==== 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 TRANSPORT 22-SEP-03 1R0J . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR M.MAHER,M.CROSS,M.C.J.WILCE,J.M.GUSS,A.G.WEDD . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 58.5 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 20.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 5.7 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 . 5 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 7.5 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 0 129 0, 0.0 2,-0.2 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 147.0 19.4 27.3 7.5 2 2 A K - 0 0 109 1,-0.1 28,-0.3 13,-0.1 2,-0.2 -0.532 360.0-121.0 -87.2 148.4 16.3 27.3 9.6 3 3 A K - 0 0 103 49,-0.4 49,-2.1 -2,-0.2 2,-0.3 -0.517 25.5-154.7 -74.0 154.2 15.7 28.7 13.1 4 4 A Y E -AB 13 51A 45 9,-1.9 9,-3.5 47,-0.2 2,-0.4 -0.990 3.0-150.2-131.7 143.3 14.5 26.2 15.8 5 5 A T E -AB 12 50A 28 45,-2.2 45,-2.2 -2,-0.3 2,-0.8 -0.927 19.3-123.4-119.3 132.5 12.5 27.1 18.9 6 6 A C E > - B 0 49A 0 5,-2.5 4,-3.0 -2,-0.4 3,-0.3 -0.668 22.2-156.2 -66.2 111.2 12.5 25.4 22.3 7 7 A T T 4 S+ 0 0 78 41,-1.8 -1,-0.1 -2,-0.8 42,-0.1 0.374 87.2 56.6 -78.1 5.0 8.8 24.5 22.7 8 8 A V T 4 S+ 0 0 89 3,-0.1 -1,-0.2 40,-0.1 41,-0.1 0.777 130.5 5.1 -95.0 -40.1 9.1 24.4 26.5 9 9 A C T 4 S- 0 0 57 -3,-0.3 -2,-0.2 2,-0.1 -4,-0.0 0.555 95.5-115.1-125.0 -15.9 10.5 27.9 27.0 10 10 A G < + 0 0 39 -4,-3.0 -3,-0.1 1,-0.3 0, 0.0 0.309 52.8 159.5 97.5 -8.9 10.6 29.6 23.6 11 11 A Y - 0 0 43 -6,-0.1 -5,-2.5 -5,-0.1 2,-0.6 -0.113 33.6-139.8 -40.2 139.1 14.3 30.1 23.2 12 12 A I E -A 5 0A 82 -7,-0.2 2,-0.6 2,-0.0 -7,-0.2 -0.967 5.2-150.9-112.1 112.8 15.1 30.6 19.5 13 13 A Y E -A 4 0A 0 -9,-3.5 -9,-1.9 -2,-0.6 17,-0.1 -0.771 14.4-165.5 -76.1 121.3 18.2 28.8 18.2 14 14 A N >> - 0 0 52 -2,-0.6 4,-2.6 4,-0.3 3,-1.7 -0.941 13.7-152.0-112.6 115.2 19.5 30.9 15.3 15 15 A P T 34 S+ 0 0 2 0, 0.0 12,-1.9 0, 0.0 13,-0.7 0.902 94.2 59.3 -52.0 -47.2 22.1 29.1 13.1 16 16 A E T 34 S+ 0 0 153 1,-0.2 13,-0.1 10,-0.2 -13,-0.0 0.649 117.8 32.3 -59.0 -20.4 23.8 32.4 12.1 17 17 A D T <4 S- 0 0 107 -3,-1.7 -1,-0.2 9,-0.1 -4,-0.0 0.677 90.7-176.6-102.9 -33.2 24.6 33.1 15.8 18 18 A G < - 0 0 9 -4,-2.6 -4,-0.3 1,-0.2 7,-0.2 -0.201 44.5 -82.0 64.4-159.0 25.0 29.6 17.1 19 19 A D B > > +C 24 0B 16 5,-2.5 3,-1.9 1,-0.1 5,-1.8 -0.488 54.5 169.7-138.1 61.3 25.6 29.0 20.8 20 20 A P G > 5S+ 0 0 69 0, 0.0 3,-1.6 0, 0.0 5,-0.1 0.762 70.4 63.6 -47.1 -35.7 29.4 29.6 21.0 21 21 A D G 3 5S+ 0 0 159 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.764 110.1 40.2 -66.7 -24.4 29.5 29.6 24.9 22 22 A N G < 5S- 0 0 102 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 0.161 130.1 -94.4-106.3 15.9 28.4 25.9 24.9 23 23 A G T < 5S+ 0 0 57 -3,-1.6 2,-0.8 1,-0.2 -2,-0.1 0.510 86.3 124.6 92.2 7.1 30.6 25.1 21.9 24 24 A V B < -C 19 0B 5 -5,-1.8 -5,-2.5 9,-0.1 -1,-0.2 -0.874 51.3-149.9-101.6 102.8 28.2 25.4 18.9 25 25 A N > - 0 0 105 -2,-0.8 3,-1.1 -7,-0.2 -7,-0.1 -0.284 