==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON-SULFUR PROTEIN 21-DEC-97 1RB9 . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. . AUTHOR Z.DAUTER,S.BUTTERWORTH,L.C.SIEKER,G.SHELDRICK,K.S.WILSON . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 51.9 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 . 11 21.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.9 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 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 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 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 155 0, 0.0 15,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 8.1 -2.0 -14.2 -2.7 2 2 A K - 0 0 82 12,-0.1 28,-0.4 13,-0.1 2,-0.2 -0.368 360.0-139.6 -63.5 126.7 -3.7 -10.8 -2.3 3 3 A K - 0 0 74 49,-0.3 49,-2.9 -2,-0.1 2,-0.4 -0.574 12.8-157.6 -87.8 152.0 -1.4 -8.2 -0.8 4 4 A Y E -AB 13 51A 50 9,-1.7 9,-3.0 47,-0.3 2,-0.4 -0.984 5.5-145.6-130.8 144.9 -2.5 -5.7 1.8 5 5 A V E -AB 12 50A 26 45,-2.9 45,-2.2 -2,-0.4 2,-0.5 -0.900 17.3-122.0-117.9 136.8 -1.0 -2.3 2.6 6 6 A C E > - B 0 49A 2 5,-3.0 4,-2.2 -2,-0.4 43,-0.2 -0.615 15.2-153.6 -73.7 121.2 -0.8 -0.6 6.0 7 7 A T T 4 S+ 0 0 79 41,-2.5 -1,-0.1 -2,-0.5 42,-0.1 0.464 91.5 55.1 -81.8 0.9 -2.4 2.8 5.7 8 8 A V T 4 S+ 0 0 88 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.876 130.7 0.7 -87.2 -55.1 -0.3 4.1 8.5 9 9 A C T 4 S- 0 0 56 2,-0.1 -2,-0.2 35,-0.0 -4,-0.0 0.514 91.1-112.3-120.0 -12.0 3.2 3.4 7.2 10 10 A G < + 0 0 41 -4,-2.2 -3,-0.1 1,-0.3 2,-0.1 0.419 57.8 152.4 90.1 -0.0 3.0 1.7 3.8 11 11 A Y - 0 0 48 -6,-0.1 -5,-3.0 1,-0.1 2,-0.5 -0.388 36.3-140.5 -59.0 139.1 4.2 -1.8 4.7 12 12 A E E -A 5 0A 106 -7,-0.2 2,-0.6 -2,-0.1 -7,-0.2 -0.910 0.6-143.3-107.9 122.7 2.8 -4.4 2.4 13 13 A Y E -A 4 0A 0 -9,-3.0 -9,-1.7 -2,-0.5 17,-0.1 -0.761 19.9-166.4 -77.5 122.2 1.8 -7.8 3.8 14 14 A D >> - 0 0 39 -2,-0.6 4,-2.0 4,-0.4 3,-1.6 -0.942 13.9-156.0-115.9 108.4 2.8 -10.3 1.1 15 15 A P T 34 S+ 0 0 0 0, 0.0 12,-2.9 0, 0.0 13,-0.4 0.785 92.2 62.4 -55.7 -32.0 1.2 -13.7 1.6 16 16 A A T 34 S+ 0 0 52 -15,-0.2 13,-0.1 1,-0.2 -3,-0.0 0.801 114.6 33.8 -64.8 -27.5 4.0 -15.4 -0.4 17 17 A E T <4 S- 0 0 129 -3,-1.6 -1,-0.2 1,-0.2 7,-0.1 0.695 90.3-171.3 -94.6 -29.2 6.4 -14.3 2.2 18 18 A G < - 0 0 6 -4,-2.0 -4,-0.4 10,-0.2 7,-0.2 -0.335 40.6 -84.9 63.9-151.3 4.3 -14.4 5.4 19 19 A D B > > -C 24 0B 14 5,-2.4 3,-2.0 -4,-0.1 5,-1.7 -0.536 45.0-178.2-154.2 75.7 5.8 -12.9 8.4 20 20 A P G > 5S+ 0 0 89 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.827 77.3 59.6 -56.5 -39.9 8.0 -15.6 10.0 21 21 A D G 3 5S+ 0 0 136 1,-0.3 4,-0.1 2,-0.1 0, 0.0 0.655 108.4 46.7 -69.2 -10.2 9.1 -13.6 13.1 22 22 A N G < 5S- 0 0 83 -3,-2.0 -1,-0.3 2,-0.2 3,-0.1 0.124 127.0 -97.2-111.8 19.8 5.5 -13.2 14.1 23 23 A G T < 5S+ 0 0 69 -3,-2.1 2,-0.6 1,-0.2 -2,-0.1 0.769 83.1 130.2 77.6 27.3 4.7 -16.9 13.6 24 24 A V B < -C 19 0B 5 -5,-1.7 -5,-2.4 -7,-0.1 -1,-0.2 -0.933 46.5-148.2-118.7 