==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 20-MAY-98 1BE7 . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR M.MAHER,J.M.GUSS,M.WILCE,A.G.WEDD . 54 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 59.3 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 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 5.6 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 . 6 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 7.4 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 0 121 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 153.8 19.4 27.4 7.3 2 2 A K - 0 0 72 13,-0.1 28,-0.4 12,-0.1 2,-0.2 -0.583 360.0-124.8 -91.5 151.6 16.3 27.3 9.4 3 3 A K - 0 0 101 49,-0.4 49,-3.0 -2,-0.2 2,-0.4 -0.533 24.3-154.8 -84.5 148.1 15.8 28.7 12.9 4 4 A Y E -AB 13 51A 37 9,-1.7 9,-3.4 47,-0.3 2,-0.4 -0.990 2.8-148.9-123.5 144.6 14.5 26.2 15.6 5 5 A T E -AB 12 50A 31 45,-2.8 45,-2.0 -2,-0.4 2,-0.6 -0.903 18.4-121.9-120.6 140.6 12.6 27.1 18.7 6 6 A C E > - B 0 49A 1 5,-3.0 4,-2.4 -2,-0.4 3,-0.3 -0.721 19.8-155.4 -69.9 119.4 12.6 25.4 22.1 7 7 A T T 4 S+ 0 0 73 41,-2.7 -1,-0.2 -2,-0.6 42,-0.1 0.670 88.6 55.5 -78.2 -9.8 8.9 24.5 22.6 8 8 A V T 4 S+ 0 0 82 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.858 129.8 5.3 -81.2 -40.7 9.4 24.5 26.5 9 9 A C T 4 S- 0 0 58 -3,-0.3 -2,-0.2 2,-0.1 -4,-0.0 0.660 93.4-114.0-131.1 -5.7 10.7 28.0 26.9 10 10 A G < + 0 0 43 -4,-2.4 -3,-0.1 1,-0.3 0, 0.0 0.321 56.1 155.2 86.3 -4.0 10.6 29.9 23.5 11 11 A Y - 0 0 42 -6,-0.1 -5,-3.0 -5,-0.1 2,-0.5 -0.263 35.4-140.0 -49.8 138.8 14.4 30.2 23.0 12 12 A I E -A 5 0A 79 -7,-0.2 2,-0.7 -9,-0.0 -7,-0.2 -0.941 3.6-148.3-109.4 121.5 15.3 30.5 19.3 13 13 A Y E -A 4 0A 0 -9,-3.4 -9,-1.7 -2,-0.5 17,-0.1 -0.785 16.2-167.5 -83.9 120.4 18.3 28.8 17.9 14 14 A N >> - 0 0 36 -2,-0.7 4,-1.8 4,-0.4 3,-1.6 -0.945 15.0-152.1-111.1 115.2 19.6 30.9 15.1 15 15 A P T 34 S+ 0 0 4 0, 0.0 12,-3.3 0, 0.0 13,-0.6 0.743 94.0 62.2 -59.8 -26.6 22.2 29.2 12.9 16 16 A E T 34 S+ 0 0 153 10,-0.2 13,-0.0 1,-0.2 -13,-0.0 0.789 115.6 31.4 -66.0 -33.7 23.8 32.5 12.0 17 17 A D T <4 S- 0 0 96 -3,-1.6 -1,-0.2 1,-0.2 7,-0.1 0.631 90.2-171.3 -91.6 -30.6 24.7 33.1 15.6 18 18 A G < - 0 0 6 -4,-1.8 -4,-0.4 7,-0.2 7,-0.2 -0.177 42.6 -84.7 65.5-153.2 25.2 29.6 16.9 19 19 A D B > > +C 24 0B 15 5,-2.7 5,-2.2 -4,-0.1 3,-1.5 -0.557 54.1 173.3-146.3 65.5 25.6 29.1 20.6 20 20 A P G > 5 + 0 0 72 0, 0.0 3,-2.0 0, 0.0 5,-0.1 0.832 69.4 63.4 -59.9 -30.7 29.4 29.7 20.9 21 21 A D G 3 5S+ 0 0 155 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.783 109.5 42.8 -65.3 -23.4 29.6 29.6 24.7 22 22 A N G < 5S- 0 0 101 -3,-1.5 -1,-0.3 2,-0.2 3,-0.1 0.087 129.0 -94.3-108.0 22.4 28.5 26.0 24.6 23 23 A G T < 5S+ 0 0 58 -3,-2.0 2,-0.8 1,-0.2 -2,-0.1 0.623 85.4 126.6 86.1 11.0 30.7 25.1 21.6 24 24 A V B < -C 19 0B 5 -5,-2.2 -5,-2.7 -7,-0.1 -1,-0.2 -0.890 49.0-150.3-107.6 102.5 28.3 25.5 18.8 25 25 A N > - 0 0 100 -2,-0.8 3,-1.3 -7,-0.2 -7,-0.2 -0.372 27.7 -84.7 -72.4 156.1 29.9 27.9 16.2 26 26 A P T 3 S+ 0 0 80 