==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-MAY-92 1CAD . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR M.W.DAY,B.T.HSU,L.JOSHUA-TOR,J.B.PARK,Z.H.ZHOU,M.W.W.ADAMS, . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 56.6 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 . 12 22.6 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 . 8 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 5.7 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 0 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 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 A 0 0 53 0, 0.0 13,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.6 21.3 -2.5 2.0 2 2 A K E -A 13 0A 105 49,-0.4 49,-3.3 11,-0.2 2,-0.4 -0.952 360.0-167.0-122.4 148.1 20.1 1.1 2.3 3 3 A W E -AB 12 50A 28 9,-2.3 9,-3.0 -2,-0.4 2,-0.4 -0.980 13.5-139.6-133.9 134.5 17.2 2.8 0.6 4 4 A V E -AB 11 49A 27 45,-3.1 45,-2.3 -2,-0.4 2,-0.7 -0.783 15.2-126.9-101.1 140.8 16.6 6.5 0.4 5 5 A C E > - B 0 48A 1 5,-2.7 4,-2.1 -2,-0.4 43,-0.2 -0.735 17.9-154.0 -74.9 107.2 13.1 8.2 0.7 6 6 A K T 4 S+ 0 0 104 41,-3.0 -1,-0.2 -2,-0.7 42,-0.1 0.667 89.0 55.7 -63.3 -9.4 13.0 10.3 -2.4 7 7 A I T 4 S+ 0 0 105 40,-0.2 -1,-0.1 3,-0.1 41,-0.0 0.945 127.6 5.2 -87.1 -49.8 10.6 12.6 -0.7 8 8 A C T 4 S- 0 0 55 2,-0.1 -2,-0.2 35,-0.0 3,-0.1 0.538 93.6-111.5-111.2 -18.2 12.5 13.6 2.5 9 9 A G < + 0 0 44 -4,-2.1 -3,-0.1 1,-0.3 2,-0.1 0.456 61.3 152.7 103.3 -3.6 16.0 12.1 2.2 10 10 A Y - 0 0 50 -6,-0.1 -5,-2.7 -5,-0.1 2,-0.6 -0.374 38.2-138.0 -58.8 147.7 15.4 9.7 5.1 11 11 A I E -A 4 0A 70 -7,-0.2 2,-0.9 -3,-0.1 -7,-0.2 -0.875 6.0-154.2-114.9 112.6 17.5 6.6 4.8 12 12 A Y E -A 3 0A 0 -9,-3.0 -9,-2.3 -2,-0.6 2,-0.7 -0.820 17.1-166.7 -80.7 110.2 16.0 3.2 5.5 13 13 A D E > -A 2 0A 38 -2,-0.9 4,-2.6 4,-0.4 3,-0.4 -0.885 16.3-149.4-100.9 116.2 19.0 1.1 6.6 14 14 A E T 4 S+ 0 0 19 -13,-2.6 12,-1.7 -2,-0.7 13,-0.4 0.811 97.4 56.9 -53.4 -36.0 18.2 -2.6 6.7 15 15 A D T 4 S+ 0 0 121 -14,-0.3 11,-0.3 10,-0.2 -1,-0.2 0.920 113.0 39.9 -65.4 -32.7 20.8 -3.0 9.4 16 16 A A T 4 S- 0 0 51 -3,-0.4 -2,-0.2 9,-0.2 -1,-0.2 0.844 88.6-170.1 -88.9 -24.7 19.1 -0.5 11.6 17 17 A G < - 0 0 3 -4,-2.6 -4,-0.4 10,-0.2 7,-0.2 -0.399 40.5 -86.9 63.5-165.2 15.4 -1.4 10.9 18 18 A D B > > +C 23 0B 10 5,-1.9 5,-2.3 -4,-0.1 3,-2.1 -0.610 51.1 171.6-139.2 57.2 12.8 1.1 12.2 19 19 A P G > 5S+ 0 0 87 0, 0.0 3,-1.9 0, 0.0 5,-0.1 0.852 73.4 64.0 -46.1 -38.2 12.2 -0.1 15.8 20 20 A D G 3 5S+ 0 0 146 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.597 109.4 41.6 -53.1 -37.3 10.1 2.9 16.7 21 21 A N G < 5S- 0 0 93 -3,-2.1 -1,-0.3 2,-0.2 3,-0.1 -0.159 130.6 -88.8-105.6 32.9 7.7 1.8 14.1 22 22 A G T < 5S+ 0 0 69 -3,-1.9 2,-0.5 1,-0.2 -2,-0.1 0.549 88.9 122.0 73.5 29.7 7.7 -2.0 14.9 23 23 A I B < -C 18 0B 13 -5,-2.3 -5,-1.9 -7,-0.1 -2,-0.2 -0.923 49.2-149.1-126.5 106.5 10.6 -3.0 12.5 24 24 A S > - 0 0 79 -2,-0.5 3,-1.2 -7,-0.2 -7,-0.1 -0.417 35.9 -76.7 -73.2 166.6 13.6 -4.7 14.2 25 25 A P T 3 S+ 0 