==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-FEB-13 2M4Y . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ULCERANS; . AUTHOR R.BARNWAL,G.VARANI,SEATTLE STRUCTURAL GENOMICS CENTER FOR IN . 56 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 50.0 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 . 4 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.8 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 . 4 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.8 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 221 0, 0.0 2,-0.3 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0 160.0 2.0 -1.6 -0.6 2 2 A T - 0 0 42 50,-0.0 13,-1.0 2,-0.0 2,-0.3 -0.675 360.0-178.4 -91.8 144.0 4.8 -3.9 -1.8 3 3 A A - 0 0 26 -2,-0.3 50,-1.3 50,-0.2 2,-0.6 -0.914 7.5-177.2-146.8 115.6 8.4 -2.8 -1.8 4 4 A Y B +A 52 0A 88 -2,-0.3 9,-0.8 9,-0.2 2,-0.5 -0.911 10.1 169.0-117.7 105.6 11.4 -4.8 -3.0 5 5 A R + 0 0 131 46,-0.7 46,-0.4 -2,-0.6 7,-0.1 -0.946 13.7 141.2-120.6 113.0 14.8 -3.1 -2.5 6 6 A C >> + 0 0 10 -2,-0.5 4,-1.9 4,-0.4 3,-1.4 -0.641 17.3 175.1-153.3 88.1 17.9 -5.2 -3.1 7 7 A P T 34 S+ 0 0 84 0, 0.0 4,-0.1 0, 0.0 34,-0.1 0.568 73.3 83.1 -69.8 -8.3 20.9 -3.5 -4.8 8 8 A V T 34 S+ 0 0 76 2,-0.1 3,-0.1 1,-0.1 37,-0.1 0.740 112.7 13.1 -67.6 -22.9 22.9 -6.7 -4.2 9 9 A C T <4 S- 0 0 1 -3,-1.4 33,-2.5 1,-0.4 32,-0.6 0.709 136.1 -15.8-117.6 -50.9 21.3 -8.1 -7.4 10 10 A D S < S- 0 0 27 -4,-1.9 -4,-0.4 31,-0.2 -1,-0.4 -0.981 82.9 -66.5-155.3 161.8 19.7 -5.2 -9.2 11 11 A Y - 0 0 178 -2,-0.3 2,-0.4 -4,-0.1 -5,-0.1 0.028 53.3-117.0 -46.3 157.8 18.5 -1.6 -8.8 12 12 A T + 0 0 38 -7,-0.1 2,-0.3 -5,-0.0 -7,-0.2 -0.877 35.4 169.1-107.4 134.5 15.6 -1.0 -6.4 13 13 A Y - 0 0 65 -9,-0.8 -9,-0.2 -2,-0.4 6,-0.0 -0.857 21.2-146.4-148.2 108.0 12.3 0.4 -7.5 14 14 A D >> - 0 0 49 -2,-0.3 3,-1.7 -11,-0.1 4,-0.7 -0.293 28.6-112.0 -70.0 156.6 9.2 0.5 -5.4 15 15 A E T 34 S+ 0 0 44 -13,-1.0 12,-0.7 1,-0.3 3,-0.5 0.924 122.0 37.3 -54.3 -48.5 5.7 0.1 -6.9 16 16 A G T 34 S+ 0 0 68 -14,-0.3 -1,-0.3 1,-0.2 10,-0.1 0.265 94.4 93.9 -88.6 12.6 4.8 3.7 -6.1 17 17 A K T <4 S- 0 0 123 -3,-1.7 -1,-0.2 8,-0.1 -2,-0.2 0.910 82.1-140.4 -69.7 -43.6 8.4 4.8 -6.8 18 18 A G < + 0 0 36 -4,-0.7 8,-0.1 -3,-0.5 3,-0.1 0.978 36.0 162.9 79.6 68.9 7.6 5.7 -10.4 19 19 A D B > > +B 24 0B 35 5,-0.8 3,-1.4 -5,-0.2 5,-1.0 -0.675 7.4 161.5-121.2 76.4 10.6 4.6 -12.5 20 20 A P G > 5 + 0 0 72 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.571 67.1 78.6 -69.8 -8.5 9.5 4.5 -16.1 21 21 A R G 3 5S+ 0 0 217 1,-0.3 -2,-0.0 3,-0.2 -3,-0.0 0.772 90.0 53.0 -71.1 -26.3 13.1 4.5 -17.1 22 22 A E G < 5S- 0 0 41 -3,-1.4 -1,-0.3 2,-0.2 -3,-0.0 0.057 129.6 -95.4 -96.4 24.2 13.4 0.8 -16.3 23 23 A G T < 5S+ 0 0 57 -3,-1.2 -2,-0.1 1,-0.1 -1,-0.0 0.638 104.3 102.7 72.8 13.1 10.4 -0.0 -18.5 24 24 A F B < -B 19 0B 32 -5,-1.0 -5,-0.8 4,-0.0 -3,-0.2 -0.735 52.2-176.7-132.0 84.4 8.2 0.1 -15.5 25 25 A P > - 0 0 64 0, 0.0 3,-2.0 0, 0.0 -7,-0.2 -0.018 47.7 -48.9 -69.7 179.0 6.2 3.4 -15.3 26 26 A A T 3 S+ 0 0 84 1,-0.3 -10,-0.1 -8,-0.1 3,-0.1 -0.184 129.5 23.4 -51.6 138.4 3.8 4.5 -12.6 27 27 A G T 3 S+ 0 0 39 -12,-0.7 2,-0.3 1,-0.3 -1,-0.3 -0.043 