==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 20-APR-12 4AR4 . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR M.G.CUYPERS,S.A.MASON,M.P.BLAKELEY,E.P.MITCHELL,M.HAERTLEIN, . 54 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3526.0 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 . 12 22.2 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 . 3 5.6 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 0 A M 0 0 109 0, 0.0 15,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-176.7 23.2 30.8 4.7 2 1 A A - 0 0 22 12,-0.1 13,-2.4 13,-0.1 2,-0.4 -0.303 360.0-146.6 -85.8 158.7 21.5 33.2 2.3 3 2 A K E -A 14 0A 95 49,-0.4 49,-3.2 11,-0.2 2,-0.4 -0.963 11.4-165.8-119.6 142.5 20.4 36.8 2.6 4 3 A W E -AB 13 51A 27 9,-2.4 9,-3.0 -2,-0.4 2,-0.4 -0.974 10.2-142.2-127.4 141.2 17.3 38.3 1.0 5 4 A V E -AB 12 50A 34 45,-2.8 45,-2.2 -2,-0.4 2,-0.6 -0.855 14.1-128.4-108.6 137.9 16.5 42.0 0.5 6 5 A C E > - B 0 49A 1 5,-2.8 4,-1.8 -2,-0.4 43,-0.2 -0.746 16.6-153.0 -76.8 118.3 13.1 43.6 0.8 7 6 A K T 4 S+ 0 0 119 41,-2.7 -1,-0.1 -2,-0.6 42,-0.1 0.623 89.5 53.9 -70.9 -12.6 12.8 45.7 -2.4 8 7 A I T 4 S+ 0 0 138 40,-0.2 -1,-0.2 3,-0.1 41,-0.0 0.940 129.0 3.0 -84.2 -54.8 10.4 48.1 -0.7 9 8 A C T 4 S- 0 0 48 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.552 92.9-111.8-115.7 -13.5 12.4 49.2 2.4 10 9 A G < + 0 0 36 -4,-1.8 -3,-0.1 1,-0.3 2,-0.0 0.525 57.9 154.3 90.5 5.2 15.8 47.6 2.3 11 10 A Y - 0 0 42 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.6 -0.385 36.9-138.3 -58.9 142.3 15.4 45.2 5.3 12 11 A I E -A 5 0A 80 -7,-0.2 2,-0.8 37,-0.0 -7,-0.2 -0.948 4.4-150.9-109.2 119.3 17.7 42.2 5.0 13 12 A Y E -A 4 0A 0 -9,-3.0 -9,-2.4 -2,-0.6 2,-0.7 -0.818 16.4-164.4 -84.8 112.8 16.3 38.8 5.9 14 13 A D E >> -A 3 0A 38 -2,-0.8 4,-2.2 4,-0.4 3,-1.4 -0.897 13.4-153.8-103.0 113.5 19.3 36.9 7.1 15 14 A E T 34 S+ 0 0 9 -13,-2.4 12,-2.4 -2,-0.7 13,-0.6 0.830 96.1 57.3 -56.1 -32.9 18.6 33.2 7.2 16 15 A D T 34 S+ 0 0 87 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.779 114.5 38.0 -67.1 -27.5 21.3 32.8 9.9 17 16 A A T <4 S- 0 0 51 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.737 88.2-171.6 -94.2 -28.1 19.5 35.3 12.1 18 17 A G < - 0 0 4 -4,-2.2 -4,-0.4 10,-0.2 7,-0.2 -0.366 40.9 -87.2 63.5-148.5 15.9 34.3 11.4 19 18 A D B > > +C 24 0B 13 5,-2.1 5,-1.8 -6,-0.1 3,-1.7 -0.446 51.4 171.0-155.0 66.5 13.3 36.7 12.8 20 19 A P G > 5S+ 0 0 81 0, 0.0 3,-1.4 0, 0.0 5,-0.1 0.738 72.2 63.2 -64.6 -26.0 12.7 35.4 16.4 21 20 A D G 3 5S+ 0 0 153 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.747 110.2 42.8 -67.6 -21.5 10.5 38.3 17.5 22 21 A N G < 5S- 0 0 102 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 -0.014 132.0 -88.4-114.6 27.5 8.0 37.3 14.9 23 22 A G T < 5S+ 0 0 62 -3,-1.4 2,-0.5 1,-0.2 -2,-0.1 0.647 88.1 122.3 85.8 17.8 8.2 33.5 15.5 24 23 A I B < -C 19 0B 19 -5,-1.8 -5,-2.1 -7,-0.1 -2,-0.2 -0.942 49.5-145.8-118.6 114.1 11.1 32.5 