1 0.235 88.2 136.0 84.7 -10.8 -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 -0.419 47.5-139.8 -68.0 145.2 -50.3 -6.6 71.6 6 7 A V E -A 17 0A 1 30,-0.3 30,-3.2 11,-0.2 2,-0.4 -0.935 18.6-170.8-112.2 126.2 -49.7 -8.3 74.9 7 8 A Y E -AB 16 35A 29 9,-2.6 9,-2.6 -2,-0.5 2,-0.4 -0.917 4.5-160.1-118.1 143.8 -51.0 -11.8 75.5 8 9 A K E -AB 15 34A 64 26,-2.4 26,-3.0 -2,-0.4 2,-0.8 -0.952 16.5-132.9-123.8 139.9 -51.2 -13.8 78.7 9 10 A a > - 0 0 0 5,-3.1 4,-1.9 -2,-0.4 24,-0.1 -0.814 28.2-130.1 -95.9 111.3 -51.5 -17.6 79.3 10 11 A E T 4 S+ 0 0 82 -2,-0.8 2,-1.9 22,-0.3 4,-0.1 -0.383 85.7 1.9 -57.8 139.2 -54.1 -18.2 81.9 11 12 A V T 4 S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.1 18,-0.1 -0.325 127.3 61.9 79.1 -55.2 -52.9 -20.6 84.6 12 13 A b T 4 S- 0 0 22 -2,-1.9 137,-1.5 16,-0.1 138,-0.4 0.644 94.1-138.3 -81.0 -13.3 -49.4 -21.1 83.2 13 14 A G < + 0 0 23 -4,-1.9 135,-0.2 1,-0.2 -3,-0.1 0.146 46.3 145.7 84.2 -21.3 -48.4 -17.4 83.6 14 15 A N - 0 0 0 133,-0.2 -5,-3.1 -6,-0.1 2,-0.4 -0.187 26.0-169.0 -53.7 144.4 -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 -0.987 8.0-179.8-138.5 123.6 -46.9 -13.2 79.0 16 17 A V E -AC 7 144A 0 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.4 -0.874 20.4-142.2-126.6 159.2 -45.7 -12.3 75.5 17 18 A E E -AC 6 143A 0 126,-2.7 126,-2.7 -2,-0.3 2,-0.4 -0.968 28.9-115.8-120.4 134.0 -45.6 -9.2 73.3 18 19 A V E + C 0 142A 0 -13,-2.8 -14,-3.1 -2,-0.4 124,-0.3 -0.543 33.1 171.3 -74.1 126.3 -46.2 -9.4 69.6 19 20 A L E S+ 0 0 0 122,-3.0 2,-0.4 -2,-0.4 123,-0.2 0.707 77.3 22.6-101.1 -29.6 -43.2 -8.4 67.4 20 21 A N E S- C 0 141A 39 121,-2.0 121,-2.2 -18,-0.1 -1,-0.4 -0.981 83.6-131.6-140.6 125.8 -44.7 -9.5 64.1 21 22 A G + 0 0 28 -2,-0.4 2,-0.3 119,-0.2 -19,-0.2 -0.124 31.2 158.0 -72.0 170.7 -48.4 -9.9 63.5 22 23 A G - 0 0 23 -21,-1.9 117,-0.1 2,-0.1 116,-0.0 -0.962 48.6-105.2-175.3 177.2 -50.2 -12.9 61.9 23 24 A I S S+ 0 0 158 115,-0.3 -1,-0.1 -2,-0.3 116,-0.1 0.701 80.5 105.0 -93.5 -22.9 -53.6 -14.6 61.7 24 25 A G S S- 0 0 7 1,-0.1 2,-0.5 111,-0.1 -2,-0.1 -0.216 72.0-120.3 -62.1 148.3 -52.9 -17.6 63.9 25 26 A E - 0 0 126 115,-0.0 130,-0.6 7,-0.0 2,-0.3 -0.778 24.1-126.4 -91.5 128.2 -54.3 -17.8 67.4 26 27 A L E -F 154 0B 6 -2,-0.5 7,-3.0 7,-0.1 2,-0.3 -0.599 32.1-169.7 -75.0 130.8 -51.7 -18.0 70.2 27 28 A V E +FG 153 32B 38 126,-3.3 126,-3.1 -2,-0.3 2,-0.3 -0.936 13.5 167.8-124.1 147.8 -52.4 -21.0 72.5 28 