==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER(IRON-SULFUR PROTEIN) 15-OCT-84 4RXN . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR K.D.WATENPAUGH,L.C.SIEKER,L.H.JENSEN . 54 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 61.1 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 . 7 13.0 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 0 146 0, 0.0 15,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 125.3 19.7 27.2 7.1 2 2 A K - 0 0 100 12,-0.1 28,-0.4 13,-0.1 2,-0.2 -0.326 360.0-118.8-105.1 155.7 16.5 27.3 9.3 3 3 A K - 0 0 103 49,-0.4 49,-2.8 11,-0.1 2,-0.3 -0.546 23.5-157.5 -78.6 151.2 15.7 28.5 12.8 4 4 A Y E -AB 13 51A 39 9,-1.7 9,-3.2 47,-0.3 2,-0.4 -0.997 3.8-147.9-124.4 144.5 14.5 26.2 15.5 5 5 A T E -AB 12 50A 36 45,-2.8 45,-2.5 -2,-0.3 2,-0.7 -0.873 19.5-124.4-120.6 143.8 12.6 27.0 18.8 6 6 A C E > - B 0 49A 1 5,-3.1 4,-2.5 -2,-0.4 43,-0.2 -0.735 22.7-156.8 -72.3 119.5 12.6 25.4 22.1 7 7 A T T 4 S+ 0 0 74 41,-2.5 -1,-0.1 -2,-0.7 42,-0.1 0.620 88.4 56.7 -78.7 -11.5 8.8 24.5 22.6 8 8 A V T 4 S+ 0 0 86 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.864 129.2 5.2 -90.9 -34.7 9.2 24.4 26.3 9 9 A C T 4 S- 0 0 56 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.620 93.8-112.8-125.6 -11.3 10.6 28.0 26.9 10 10 A G < + 0 0 44 -4,-2.5 -3,-0.1 1,-0.3 0, 0.0 0.389 58.9 153.3 98.2 -10.7 10.5 29.9 23.4 11 11 A Y - 0 0 42 -6,-0.1 -5,-3.1 -5,-0.1 2,-0.5 -0.238 35.1-142.3 -53.5 139.0 14.3 30.2 23.0 12 12 A I E -A 5 0A 76 -7,-0.2 2,-0.7 37,-0.1 -7,-0.2 -0.956 5.3-146.4-112.2 123.2 15.2 30.4 19.5 13 13 A Y E -A 4 0A 0 -9,-3.2 -9,-1.7 -2,-0.5 17,-0.1 -0.836 14.9-168.5 -84.2 127.2 18.2 28.8 17.9 14 14 A D >> - 0 0 34 -2,-0.7 3,-1.8 4,-0.4 4,-1.7 -0.956 17.3-148.5-112.8 103.2 19.6 30.9 15.0 15 15 A P T 34 S+ 0 0 2 0, 0.0 12,-3.2 0, 0.0 13,-0.6 0.717 93.0 61.9 -51.1 -26.7 22.2 29.0 13.0 16 16 A E T 34 S+ 0 0 148 1,-0.2 13,-0.0 10,-0.2 -3,-0.0 0.807 112.4 34.2 -65.0 -24.1 23.9 32.4 12.2 17 17 A D T <4 S- 0 0 99 -3,-1.8 -1,-0.2 1,-0.1 -4,-0.0 0.506 91.2-171.6 -91.3 -31.9 24.5 33.0 15.3 18 18 A G < - 0 0 7 -4,-1.7 -4,-0.4 7,-0.2 7,-0.2 -0.021 42.2 -89.1 68.6-143.4 25.1 29.6 16.8 19 19 A D B > > +C 24 0B 15 5,-2.2 5,-1.9 -4,-0.1 3,-1.4 -0.568 51.1 174.0-154.8 66.8 25.5 29.0 20.6 20 20 A P G > 5 + 0 0 66 0, 0.0 3,-2.0 0, 0.0 5,-0.1 0.871 68.7 64.4 -58.3 -39.4 29.3 29.6 20.9 21 21 A D G 3 5S+ 0 0 155 1,-0.3 4,-0.1 3,-0.1 -2,-0.0 0.845 107.6 45.5 -47.6 -25.0 29.5 29.4 24.7 22 22 A D G < 5S- 0 0 92 -3,-1.4 -1,-0.3 2,-0.2 3,-0.1 0.268 127.2 -96.5-104.7 18.2 28.4 26.0 24.4 23 23 A G T < 5S+ 0 0 58 -3,-2.0 2,-0.7 1,-0.2 -2,-0.1 0.540 85.1 125.7 84.7 14.5 30.6 25.0 21.7 24 24 A V B < -C 19 0B 4 -5,-1.9 -5,-2.2 9,-0.1 -1,-0.2 -0.888 48.9-152.0-110.0 100.2 28.1 25.5 18.8 25 25 A N > - 0 0 105 -2,-0.7 3,-1.1 -7,-0.2 -7,-0.2 -0.502 28.2 -81.9 -73.7 156.5 29.8 27.8 16.3 26 26 A P T 3 S+ 0 0 80 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.159 