83.5 136.4 94.1 -32.7 1.3 1.8 -11.6 28 28 A T < - 0 0 32 -3,-2.0 -1,-0.3 -13,-0.1 -10,-0.1 -0.314 52.1-136.4 -53.7 109.4 3.6 -1.0 -13.0 29 29 A R >> - 0 0 125 -2,-0.3 3,-2.3 1,-0.1 4,-0.5 -0.338 16.1-116.4 -69.3 150.8 3.4 -3.7 -10.3 30 30 A W G >4 S+ 0 0 113 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.798 116.7 64.1 -56.8 -29.0 6.5 -5.5 -9.2 31 31 A D G 34 S+ 0 0 91 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.692 86.7 73.4 -68.7 -18.1 5.0 -8.6 -10.5 32 32 A Q G <4 S+ 0 0 119 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.873 76.7 91.7 -63.4 -38.0 5.1 -7.0 -14.0 33 33 A I S << S- 0 0 41 -3,-0.8 2,-0.2 -4,-0.5 4,-0.0 -0.358 88.2-112.0 -62.3 133.0 8.9 -7.5 -14.1 34 34 A P > - 0 0 64 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.472 10.4-141.3 -69.8 131.5 9.9 -10.8 -15.7 35 35 A D T 3 S+ 0 0 135 1,-0.3 12,-0.1 -2,-0.2 -2,-0.1 0.653 101.6 66.3 -66.1 -14.3 11.5 -13.3 -13.4 36 36 A D T 3 S+ 0 0 151 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.031 75.2 145.5 -95.3 26.0 13.8 -14.2 -16.3 37 37 A W < - 0 0 97 -3,-1.3 2,-0.5 1,-0.1 -4,-0.0 -0.306 45.1-133.1 -64.6 147.3 15.4 -10.7 -16.1 38 38 A C + 0 0 116 5,-0.0 -1,-0.1 4,-0.0 -2,-0.1 -0.916 33.8 161.8-109.2 122.3 19.1 -10.4 -16.9 39 39 A C > - 0 0 27 -2,-0.5 4,-0.6 1,-0.1 -29,-0.1 -0.922 43.9-125.2-136.0 160.8 21.4 -8.4 -14.6 40 40 A P T 4 S+ 0 0 117 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.939 111.4 24.0 -69.8 -49.5 25.1 -8.1 -13.9 41 41 A D T >> S+ 0 0 60 -32,-0.6 3,-2.4 1,-0.2 4,-1.4 0.934 122.1 53.2 -82.1 -52.7 24.9 -8.7 -10.1 42 42 A C T 34 S+ 0 0 20 -33,-2.5 -1,-0.2 1,-0.3 -32,-0.1 0.743 88.9 84.5 -54.9 -22.8 21.6 -10.7 -10.0 43 43 A S T 3< S+ 0 0 90 -4,-0.6 -1,-0.3 -34,-0.3 -2,-0.2 0.806 109.5 20.4 -50.5 -30.9 23.3 -12.9 -12.6 44 44 A V T <4 S+ 0 0 112 -3,-2.4 2,-0.5 -4,-0.2 -1,-0.3 0.572 118.9 73.2-112.4 -18.8 24.9 -14.7 -9.7 45 45 A R S < S- 0 0 106 -4,-1.4 -1,-0.1 -36,-0.1 -4,-0.0 -0.884 85.9-118.5-104.4 123.3 22.5 -13.6 -6.9 46 46 A E - 0 0 145 -2,-0.5 3,-0.5 1,-0.1 4,-0.1 -0.039 16.1-125.8 -52.1 158.5 19.0 -15.2 -6.9 47 47 A K S > S+ 0 0 59 1,-0.2 3,-1.2 2,-0.1 -1,-0.1 0.763 108.7 62.5 -79.5 -26.8 16.0 -12.9 -7.3 48 48 A V T 3 S+ 0 0 123 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.571 79.1 87.6 -74.4 -8.4 14.4 -14.1 -4.1 49 49 A D T 3 + 0 0 83 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.1 0.704 67.2 108.9 -63.0 -18.9 17.4 -12.8 -2.2 50 50 A F < - 0 0 23 -3,-1.2 2,-0.4 -44,-0.1 -44,-0.1 0.057 64.5-138.8 -51.9 168.9 15.5 -9.5 -2.1 51 51 A E - 0 0 144 -46,-0.4 -46,-0.7 -48,-0.0 -1,-0.1 -0.894 9.5-134.2-141.7 108.4 14.1 -8.3 1.3 52 52 A R B -A 4 0A 179 -2,-0.4 -48,-0.2 -48,-0.1 2,-0.1 -0.327 25.5-132.6 -61.0 136.9 10.7 -6.7 1.6 53 53 A M - 0 0 110 -50,-1.3 -50,-0.2 -2,-0.0 -1,-0.1 -0.249 15.8-164.4 -84.0 175.8 10.7 -3.5 3.7 54 54 A G + 0 0 77 -2,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.331 28.6 139.7-164.0 72.4 8.3 -2.6 6.5 55 55 A G 0 0 78 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.451 360.0 360.0-109.4-176.0 8.1 1.0 7.6 56 56 A K 0 0 250 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.394 360.0 360.0 -99.2 360.0 5.5 3.5 8.7