29.0 -83.4 -71.7 157.2 29.9 27.9 16.6 26 26 A P T 3 S+ 0 0 80 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.283 115.8 42.3 -52.0 145.0 28.1 30.3 14.3 27 27 A G T 3 S+ 0 0 48 -12,-1.9 2,-0.5 1,-0.3 -11,-0.2 0.407 80.7 140.7 94.4 1.1 27.0 28.6 11.1 28 28 A T < - 0 0 37 -3,-1.1 -1,-0.3 -13,-0.7 -10,-0.2 -0.683 49.1-133.7 -92.0 123.7 25.9 25.4 12.7 29 29 A D >> - 0 0 61 -2,-0.5 3,-1.1 1,-0.1 4,-0.7 -0.471 22.5-122.8 -63.0 138.3 22.8 23.5 11.4 30 30 A F G >4 S+ 0 0 14 -28,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.899 112.0 58.7 -52.9 -40.6 20.5 22.5 14.3 31 31 A K G 34 S+ 0 0 143 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.755 104.8 50.0 -64.2 -27.0 20.8 18.8 13.1 32 32 A D G <4 S+ 0 0 87 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.479 80.7 111.8 -91.3 -7.5 24.6 18.9 13.5 33 33 A I S << S- 0 0 2 -3,-1.4 -9,-0.1 -4,-0.7 4,-0.0 -0.517 88.8 -91.9 -60.9 132.6 24.6 20.3 17.0 34 34 A P > - 0 0 75 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.172 33.0-124.3 -41.3 137.1 25.8 17.5 19.3 35 35 A D T 3 S+ 0 0 143 1,-0.3 12,-0.1 -3,-0.1 11,-0.1 0.274 106.5 63.9 -77.9 10.0 22.9 15.5 20.6 36 36 A D T 3 S+ 0 0 138 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.353 77.0 117.4-106.3 3.0 23.9 16.0 24.2 37 37 A W < - 0 0 18 -3,-1.6 9,-0.8 -4,-0.0 2,-0.4 -0.445 49.6-157.3 -69.2 138.8 23.3 19.8 23.9 38 38 A V B -D 45 0C 75 7,-0.2 7,-0.2 -2,-0.1 6,-0.1 -0.967 32.8 -87.0-120.1 136.4 20.6 21.4 26.1 39 39 A C > - 0 0 1 5,-2.2 4,-1.6 -2,-0.4 -1,-0.0 -0.045 36.5-135.3 -30.1 123.4 18.6 24.6 25.6 40 40 A P T 4 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -21,-0.0 0.884 99.3 42.3 -59.6 -38.3 20.7 27.4 27.2 41 41 A L T 4 S+ 0 0 132 1,-0.1 -2,-0.1 3,-0.0 -3,-0.0 0.940 133.7 11.3 -76.8 -48.0 17.7 29.0 29.0 42 42 A C T 4 S- 0 0 52 2,-0.1 -1,-0.1 0, 0.0 -3,-0.1 0.625 89.2-127.3-112.0 -18.1 15.7 26.0 30.3 43 43 A G < + 0 0 37 -4,-1.6 2,-0.1 1,-0.2 -2,-0.0 0.511 57.6 137.2 89.2 6.5 18.0 23.0 29.9 44 44 A V - 0 0 37 1,-0.1 -5,-2.2 -6,-0.1 -1,-0.2 -0.310 54.0 -98.2 -80.1 171.5 15.7 20.6 28.0 45 45 A G B > -D 38 0C 23 -7,-0.2 3,-2.4 1,-0.1 4,-0.2 -0.384 30.2 -97.5 -97.0 168.9 17.1 18.6 25.1 46 46 A K G > S+ 0 0 28 -9,-0.8 3,-3.1 1,-0.3 -8,-0.1 0.820 114.4 75.2 -47.8 -38.6 17.0 19.0 21.3 47 47 A D G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -12,-0.1 -12,-0.0 0.639 91.5 54.1 -56.6 -16.7 14.0 16.6 21.3 48 48 A Q G < S+ 0 0 81 -3,-2.4 -41,-1.8 2,-0.0 -1,-0.3 0.419 91.0 98.9 -92.9 4.1 11.8 19.4 22.6 49 49 A F E < -B 6 0A 16 -3,-3.1 2,-0.4 -43,-0.2 -43,-0.2 -0.661 55.9-160.9 -94.4 144.0 12.8 21.8 19.7 50 50 A E E -B 5 0A 137 -45,-2.2 -45,-2.2 -2,-0.3 -2,-0.0 -0.989 24.3-108.4-126.4 136.2 10.7 22.3 16.6 51 51 A E E -B 4 0A 78 -2,-0.4 2,-0.7 -47,-0.2 -47,-0.2 -0.250 29.4-130.9 -50.1 138.1 11.7 23.7 13.3 52 52 A V 0 0 52 -49,-2.1 -49,-0.4 0, 0.0 -1,-0.1 -0.902 360.0 360.0 -98.5 107.6 10.3 27.2 12.6 53 53 A E 0 0 176 -2,-0.7 -49,-0.0 -51,-0.1 0, 0.0 -0.572 360.0 360.0 -99.4 360.0 8.6 27.2 9.1