0 85 0, 0.0 -9,-0.2 0, 0.0 -10,-0.2 -0.010 115.1 34.2 -62.7 132.8 17.2 -4.5 13.0 26 26 A G T 3 S+ 0 0 50 -12,-1.7 2,-0.4 -11,-0.3 -11,-0.2 0.483 75.5 145.1 104.1 5.1 17.9 -6.6 10.0 27 27 A T < - 0 0 29 -3,-1.2 -1,-0.3 -13,-0.4 -10,-0.2 -0.608 46.9-131.1 -84.1 118.5 14.6 -6.3 8.2 28 28 A K > - 0 0 99 -2,-0.4 3,-0.7 1,-0.1 4,-0.4 -0.402 18.1-118.5 -66.4 138.3 15.0 -6.2 4.4 29 29 A F G > S+ 0 0 13 1,-0.2 3,-1.8 2,-0.2 -1,-0.1 0.928 116.0 55.5 -43.3 -42.4 13.2 -3.4 2.6 30 30 A E G 3 S+ 0 0 95 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.840 103.8 54.5 -69.4 -16.3 11.2 -6.0 0.7 31 31 A E G < S+ 0 0 133 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.2 0.458 81.9 110.4 -95.1 -1.7 10.1 -7.6 4.0 32 32 A L S < S- 0 0 2 -3,-1.8 4,-0.1 -4,-0.4 -9,-0.0 -0.617 84.4 -90.6 -65.1 156.6 8.6 -4.4 5.3 33 33 A P > - 0 0 50 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.020 28.5-120.6 -68.1 144.3 4.8 -4.4 5.5 34 34 A D T 3 S+ 0 0 155 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.861 118.1 52.2 -56.6 -20.5 3.0 -3.0 2.5 35 35 A D T 3 S+ 0 0 130 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.304 82.9 115.9 -91.4 -10.3 1.5 -0.5 4.9 36 36 A W < - 0 0 12 -3,-2.2 9,-0.7 -4,-0.1 2,-0.3 -0.541 46.0-172.1 -62.1 135.9 4.9 0.6 6.2 37 37 A V B -D 44 0C 66 7,-0.2 6,-0.1 -2,-0.1 -2,-0.1 -0.941 37.3 -72.6-125.1 173.0 5.7 4.2 5.5 38 38 A C > - 0 0 2 5,-2.8 4,-1.7 -2,-0.3 5,-0.1 -0.306 39.7-140.9 -62.5 131.3 8.7 6.5 5.8 39 39 A P T 4 S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.619 96.6 44.9 -68.0 -16.0 9.0 7.3 9.6 40 40 A I T 4 S+ 0 0 115 3,-0.1 -2,-0.1 -30,-0.0 -3,-0.0 0.884 132.5 6.0 -96.7 -50.1 9.8 10.9 8.7 41 41 A C T 4 S- 0 0 58 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.656 91.3-118.8-115.5 -1.3 7.5 12.1 6.1 42 42 A G < + 0 0 39 -4,-1.7 0, 0.0 1,-0.2 0, 0.0 0.605 53.7 159.6 79.6 7.2 5.0 9.3 5.7 43 43 A A - 0 0 10 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.414 43.6-108.9 -62.9 142.1 5.8 8.6 2.1 44 44 A P B > -D 37 0C 70 0, 0.0 3,-2.5 0, 0.0 -7,-0.2 -0.259 32.5 -99.2 -63.2 169.1 4.8 5.1 0.9 45 45 A K G > S+ 0 0 37 -9,-0.7 3,-2.3 -11,-0.3 -8,-0.1 0.789 117.3 73.9 -60.8 -31.5 7.4 2.4 0.1 46 46 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -41,-0.0 -3,-0.0 0.760 88.5 60.9 -54.6 -29.7 7.0 3.2 -3.6 47 47 A E G < S+ 0 0 57 -3,-2.5 -41,-3.0 2,-0.0 2,-0.3 0.401 84.7 98.1 -82.3 6.9 8.9 6.4 -3.0 48 48 A F E < -B 5 0A 14 -3,-2.3 2,-0.4 -43,-0.2 -43,-0.2 -0.728 54.3-163.5 -95.6 144.3 12.1 4.7 -1.8 49 49 A E E -B 4 0A 109 -45,-2.3 -45,-3.1 -2,-0.3 2,-0.3 -0.972 23.2-120.2-127.5 123.8 15.1 4.0 -4.1 50 50 A K E -B 3 0A 69 -2,-0.4 2,-0.8 -47,-0.3 -47,-0.3 -0.588 24.8-122.0 -61.3 146.2 17.8 1.5 -3.2 51 51 A L + 0 0 84 -49,-3.3 -49,-0.4 -2,-0.3 2,-0.3 -0.701 66.0 116.2 -95.8 96.3 21.3 3.0 -3.0 52 52 A E 0 0 125 -2,-0.8 -2,-0.0 -51,-0.1 0, 0.0 -0.899 360.0 360.0-150.5 167.7 23.2 1.0 -5.4 53 53 A D 0 0 206 -2,-0.3 -2,-0.1 0, 0.0 0, 0.0 0.124 360.0 360.0 -85.1 360.0 25.0 1.5 -8.7