107.6 3.2 -16.6 10.2 25 25 A K > - 0 0 155 -2,-0.6 3,-1.6 -7,-0.2 -7,-0.1 -0.345 33.9 -81.9 -74.9 155.8 4.6 -19.0 7.6 26 26 A P T 3 S+ 0 0 81 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.234 116.2 37.3 -52.4 139.8 5.0 -18.2 3.9 27 27 A G T 3 S+ 0 0 42 -12,-2.9 2,-0.4 1,-0.3 -11,-0.2 0.305 78.8 136.0 97.3 -3.7 1.8 -18.8 2.1 28 28 A T < - 0 0 26 -3,-1.6 -1,-0.3 -13,-0.4 -10,-0.2 -0.587 51.2-129.6 -81.7 124.8 -0.6 -17.5 4.8 29 29 A S > - 0 0 29 -2,-0.4 3,-1.3 1,-0.1 4,-0.1 -0.324 19.8-114.4 -66.7 155.4 -3.3 -15.2 3.6 30 30 A F G > S+ 0 0 19 -28,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.884 116.7 58.6 -54.9 -41.3 -4.0 -11.9 5.2 31 31 A D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.731 102.7 54.1 -66.5 -19.4 -7.4 -13.1 6.4 32 32 A D G < S+ 0 0 119 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.2 0.245 78.6 124.1-100.1 13.7 -5.7 -15.9 8.3 33 33 A L S < S- 0 0 13 -3,-1.7 -9,-0.0 1,-0.1 -3,-0.0 -0.377 76.0 -88.8 -65.7 149.0 -3.4 -13.8 10.3 34 34 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.201 35.9-114.0 -55.5 150.8 -3.7 -14.2 14.0 35 35 A A T 3 S+ 0 0 100 1,-0.3 11,-0.2 -3,-0.1 -2,-0.1 0.797 116.2 47.3 -59.2 -31.2 -6.2 -12.0 15.7 36 36 A D T 3 S+ 0 0 137 9,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.374 82.1 124.8 -95.3 8.0 -3.5 -10.1 17.6 37 37 A W < - 0 0 9 -3,-2.0 9,-0.5 8,-0.0 2,-0.3 -0.418 36.8-176.7 -68.2 140.2 -1.1 -9.6 14.6 38 38 A V B -D 45 0C 67 7,-0.1 6,-0.1 -2,-0.1 -2,-0.0 -0.877 42.1 -70.5-128.7 164.5 -0.2 -5.9 13.9 39 39 A C > - 0 0 1 5,-2.8 4,-2.3 -2,-0.3 5,-0.0 -0.333 41.0-146.0 -54.9 127.2 1.9 -4.2 11.2 40 40 A P T 4 S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.718 94.2 47.8 -75.2 -17.2 5.5 -5.2 11.9 41 41 A V T 4 S+ 0 0 104 3,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.842 133.5 5.2 -86.2 -38.7 6.9 -1.9 10.8 42 42 A C T 4 S- 0 0 54 2,-0.1 -3,-0.1 -31,-0.0 -1,-0.0 0.586 89.7-116.4-127.7 -16.0 4.6 0.5 12.7 43 43 A G < + 0 0 44 -4,-2.3 0, 0.0 1,-0.3 0, 0.0 0.393 58.2 150.9 90.5 0.1 2.3 -1.4 15.0 44 44 A A - 0 0 9 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.3 -0.263 47.8-101.1 -67.3 156.7 -1.0 -0.4 13.4 45 45 A P B > -D 38 0C 57 0, 0.0 3,-2.0 0, 0.0 -7,-0.1 -0.293 23.6-115.6 -76.0 158.4 -4.0 -2.7 13.5 46 46 A K G > S+ 0 0 52 -9,-0.5 3,-2.0 1,-0.3 -8,-0.1 0.772 111.7 72.5 -59.8 -28.3 -5.2 -4.9 10.7 47 47 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.643 93.8 55.0 -64.1 -15.2 -8.3 -2.8 10.5 48 48 A E G < S+ 0 0 91 -3,-2.0 -41,-2.5 2,-0.1 2,-0.3 0.150 87.9 97.9-106.2 16.9 -6.2 -0.1 8.9 49 49 A F E < -B 6 0A 20 -3,-2.0 2,-0.3 -43,-0.2 -43,-0.2 -0.792 55.2-164.4 -94.2 151.5 -4.8 -2.3 6.1 50 50 A E E -B 5 0A 111 -45,-2.2 -45,-2.9 -2,-0.3 -2,-0.1 -0.938 33.2 -87.4-130.7 154.5 -6.4 -2.1 2.7 51 51 A A E B 4 0A 64 -2,-0.3 -47,-0.3 -47,-0.2 -49,-0.0 -0.375 360.0 360.0 -62.3 137.6 -6.1 -4.4 -0.3 52 52 A A 0 0 68 -49,-2.9 -49,-0.3 -2,-0.0 -1,-0.1 -0.471 360.0 360.0-124.0 360.0 -3.1 -3.5 -2.5