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.189 114.5 36.6 -47.4 139.9 28.1 30.3 13.9 27 27 A G T 3 S+ 0 0 48 -12,-3.3 2,-0.6 1,-0.3 -11,-0.2 0.514 80.4 138.4 89.3 6.8 26.9 28.6 10.7 28 28 A T < - 0 0 33 -3,-1.3 -1,-0.3 -13,-0.6 -10,-0.1 -0.768 49.8-135.8 -90.7 120.6 26.0 25.3 12.4 29 29 A D >> - 0 0 47 -2,-0.6 3,-1.4 1,-0.1 4,-0.6 -0.401 23.5-115.5 -65.8 147.4 22.8 23.8 11.1 30 30 A F G >4 S+ 0 0 14 -28,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.847 114.3 59.6 -55.0 -39.4 20.6 22.4 14.0 31 31 A K G 34 S+ 0 0 145 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.801 104.3 52.6 -60.9 -27.2 20.8 18.8 12.7 32 32 A D G <4 S+ 0 0 99 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.531 79.5 109.7 -88.1 -5.6 24.6 19.1 13.2 33 33 A I S << S- 0 0 2 -3,-1.2 -9,-0.1 -4,-0.6 13,-0.0 -0.511 87.7 -96.1 -65.6 134.1 24.6 20.3 16.8 34 34 A P > - 0 0 77 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.263 33.4-121.7 -51.6 142.2 25.9 17.5 19.0 35 35 A D T 3 S+ 0 0 136 1,-0.3 11,-0.3 -4,-0.1 -2,-0.1 0.487 106.4 63.6 -75.8 2.0 22.9 15.6 20.4 36 36 A D T 3 S+ 0 0 141 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.399 77.0 114.3-101.0 4.9 23.9 16.1 24.0 37 37 A W < - 0 0 17 -3,-2.3 9,-0.7 1,-0.0 2,-0.3 -0.422 50.9-159.5 -72.7 146.2 23.5 19.9 23.7 38 38 A V B -D 45 0C 69 7,-0.2 7,-0.2 -2,-0.1 6,-0.1 -0.882 31.3 -80.5-125.3 156.5 20.6 21.4 25.7 39 39 A C > - 0 0 2 5,-2.8 4,-1.9 -2,-0.3 6,-0.0 -0.346 36.5-135.3 -54.5 131.0 18.6 24.7 25.5 40 40 A P T 4 S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.816 100.1 35.9 -61.8 -29.3 20.7 27.5 27.0 41 41 A L T 4 S+ 0 0 129 1,-0.1 -2,-0.1 3,-0.1 -3,-0.0 0.888 130.7 21.9 -90.9 -46.3 17.6 28.8 28.9 42 42 A S T 4 S- 0 0 41 2,-0.1 -1,-0.1 -31,-0.0 -3,-0.0 0.564 89.0-130.2-103.9 -14.5 15.5 25.8 30.0 43 43 A G < + 0 0 46 -4,-1.9 2,-0.1 1,-0.2 0, 0.0 0.549 58.3 138.1 79.5 10.1 18.1 23.0 29.9 44 44 A V - 0 0 37 1,-0.1 -5,-2.8 -6,-0.1 -1,-0.2 -0.440 52.6 -99.7 -91.4 161.0 15.9 20.6 27.8 45 45 A G B > -D 38 0C 26 -7,-0.2 3,-2.0 -2,-0.1 -7,-0.2 -0.113 32.8 -97.7 -77.8 172.7 17.2 18.5 25.0 46 46 A K G > S+ 0 0 28 -9,-0.7 3,-2.0 -11,-0.3 -1,-0.1 0.800 113.7 74.4 -56.9 -28.4 17.1 18.9 21.2 47 47 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -41,-0.0 -2,-0.0 0.666 89.5 58.8 -68.6 -8.8 14.0 16.6 21.0 48 48 A Q G < S+ 0 0 77 -3,-2.0 -41,-2.7 2,-0.0 -1,-0.3 0.322 91.8 90.7 -96.8 12.8 11.8 19.5 22.4 49 49 A F E < -B 6 0A 20 -3,-2.0 2,-0.3 -43,-0.2 -43,-0.2 -0.687 54.5-169.9-100.7 157.2 12.7 21.8 19.6 50 50 A E E -B 5 0A 121 -45,-2.0 -45,-2.8 -2,-0.3 -2,-0.0 -0.993 31.1 -90.6-143.7 154.2 11.0 22.3 16.3 51 51 A E E -B 4 0A 84 -2,-0.3 2,-0.8 -47,-0.2 -47,-0.3 -0.301 30.5-130.5 -55.5 137.4 11.7 24.1 13.0 52 52 A V - 0 0 57 -49,-3.0 -49,-0.4 2,-0.0 2,-0.4 -0.870 31.8-165.4 -87.9 107.5 10.5 27.7 12.6 53 53 A E 0 0 136 -2,-0.8 -49,-0.0 -51,-0.1 -3,-0.0 -0.836 360.0 360.0 -96.4 141.9 8.7 27.5 9.3 54 54 A E 0 0 227 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.913 360.0 360.0-106.5 360.0 7.8 30.7 7.5