==== 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 5RXN . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR K.D.WATENPAUGH . 54 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3729.0 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 0 135 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 121.2 19.5 27.2 7.4 2 2 A K - 0 0 85 13,-0.1 28,-0.4 1,-0.1 2,-0.2 -0.555 360.0-120.8 -77.2 147.1 16.3 27.2 9.4 3 3 A K - 0 0 102 49,-0.4 49,-3.1 -2,-0.3 2,-0.4 -0.487 25.1-152.5 -76.3 149.5 15.7 28.5 12.8 4 4 A Y E -AB 13 51A 38 9,-1.9 9,-3.5 47,-0.2 2,-0.4 -0.992 3.2-146.4-123.9 145.6 14.5 26.1 15.5 5 5 A T E -AB 12 50A 38 45,-3.2 45,-2.2 -2,-0.4 2,-0.7 -0.879 17.4-125.2-115.6 140.2 12.5 27.0 18.6 6 6 A C E > - B 0 49A 1 5,-3.3 4,-2.4 -2,-0.4 43,-0.2 -0.688 20.9-156.2 -74.2 117.2 12.6 25.4 22.0 7 7 A T T 4 S+ 0 0 74 41,-2.6 -1,-0.1 -2,-0.7 42,-0.1 0.658 87.6 56.6 -77.9 -8.9 8.9 24.4 22.6 8 8 A V T 4 S+ 0 0 85 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.917 128.8 5.1 -83.9 -45.4 9.3 24.5 26.3 9 9 A C T 4 S- 0 0 61 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.0 0.585 94.5-113.0-120.2 -13.6 10.6 28.1 26.8 10 10 A G < + 0 0 44 -4,-2.4 -3,-0.1 1,-0.3 0, 0.0 0.381 57.8 154.4 93.3 -5.6 10.5 29.8 23.4 11 11 A Y - 0 0 39 -6,-0.1 -5,-3.3 -5,-0.1 2,-0.6 -0.268 34.8-142.3 -52.6 136.9 14.3 30.2 22.9 12 12 A I E -A 5 0A 72 -7,-0.2 2,-0.7 37,-0.0 -7,-0.2 -0.931 2.2-146.7-110.7 121.0 15.2 30.4 19.2 13 13 A Y E -A 4 0A 0 -9,-3.5 -9,-1.9 -2,-0.6 17,-0.1 -0.842 15.9-166.6 -82.3 119.7 18.3 28.8 17.9 14 14 A D >> - 0 0 36 -2,-0.7 4,-1.8 4,-0.4 3,-1.4 -0.959 14.8-152.0-111.3 110.1 19.6 30.9 15.0 15 15 A P T 34 S+ 0 0 4 0, 0.0 12,-3.1 0, 0.0 13,-0.5 0.790 93.3 63.3 -58.3 -21.4 22.1 29.1 12.9 16 16 A E T 34 S+ 0 0 155 1,-0.2 13,-0.0 10,-0.2 -13,-0.0 0.804 115.1 31.0 -67.0 -30.7 23.8 32.5 12.0 17 17 A D T <4 S- 0 0 100 -3,-1.4 -1,-0.2 9,-0.1 -4,-0.0 0.637 91.6-170.5 -94.7 -30.5 24.6 33.1 15.6 18 18 A G < - 0 0 7 -4,-1.8 -4,-0.4 7,-0.2 7,-0.2 -0.144 42.2 -85.9 65.7-152.7 25.1 29.5 16.9 19 19 A D B > > +C 24 0B 17 5,-2.4 5,-2.1 -4,-0.1 3,-1.3 -0.594 54.5 172.5-144.3 67.8 25.5 29.0 20.6 20 20 A P G > 5 + 0 0 67 0, 0.0 3,-1.9 0, 0.0 5,-0.1 0.822 69.8 62.0 -61.1 -33.7 29.3 29.6 20.9 21 21 A D G 3 5S+ 0 0 160 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.823 109.1 44.2 -67.8 -12.1 29.6 29.6 24.6 22 22 A D G < 5S- 0 0 97 -3,-1.3 -1,-0.3 2,-0.2 3,-0.1 0.117 128.9 -96.6-111.4 17.3 28.4 26.0 24.6 23 23 A G T < 5S+ 0 0 58 -3,-1.9 2,-0.8 1,-0.2 -2,-0.1 0.602 84.8 127.3 83.7 14.5 30.6 25.1 21.7 24 24 A V B < -C 19 0B 5 -5,-2.1 -5,-2.4 9,-0.1 -1,-0.2 -0.872 49.8-148.3-107.4 101.7 28.1 25.5 18.8 25 25 A N > - 0 0 106 -2,-0.8 3,-1.4 -7,-0.2 -7,-0.2 -0.383 27.4 -85.1 -72.0 155.0 29.8 27.7 16.3 26 26 A P T 3 S+ 0 0 79 0, 0.0 -10,-0.2 0, 0.0 -9,-0.1 -0.225 116.1 35.9 -52.1 139.2 28.0 30.2 14.0 27 27 A G T 3 S+ 0 0 46 -12,-3.1 2,-0.6 1,-0.3 -11,-0.2 0.514 79.3 136.2 87.7 6.8 26.9 28.4 10.8 28 28 A T < - 0 0 31 -3,-1.4 -1,-0.3 -13,-0.5 -10,-0.2 -0.763 50.8-135.8 -91.2 118.7 26.0 25.1 12.5 29 29 A D >> - 0 0 48 -2,-0.6 3,-1.2 1,-0.1 4,-0.8 -0.484 25.1-112.6 -63.4 148.5 22.7 23.7 11.2 30 30 A F G >4 S+ 0 0 14 -28,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.861 115.7 58.5 -51.2 -43.9 20.5 22.3 14.0 31 31 A K G 34 S+ 0 0 157 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.818 104.6 52.9 -64.8 -19.7 20.8 18.7 12.9 32 32 A D G <4 S+ 0 0 106 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.625 79.7 110.0 -96.2 1.0 24.6 19.0 13.3 33 33 A I S << S- 0 0 2 -3,-1.1 -9,-0.1 -4,-0.8 4,-0.0 -0.437 88.7 -95.3 -67.2 131.2 24.5 20.3 16.8 34 34 A P > - 0 0 77 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.237 33.8-121.9 -53.2 135.4 25.9 17.4 19.1 35 35 A D T 3 S+ 0 0 140 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.515 107.0 61.5 -67.4 -4.8 22.9 15.5 20.4 36 36 A D T 3 S+ 0 0 139 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.318 78.3 116.4 -96.4 2.0 23.7 16.1 24.1 37 37 A W < - 0 0 17 -3,-2.2 9,-0.7 -4,-0.0 2,-0.3 -0.440 49.8-159.1 -66.0 145.4 23.3 19.9 23.7 38 38 A V B -D 45 0C 67 7,-0.2 7,-0.2 -2,-0.1 6,-0.1 -0.883 31.9 -79.2-128.7 155.1 20.5 21.4 25.7 39 39 A C > - 0 0 1 5,-3.2 4,-2.6 -2,-0.3 5,-0.0 -0.391 38.1-140.1 -51.4 122.1 18.5 24.7 25.4 40 40 A P T 4 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.701 97.8 41.9 -58.2 -30.0 20.7 27.4 27.0 41 41 A L T 4 S+ 0 0 130 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.849 132.6 13.5 -88.6 -45.5 17.7 29.1 28.7 42 42 A C T 4 S- 0 0 50 2,-0.1 -3,-0.1 0, 0.0 -1,-0.0 0.513 89.7-125.5-114.7 -10.3 15.7 26.1 30.1 43 43 A G < + 0 0 43 -4,-2.6 2,-0.1 1,-0.2 0, 0.0 0.433 57.5 139.9 81.4 5.7 18.0 23.1 29.9 44 44 A V - 0 0 37 1,-0.1 -5,-3.2 -6,-0.1 -1,-0.2 -0.412 52.5-103.2 -79.3 156.3 15.7 20.7 27.9 45 45 A G B > -D 38 0C 26 -7,-0.2 3,-1.8 -2,-0.1 -7,-0.2 -0.087 33.3 -95.3 -71.6 172.6 17.1 18.4 25.1 46 46 A K G > S+ 0 0 25 -9,-0.7 3,-2.0 -11,-0.3 -1,-0.1 0.772 113.2 76.6 -59.0 -28.5 17.0 18.8 21.3 47 47 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.659 90.2 57.5 -66.3 -11.1 13.9 16.5 21.1 48 48 A E G < S+ 0 0 76 -3,-1.8 -41,-2.6 2,-0.0 2,-0.3 0.360 89.6 95.6 -99.8 11.2 11.7 19.5 22.4 49 49 A F E < -B 6 0A 18 -3,-2.0 2,-0.3 -43,-0.2 -43,-0.2 -0.736 55.1-164.5 -93.9 154.0 12.8 21.8 19.5 50 50 A E E -B 5 0A 131 -45,-2.2 -45,-3.2 -2,-0.3 -2,-0.0 -0.981 27.4-102.2-134.1 145.6 10.8 22.3 16.3 51 51 A E E -B 4 0A 73 -2,-0.3 2,-0.9 -47,-0.3 -47,-0.2 -0.272 28.6-128.5 -60.7 135.1 11.8 23.9 12.9 52 52 A V + 0 0 49 -49,-3.1 2,-0.4 2,-0.0 -49,-0.4 -0.883 35.4 176.4 -85.6 100.7 10.5 27.4 12.4 53 53 A E 0 0 138 -2,-0.9 -51,-0.0 -51,-0.1 -49,-0.0 -0.925 360.0 360.0-101.5 141.9 8.7 27.1 8.8 54 54 A E 0 0 235 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.936 360.0 360.0-141.2 360.0 7.0 30.3 7.7