29 A a E > -FG 152 31B 1 3,-2.6 3,-0.8 -2,-0.3 -18,-0.2 -0.901 66.1 -0.7-165.0 131.0 -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 0.892 127.9 -52.9 52.8 53.7 -51.9 -24.6 78.4 30 31 A N T 3 S+ 0 0 164 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.569 121.5 79.2 63.5 19.0 -55.0 -25.8 76.5 31 32 A Q E < S-G 28 0B 88 -3,-0.8 -3,-2.6 -21,-0.1 -1,-0.1 -0.971 88.4 -91.5-145.7 159.1 -56.6 -22.4 76.0 32 33 A D E -G 27 0B 90 -2,-0.3 -22,-0.3 -5,-0.2 -5,-0.3 -0.464 53.3-105.1 -67.4 142.7 -56.3 -19.4 73.7 33 34 A M - 0 0 13 -7,-3.0 2,-0.5 -24,-0.1 -24,-0.2 -0.464 39.2-112.9 -68.9 145.6 -53.9 -16.9 75.2 34 35 A K E -B 8 0A 112 -26,-3.0 -26,-2.4 -2,-0.1 2,-0.4 -0.694 18.5-128.4 -87.4 124.5 -55.8 -13.9 76.6 35 36 A L E -B 7 0A 72 -2,-0.5 2,-1.4 -28,-0.2 -28,-0.2 -0.558 16.4-145.1 -69.0 123.5 -55.4 -10.5 75.0 36 37 A M - 0 0 22 -30,-3.2 -30,-0.3 -2,-0.4 2,-0.2 -0.700 22.3-164.6 -93.0 84.1 -54.5 -8.0 77.8 37 38 A S > - 0 0 52 -2,-1.4 3,-0.9 1,-0.1 83,-0.3 -0.494 23.6-104.7 -72.0 136.3 -56.3 -5.0 76.4 38 39 A E T 3 S+ 0 0 46 1,-0.2 83,-0.3 -2,-0.2 -1,-0.1 -0.326 90.7 1.4 -68.3 140.4 -55.3 -1.7 77.9 39 40 A N T 3 S+ 0 0 68 81,-2.0 -1,-0.2 1,-0.1 82,-0.1 0.747 93.6 112.1 59.3 32.5 -57.6 0.1 80.4 40 41 A T < + 0 0 96 -3,-0.9 2,-0.2 80,-0.5 -2,-0.1 0.594 48.1 97.7-106.2 -15.4 -60.3 -2.5 80.5 41 42 A V S S- 0 0 57 79,-0.4 2,-1.9 -4,-0.2 77,-0.1 -0.520 79.9-119.7 -79.6 140.7 -59.8 -3.7 84.1 42 43 A D S S+ 0 0 167 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.568 70.3 118.9 -79.0 81.2 -62.0 -2.4 86.9 43 44 A A S S- 0 0 22 -2,-1.9 2,-0.2 75,-0.1 5,-0.1 -0.937 74.5 -70.2-141.9 163.8 -59.2 -0.9 89.0 44 45 A A >> - 0 0 59 -2,-0.3 4,-1.0 1,-0.2 3,-0.5 -0.362 33.3-159.5 -60.1 120.7 -58.2 2.5 90.3 45 46 A K H 3> S+ 0 0 143 1,-0.2 4,-2.7 -2,-0.2 20,-0.4 0.827 86.8 70.2 -69.7 -31.5 -57.0 4.7 87.5 46 47 A A H 34 S+ 0 0 47 1,-0.2 20,-2.9 2,-0.2 19,-0.8 0.834 111.2 30.2 -54.9 -35.9 -55.2 6.9 90.0 47 48 A K H <4 S+ 0 0 83 -3,-0.5 -1,-0.2 17,-0.2 -2,-0.2 0.602 128.2 39.4-100.5 -12.7 -52.6 4.2 90.6 48 49 A H H < S+ 0 0 7 -4,-1.0 -3,-0.2 -3,-0.1 -2,-0.2 0.736 86.2 89.0-110.2 -28.8 -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 -0.599 81.7-118.4 -74.5 124.4 -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 -0.326 20.4-144.8 -62.3 144.2 -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 -0.960 12.6-150.3-111.6 124.2 -48.5 9.7 83.9 52 53 A I E -I 