116.0 34.4 -51.0 145.0 28.0 30.1 13.9 27 27 A G T 3 S+ 0 0 44 -12,-3.2 2,-0.6 1,-0.3 -11,-0.1 0.551 79.9 137.2 81.2 8.1 26.8 28.5 10.9 28 28 A T < - 0 0 31 -3,-1.1 -1,-0.3 -13,-0.6 -10,-0.2 -0.777 49.6-136.3 -89.5 119.6 26.0 25.1 12.5 29 29 A D >> - 0 0 40 -2,-0.6 3,-1.1 1,-0.1 4,-0.7 -0.445 24.0-111.0 -71.0 150.4 22.8 23.7 11.2 30 30 A F G >4 S+ 0 0 16 -28,-0.4 3,-0.9 1,-0.2 -1,-0.1 0.821 115.5 57.2 -46.1 -52.3 20.5 22.2 14.0 31 31 A K G 34 S+ 0 0 146 1,-0.2 -1,-0.2 4,-0.0 4,-0.1 0.853 105.9 52.6 -58.3 -23.2 20.9 18.7 12.9 32 32 A D G <4 S+ 0 0 95 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.477 79.0 109.4 -93.0 2.9 24.6 19.0 13.3 33 33 A I S << S- 0 0 2 -3,-0.9 4,-0.1 -4,-0.7 -9,-0.1 -0.476 89.9 -94.3 -68.8 127.7 24.6 20.3 16.7 34 34 A P > - 0 0 76 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.269 33.5-124.1 -48.7 138.0 25.9 17.5 19.1 35 35 A D T 3 S+ 0 0 141 1,-0.3 11,-0.3 -4,-0.1 -2,-0.1 0.445 106.7 63.1 -72.2 -6.6 22.9 15.5 20.4 36 36 A D T 3 S+ 0 0 140 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.248 78.5 114.6 -92.3 -5.0 23.8 16.1 24.1 37 37 A W < - 0 0 17 -3,-2.4 9,-0.8 -4,-0.1 2,-0.3 -0.484 50.7-160.1 -66.0 146.8 23.3 19.9 23.7 38 38 A V B -D 45 0C 70 7,-0.2 7,-0.2 -2,-0.1 6,-0.1 -0.874 33.5 -78.1-130.2 158.7 20.5 21.4 25.7 39 39 A C > - 0 0 2 5,-3.4 4,-2.3 -2,-0.3 3,-0.3 -0.431 38.2-138.3 -55.9 128.6 18.5 24.7 25.4 40 40 A P T 4 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.618 98.6 40.9 -60.8 -36.6 20.8 27.5 26.9 41 41 A L T 4 S+ 0 0 136 3,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.622 132.2 14.2 -83.8 -58.6 17.7 29.1 28.8 42 42 A C T 4 S- 0 0 49 -3,-0.3 -3,-0.1 2,-0.1 -1,-0.0 0.361 89.7-124.4-108.8 -16.5 15.8 26.1 30.1 43 43 A G < + 0 0 43 -4,-2.3 2,-0.1 1,-0.2 0, 0.0 0.508 57.4 139.7 86.8 1.8 17.9 23.0 29.9 44 44 A V - 0 0 37 1,-0.1 -5,-3.4 -6,-0.1 -1,-0.2 -0.444 52.1-104.5 -78.2 151.3 15.8 20.8 27.9 45 45 A G B > -D 38 0C 28 -7,-0.2 3,-1.8 -2,-0.1 -7,-0.2 -0.032 35.6 -97.2 -71.1 172.3 17.2 18.4 25.0 46 46 A K G > S+ 0 0 24 -9,-0.8 3,-2.2 -11,-0.3 -1,-0.1 0.842 111.8 79.2 -63.0 -20.8 16.9 18.9 21.4 47 47 A D G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -41,-0.0 -3,-0.0 0.695 90.2 56.9 -66.2 -9.5 13.9 16.6 21.1 48 48 A E G < S+ 0 0 80 -3,-1.8 -41,-2.5 2,-0.0 2,-0.3 0.404 88.2 96.8 -97.1 8.7 11.7 19.5 22.3 49 49 A F E < -B 6 0A 16 -3,-2.2 2,-0.4 -43,-0.2 -43,-0.3 -0.661 55.1-167.2 -89.3 153.3 12.9 21.8 19.6 50 50 A E E -B 5 0A 138 -45,-2.5 -45,-2.8 -2,-0.3 -2,-0.0 -0.993 30.7-101.5-133.9 145.7 10.7 22.3 16.3 51 51 A E E -B 4 0A 64 -2,-0.4 2,-0.8 -47,-0.2 -47,-0.3 -0.245 25.1-123.7 -68.5 138.4 11.8 23.9 13.0 52 52 A V - 0 0 47 -49,-2.8 2,-0.6 2,-0.1 -49,-0.4 -0.926 34.8-173.2 -89.2 100.7 10.5 27.5 12.7 53 53 A E 0 0 136 -2,-0.8 0, 0.0 -51,-0.1 0, 0.0 -0.678 360.0 360.0 -97.1 132.2 8.2 26.0 8.1 54 54 A E 0 0 225 -2,-0.6 -2,-0.1 0, 0.0 -3,-0.0 -0.433 360.0 360.0 -91.2 360.0 7.9 29.9 8.7