==== 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 1R0G . 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) . 3554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 60.4 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 . 6 11.3 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,-0.1 0.000 360.0 360.0 360.0 143.8 19.4 27.3 7.6 2 2 A K - 0 0 113 13,-0.1 28,-0.4 12,-0.1 2,-0.2 -0.565 360.0-123.2 -92.4 145.7 16.3 27.3 9.7 3 3 A K - 0 0 100 49,-0.4 49,-2.6 -2,-0.2 2,-0.3 -0.527 25.3-152.3 -74.9 153.8 15.8 28.6 13.2 4 4 A Y E -AB 13 51A 39 9,-1.8 9,-3.1 47,-0.2 2,-0.4 -0.952 3.7-148.7-127.7 146.9 14.5 26.2 15.9 5 5 A T E -AB 12 50A 37 45,-2.6 45,-2.1 -2,-0.3 2,-0.6 -0.939 18.2-122.5-120.5 142.6 12.5 27.0 19.0 6 6 A C E > - B 0 49A 1 5,-2.9 4,-1.8 -2,-0.4 43,-0.2 -0.722 20.1-155.4 -75.2 122.8 12.4 25.4 22.3 7 7 A T T 4 S+ 0 0 74 41,-2.6 -1,-0.1 -2,-0.6 42,-0.1 0.511 88.0 56.0 -84.3 -4.1 8.8 24.4 22.8 8 8 A V T 4 S+ 0 0 88 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.901 128.3 5.3 -85.7 -52.7 9.1 24.5 26.6 9 9 A C T 4 S- 0 0 63 2,-0.1 -2,-0.2 0, 0.0 -4,-0.0 0.647 94.5-112.2-112.5 -19.5 10.4 28.0 27.1 10 10 A G < + 0 0 45 -4,-1.8 -3,-0.1 1,-0.3 0, 0.0 0.332 57.2 154.3 102.3 -5.5 10.4 29.8 23.8 11 11 A Y - 0 0 41 -6,-0.1 -5,-2.9 1,-0.1 2,-0.5 -0.266 34.8-141.2 -54.1 139.2 14.2 30.2 23.3 12 12 A I E -A 5 0A 86 -7,-0.2 2,-0.6 37,-0.0 -7,-0.2 -0.936 2.5-148.5-110.1 123.3 15.1 30.5 19.6 13 13 A Y E -A 4 0A 0 -9,-3.1 -9,-1.8 -2,-0.5 17,-0.1 -0.828 15.2-166.1 -84.6 119.3 18.3 28.8 18.3 14 14 A N >> - 0 0 29 -2,-0.6 4,-2.1 4,-0.4 3,-1.4 -0.948 14.0-152.2-109.0 113.7 19.6 31.0 15.4 15 15 A P T 34 S+ 0 0 3 0, 0.0 12,-3.3 0, 0.0 13,-0.6 0.756 94.4 61.7 -60.0 -24.6 22.2 29.1 13.3 16 16 A E T 34 S+ 0 0 151 10,-0.2 13,-0.0 1,-0.2 -13,-0.0 0.799 115.4 32.0 -66.5 -33.1 23.8 32.5 12.4 17 17 A D T <4 S- 0 0 104 -3,-1.4 -1,-0.2 1,-0.2 -4,-0.0 0.722 91.3-172.4 -91.5 -29.6 24.6 33.2 16.1 18 18 A G < - 0 0 6 -4,-2.1 -4,-0.4 1,-0.2 7,-0.2 -0.284 42.5 -86.6 61.3-156.2 25.1 29.6 17.3 19 19 A D B > > +C 24 0B 16 5,-2.6 5,-2.0 -4,-0.1 3,-1.7 -0.551 54.9 171.3-141.5 67.0 25.6 29.0 21.0 20 20 A P G > 5 + 0 0 72 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.768 68.8 63.9 -61.1 -29.4 29.3 29.6 21.2 21 21 A D G 3 5S+ 0 0 156 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.745 109.0 43.0 -67.1 -22.7 29.6 29.6 25.0 22 22 A N G < 5S- 0 0 103 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.070 130.0 -94.3-108.3 21.4 28.4 26.0 25.0 23 23 A G T < 5S+ 0 0 59 -3,-1.7 2,-0.7 1,-0.2 -2,-0.1 0.596 85.5 127.6 85.6 10.9 30.6 25.0 22.1 24 24 A V B < -C 19 0B 5 -5,-2.0 -5,-2.6 9,-0.1 -1,-0.2 -0.880 49.5-147.7-102.9 105.9 28.2 25.5 19.2 25 25 A N > - 0 0 104 -2,-0.7 3,-1.3 -7,-0.2 -7,-0.2 -0.301 27.2 -87.0 -75.0 151.1 29.8 27.7 16.6 26 26 A P T 3 S+ 0 0 81 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.260 115.5 36.5 -46.2 139.0 28.1 30.3 14.4 27 27 A G T 3 S+ 0 0 46 -12,-3.3 2,-0.6 1,-0.3 -11,-0.2 0.523 81.1 140.1 88.7 7.8 26.9 28.5 11.2 28 28 A T < - 0 0 34 -3,-1.3 -1,-0.3 -13,-0.6 -10,-0.1 -0.768 49.8-133.2 -90.2 120.5 26.0 25.2 12.9 29 29 A D >> - 0 0 37 -2,-0.6 3,-1.3 1,-0.1 4,-0.5 -0.420 22.4-118.8 -63.9 142.2 22.8 23.6 11.6 30 30 A F G >4 S+ 0 0 13 -28,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.873 113.4 58.5 -52.5 -41.2 20.5 22.4 14.5 31 31 A K G 34 S+ 0 0 129 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.793 104.8 51.5 -61.7 -27.9 20.8 18.8 13.3 32 32 A D G <4 S+ 0 0 101 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.466 79.5 111.6 -92.4 -5.3 24.6 18.9 13.7 33 33 A I S << S- 0 0 1 -3,-1.4 -9,-0.1 -4,-0.5 4,-0.1 -0.545 88.9 -93.5 -62.6 130.3 24.6 20.3 17.2 34 34 A P > - 0 0 75 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.202 35.0-122.1 -48.4 140.1 25.9 17.4 19.4 35 35 A D T 3 S+ 0 0 137 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.427 106.6 63.7 -77.9 -0.1 22.9 15.5 20.7 36 36 A D T 3 S+ 0 0 140 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.362 77.6 116.4 -97.7 0.6 23.8 16.1 24.4 37 37 A W < - 0 0 17 -3,-2.0 9,-0.7 -4,-0.1 2,-0.3 -0.359 48.7-161.8 -67.0 145.8 23.3 19.8 24.0 38 38 A V B -D 45 0C 68 7,-0.2 7,-0.2 8,-0.1 6,-0.1 -0.912 33.9 -77.5-129.0 158.6 20.5 21.4 26.1 39 39 A C > - 0 0 2 5,-3.0 4,-1.4 -2,-0.3 7,-0.0 -0.328 36.6-139.8 -53.0 128.2 18.7 24.7 25.9 40 40 A P T 4 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.693 97.9 43.6 -65.5 -18.2 20.9 27.4 27.3 41 41 A L T 4 S+ 0 0 128 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.918 132.9 8.4 -94.4 -52.8 17.9 29.0 29.1 42 42 A C T 4 S- 0 0 56 2,-0.1 -3,-0.0 -31,-0.0 -1,-0.0 0.578 90.3-124.4-111.7 -11.9 15.9 26.2 30.6 43 43 A G < + 0 0 39 -4,-1.4 2,-0.1 1,-0.3 0, 0.0 0.479 56.8 141.8 86.6 5.5 18.1 23.1 30.2 44 44 A V - 0 0 40 1,-0.1 -5,-3.0 -6,-0.1 -1,-0.3 -0.385 51.9 -99.8 -74.4 158.9 15.7 20.7 28.3 45 45 A G B > -D 38 0C 26 -7,-0.2 3,-1.7 -2,-0.1 -7,-0.2 -0.122 31.9 -96.2 -77.9 174.0 17.1 18.5 25.5 46 46 A K G > S+ 0 0 27 -9,-0.7 3,-2.1 -11,-0.3 -1,-0.1 0.759 113.1 75.2 -58.5 -29.6 17.1 18.8 21.7 47 47 A D G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -41,-0.0 -2,-0.0 0.552 89.3 58.8 -68.0 -6.0 14.0 16.6 21.5 48 48 A Q G < S+ 0 0 79 -3,-1.7 -41,-2.6 2,-0.0 -1,-0.3 0.311 89.0 94.2-101.7 9.4 11.8 19.5 22.7 49 49 A F E < -B 6 0A 15 -3,-2.1 2,-0.3 -43,-0.2 -43,-0.2 -0.699 55.3-164.5 -99.7 150.3 12.8 21.8 19.9 50 50 A E E -B 5 0A 131 -45,-2.1 -45,-2.6 -2,-0.3 -2,-0.0 -0.982 27.8 -99.2-133.6 149.5 10.9 22.2 16.6 51 51 A E E -B 4 0A 81 -2,-0.3 2,-0.7 -47,-0.2 -47,-0.2 -0.364 27.9-136.9 -59.0 137.3 11.7 23.8 13.3 52 52 A V 0 0 58 -49,-2.6 -49,-0.4 -2,-0.0 -1,-0.1 -0.920 360.0 360.0 -93.7 115.3 10.4 27.3 12.8 53 53 A E 0 0 187 -2,-0.7 -50,-0.0 -51,-0.1 -49,-0.0 -0.221 360.0 360.0 -83.3 360.0 9.1 27.2 9.2