==== 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 ELECTRON TRANSFER(IRON-SULFUR PROTEIN) 17-MAR-88 1RDG . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR M.FREY,L.C.SIEKER,F.PAYAN . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 53.8 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 . 4 7.7 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 M 0 0 151 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 116.0 -4.9 -13.5 -4.0 2 2 A D - 0 0 66 13,-0.1 28,-0.4 12,-0.0 2,-0.3 -0.577 360.0-145.7 -90.6 135.8 -4.7 -10.0 -2.6 3 3 A I - 0 0 56 49,-0.4 49,-2.8 -2,-0.3 2,-0.4 -0.733 23.0-151.8 -86.4 141.6 -1.8 -7.9 -1.3 4 4 A Y E -AB 13 51A 29 9,-1.9 9,-2.8 -2,-0.3 2,-0.4 -0.902 2.4-146.4-119.1 147.1 -2.8 -5.6 1.6 5 5 A V E -AB 12 50A 18 45,-3.3 45,-2.4 -2,-0.4 2,-0.5 -0.945 17.2-121.5-121.0 135.2 -1.2 -2.3 2.4 6 6 A C E > - B 0 49A 1 5,-3.0 4,-2.3 -2,-0.4 43,-0.2 -0.616 16.8-154.8 -67.7 119.3 -0.8 -0.7 5.9 7 7 A T T 4 S+ 0 0 83 41,-2.6 -1,-0.2 -2,-0.5 42,-0.1 0.661 90.8 54.0 -72.7 -17.3 -2.5 2.7 5.7 8 8 A V T 4 S+ 0 0 99 40,-0.2 -1,-0.2 3,-0.1 41,-0.0 0.921 131.6 0.9 -78.8 -48.7 -0.2 4.0 8.5 9 9 A C T 4 S- 0 0 56 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.549 91.2-113.9-125.4 -7.7 3.2 3.2 7.0 10 10 A G < + 0 0 41 -4,-2.3 -3,-0.1 1,-0.3 39,-0.0 0.370 57.1 153.1 86.0 -1.5 2.8 1.6 3.6 11 11 A Y - 0 0 55 -6,-0.1 -5,-3.0 1,-0.1 2,-0.5 -0.298 38.8-134.3 -59.3 142.2 4.2 -1.9 4.4 12 12 A E E -A 5 0A 95 -7,-0.2 2,-0.7 37,-0.1 -7,-0.2 -0.909 3.0-145.3-106.2 122.7 2.7 -4.5 2.2 13 13 A Y E -A 4 0A 0 -9,-2.8 -9,-1.9 -2,-0.5 17,-0.1 -0.806 20.5-165.6 -80.6 115.4 1.4 -7.8 3.6 14 14 A D >> - 0 0 42 -2,-0.7 4,-1.9 4,-0.4 3,-1.8 -0.945 14.2-155.9-107.8 111.2 2.2 -10.3 0.8 15 15 A P T 34 S+ 0 0 2 0, 0.0 12,-3.0 0, 0.0 13,-0.4 0.772 93.4 62.3 -56.7 -30.3 0.4 -13.7 1.2 16 16 A A T 34 S+ 0 0 61 10,-0.2 13,-0.1 1,-0.2 -13,-0.0 0.751 115.1 33.7 -67.4 -21.4 3.1 -15.5 -0.8 17 17 A K T <4 S- 0 0 143 -3,-1.8 -1,-0.2 9,-0.2 7,-0.1 0.707 88.2-172.6-104.1 -28.2 5.6 -14.5 1.9 18 18 A G < - 0 0 5 -4,-1.9 -4,-0.4 10,-0.2 7,-0.2 -0.315 40.8 -83.6 61.6-148.4 3.5 -14.6 5.0 19 19 A D B > > -C 24 0B 13 5,-2.2 3,-2.0 -4,-0.1 5,-1.9 -0.555 41.0-177.1-155.9 79.6 5.2 -13.2 8.2 20 20 A P G > 5S+ 0 0 90 0, 0.0 3,-2.2 0, 0.0 5,-0.1 0.841 79.8 64.7 -54.6 -34.5 7.3 -15.9 9.8 21 21 A D G 3 5S+ 0 0 159 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.750 106.8 43.3 -60.5 -27.4 8.3 -13.6 12.8 22 22 A S G < 5S- 0 0 68 -3,-2.0 -1,-0.3 2,-0.2 3,-0.1 0.186 126.3 -98.2-100.3 12.6 4.7 -13.6 13.9 23 23 A G T < 5S+ 0 0 68 -3,-2.2 2,-0.6 1,-0.2 -2,-0.1 0.785 81.0 136.8 77.8 28.2 4.1 -17.3 13.3 24 24 A I B < -C 19 0B 16 -5,-1.9 -5,-2.2 -7,-0.1 -1,-0.2 -0.916 44.1-145.2-113.1 110.1 2.5 -16.8 9.9 25 25 A K > - 0 0 164 -2,-0.6 3,-1.5 -7,-0.2 -7,-0.1 -0.338 32.1 -84.1 -72.4 155.1 3.7 -19.2 7.2 26 26 A P T 3 S+ 0 0 86 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.287 114.8 35.7 -53.4 138.5 4.1 -18.4 3.6 27 27 A G T 3 S+ 0 0 48 -12,-3.0 2,-0.5 1,-0.3 -11,-0.2 0.322 77.8 140.0 94.2 3.1 0.8 -18.7 1.7 28 28 A T < - 0 0 35 -3,-1.5 -1,-0.3 -13,-0.4 -10,-0.2 -0.614 49.3-131.4 -78.5 122.0 -1.5 -17.4 4.5 29 29 A K > - 0 0 110 -2,-0.5 3,-1.4 1,-0.1 4,-0.3 -0.329 19.7-114.2 -70.4 153.2 -4.2 -15.2 3.1 30 30 A F G > S+ 0 0 21 -28,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.878 115.6 61.9 -53.8 -40.5 -4.8 -11.8 4.8 31 31 A E G 3 S+ 0 0 106 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.788 100.1 55.9 -60.6 -23.8 -8.3 -13.0 6.0 32 32 A D G < S+ 0 0 121 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.396 80.3 109.1 -92.0 0.2 -6.6 -15.8 8.0 33 33 A L S < S- 0 0 6 -3,-1.9 -9,-0.0 -4,-0.3 -3,-0.0 -0.619 77.9-111.1 -70.9 141.1 -4.4 -13.5 10.0 34 34 A P > - 0 0 62 0, 0.0 3,-1.8 0, 0.0 12,-0.1 -0.311 24.0-114.8 -65.4 156.7 -5.5 -13.3 13.6 35 35 A D T 3 S+ 0 0 101 1,-0.3 11,-0.4 11,-0.1 12,-0.3 0.627 115.0 61.9 -71.8 -12.9 -6.9 -10.0 14.7 36 36 A D T 3 S+ 0 0 140 9,-0.1 -1,-0.3 10,-0.1 2,-0.2 0.374 77.2 117.0 -89.4 2.3 -4.0 -9.4 17.1 37 37 A W < - 0 0 7 -3,-1.8 9,-1.5 8,-0.0 2,-0.3 -0.469 49.6-163.6 -68.9 141.2 -1.5 -9.4 14.1 38 38 A A B -D 45 0C 38 7,-0.2 7,-0.2 -2,-0.2 6,-0.1 -0.912 29.9 -89.0-128.5 154.2 0.3 -6.1 13.8 39 39 A C > - 0 0 3 5,-3.1 4,-2.0 -2,-0.3 7,-0.0 -0.390 33.6-141.1 -57.3 126.2 2.2 -4.4 11.0 40 40 A P T 4 S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.784 96.6 44.6 -63.8 -26.1 5.9 -5.5 11.4 41 41 A V T 4 S+ 0 0 105 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.890 131.9 10.6 -87.4 -40.8 7.2 -2.0 10.4 42 42 A C T 4 S- 0 0 54 2,-0.1 -1,-0.1 -31,-0.0 -3,-0.0 0.551 89.7-120.7-120.5 -11.6 5.0 0.3 12.4 43 43 A G < + 0 0 52 -4,-2.0 0, 0.0 1,-0.3 0, 0.0 0.393 57.3 148.9 86.6 -5.2 2.9 -1.7 14.9 44 44 A A - 0 0 22 1,-0.1 -5,-3.1 -6,-0.1 -1,-0.3 -0.270 51.8 -95.9 -61.9 151.0 -0.5 -0.7 13.6 45 45 A S B > -D 38 0C 57 -7,-0.2 3,-2.5 1,-0.1 -7,-0.2 -0.179 29.5-107.6 -66.4 158.7 -3.4 -3.3 13.8 46 46 A K G > S+ 0 0 21 -9,-1.5 3,-1.8 -11,-0.4 -1,-0.1 0.867 118.0 65.4 -51.6 -36.4 -4.4 -5.6 11.1 47 47 A D G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -12,-0.3 -9,-0.1 0.530 86.9 69.9 -74.9 -2.6 -7.6 -3.5 10.7 48 48 A A G < S+ 0 0 23 -3,-2.5 -41,-2.6 2,-0.0 -1,-0.3 0.367 83.4 96.4 -85.2 0.2 -5.4 -0.6 9.5 49 49 A F E < -B 6 0A 18 -3,-1.8 2,-0.3 -43,-0.2 -43,-0.2 -0.671 55.6-164.9 -92.5 149.1 -4.7 -2.5 6.3 50 50 A E E -B 5 0A 110 -45,-2.4 -45,-3.3 -2,-0.2 2,-0.2 -0.926 33.1 -94.6-128.0 154.6 -6.5 -2.0 3.0 51 51 A K E B 4 0A 121 -2,-0.3 -47,-0.3 -47,-0.2 -49,-0.0 -0.466 360.0 360.0 -68.5 132.0 -6.6 -4.2 -0.1 52 52 A Q 0 0 154 -49,-2.8 -49,-0.4 -2,-0.2 -1,-0.1 -0.731 360.0 360.0 -79.3 360.0 -4.0 -2.9 -2.7