61 0C 39 -2,-0.5 2,-0.5 9,-0.2 9,-0.2 -0.848 13.4-175.5-102.7 127.0 -46.2 11.2 81.3 53 54 A E E -I 60 0C 93 7,-2.5 7,-2.8 -2,-0.5 2,-0.3 -0.979 22.3-133.4-121.7 122.6 -43.8 14.0 82.1 54 55 A K E +I 59 0C 116 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.590 34.3 172.8 -75.5 131.2 -41.7 15.6 79.4 55 56 A I E > -I 58 0C 42 3,-2.1 3,-1.3 -2,-0.3 2,-0.6 -0.720 45.1 -64.0-128.0 179.5 -38.1 16.0 80.5 56 57 A D T 3 S+ 0 0 162 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 -0.560 122.6 0.6 -70.5 113.1 -34.8 17.1 78.9 57 58 A G T 3 S- 0 0 32 -2,-0.6 47,-0.7 1,-0.2 -1,-0.3 0.384 134.5 -18.5 92.2 -4.4 -34.1 14.5 76.2 58 59 A G E < S-IJ 55 103C 0 -3,-1.3 -3,-2.1 45,-0.3 2,-0.3 -0.839 83.4 -51.0 177.0-137.6 -37.1 12.3 76.7 59 60 A Y E -IJ 54 102C 8 43,-2.8 43,-2.9 -2,-0.3 2,-0.5 -0.986 24.6-147.9-140.7 148.4 -40.0 11.3 79.0 60 61 A K E -IJ 53 101C 50 -7,-2.8 -7,-2.5 -2,-0.3 2,-0.5 -0.977 19.4-158.7-116.0 126.6 -40.4 10.2 82.6 61 62 A V E -IJ 52 100C 0 39,-3.3 39,-2.0 -2,-0.5 2,-0.4 -0.932 8.6-174.2-113.0 126.2 -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 -0.930 27.2-117.8-118.7 142.6 -44.8 7.3 86.7 63 64 A V E >S-I 50 0C 1 35,-2.7 5,-2.6 -2,-0.4 -16,-0.1 -0.920 79.4 -21.2-120.5 101.7 -47.4 4.8 87.6 64 65 A G T 5 - 0 0 7 -15,-0.6 -17,-0.2 -2,-0.6 -1,-0.1 0.438 61.7 -95.7-132.5-130.5 -49.6 6.5 88.4 65 66 A A T 5S+ 0 0 81 -19,-0.8 2,-0.5 -20,-0.4 -18,-0.2 0.888 125.9 37.1 -58.8 -35.7 -51.0 9.8 89.5 66 67 A V T 5S- 0 0 74 -20,-2.9 -1,-0.2 -21,-0.1 0, 0.0 -0.971 114.2 -98.0-115.5 128.1 -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 -0.215 39.7-132.8 -49.7 123.7 -47.7 5.9 93.4 68 69 A H < - 0 0 6 -5,-2.6 8,-0.1 30,-0.2 -5,-0.1 -0.500 28.5 -95.9 -80.0 147.3 -48.6 2.2 92.7 69 70 A P - 0 0 29 0, 0.0 7,-0.3 0, 0.0 -1,-0.1 -0.242 26.1-162.1 -61.0 149.5 -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 -0.509 37.2 144.6-132.0 62.9 -44.3 -2.4 94.5 71 72 A E B > -K 74 0D 98 3,-2.7 3,-1.1 23,-0.2 25,-0.0 -0.651 64.7-103.8-101.0 158.2 -44.8 -5.3 96.8 72 73 A E T 3 S+ 0 0 180 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.832 122.7 31.5 -47.7 -40.5 -43.8 -9.0 96.2 73 74 A K T 3 S+ 0 0 132 1,-0.2 -1,-0.3 44,-0.0 2,-0.2 0.460 128.4 36.1-100.9 -2.1 -47.3 -10.0 95.4 74 75 A H B < S+K 71 0D 34 -3,-1.1 -3,-2.7 42,-0.1 2,-0.3 -0.761 78.9 120.0-154.1 101.6 -48.6 -6.7 93.9 75 76 A Y - 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