13.2 25 24 A S > - 0 0 77 -2,-0.5 3,-0.9 -7,-0.2 -7,-0.1 -0.339 35.2 -83.7 -75.6 156.2 14.1 30.8 14.7 26 25 A P T 3 S+ 0 0 87 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.253 113.9 36.5 -55.5 144.6 17.7 31.3 13.4 27 26 A G T 3 S+ 0 0 36 -12,-2.4 2,-0.7 1,-0.3 -11,-0.2 0.610 77.3 143.4 85.9 13.8 18.6 29.1 10.5 28 27 A T < - 0 0 24 -3,-0.9 -1,-0.3 -13,-0.6 -10,-0.2 -0.786 46.9-133.7 -89.0 116.3 15.1 29.2 8.8 29 28 A K > - 0 0 105 -2,-0.7 3,-1.2 1,-0.1 4,-0.3 -0.347 17.9-117.8 -64.9 149.9 15.5 29.3 5.0 30 29 A F G > S+ 0 0 14 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.901 115.6 56.5 -55.7 -45.0 13.4 31.9 3.2 31 30 A E G 3 S+ 0 0 119 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.737 104.1 56.0 -59.3 -22.6 11.5 29.2 1.3 32 31 A E G < S+ 0 0 122 -3,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.409 80.3 113.4 -92.1 -0.6 10.5 27.7 4.7 33 32 A L S < S- 0 0 7 -3,-1.9 -9,-0.0 -4,-0.3 -3,-0.0 -0.480 80.3 -97.5 -68.4 143.1 8.9 31.0 6.0 34 33 A P > - 0 0 47 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.208 29.0-115.0 -58.6 154.0 5.2 30.7 6.5 35 34 A D T 3 S+ 0 0 146 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.746 116.8 55.3 -61.5 -23.4 3.0 32.0 3.7 36 35 A D T 3 S+ 0 0 112 9,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.427 80.3 115.6 -91.4 -1.7 1.7 34.7 6.1 37 36 A W < - 0 0 11 -3,-1.7 9,-0.6 8,-0.0 2,-0.3 -0.486 43.1-178.6 -70.8 138.2 5.2 36.0 7.0 38 37 A V B -D 45 0C 95 -2,-0.2 6,-0.1 7,-0.2 -2,-0.1 -0.912 41.4 -70.7-133.8 162.5 5.8 39.6 6.0 39 38 A C > - 0 0 1 5,-2.9 4,-1.4 -2,-0.3 7,-0.0 -0.297 41.2-141.7 -51.5 125.8 8.7 42.1 6.1 40 39 A P T 4 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.607 95.4 43.4 -72.9 -8.8 8.9 43.0 9.8 41 40 A I T 4 S+ 0 0 150 3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.882 132.3 8.5 -96.1 -58.5 9.7 46.7 8.9 42 41 A C T 4 S- 0 0 50 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.592 92.5-117.3-106.7 -12.8 7.3 47.7 6.1 43 42 A G < + 0 0 33 -4,-1.4 0, 0.0 1,-0.2 0, 0.0 0.512 53.9 160.3 88.8 5.7 4.9 44.8 5.9 44 43 A A - 0 0 6 -6,-0.1 -5,-2.9 1,-0.1 -1,-0.2 -0.316 40.9-114.5 -59.6 140.7 5.7 43.8 2.3 45 44 A P B > -D 38 0C 65 0, 0.0 3,-2.1 0, 0.0 -7,-0.2 -0.256 32.3 -97.7 -68.8 165.5 4.7 40.2 1.3 46 45 A K G > S+ 0 0 50 -9,-0.6 3,-2.0 1,-0.3 -8,-0.1 0.778 117.5 74.1 -54.5 -29.1 7.4 37.6 0.5 47 46 A S G 3 S+ 0 0 80 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.743 89.4 60.1 -57.6 -23.4 6.9 38.3 -3.2 48 47 A E G < S+ 0 0 55 -3,-2.1 -41,-2.7 2,-0.0 2,-0.3 0.319 86.1 96.4 -94.9 9.6 8.8 41.6 -2.8 49 48 A F E < -B 6 0A 15 -3,-2.0 2,-0.4 -43,-0.2 -43,-0.2 -0.775 54.1-162.1 -99.7 144.1 12.0 40.0 -1.6 50 49 A E E -B 5 0A 106 -45,-2.2 -45,-2.8 -2,-0.3 2,-0.2 -0.985 22.9-118.1-125.6 135.0 15.0 39.2 -3.8 51 50 A K E -B 4 0A 66 -2,-0.4 2,-1.3 -47,-0.2 -47,-0.3 -0.514 25.1-126.1 -71.6 133.0 17.8 36.7 -2.9 52 51 A L S S+ 0 0 98 -49,-3.2 -49,-0.4 -2,-0.2 2,-0.3 -0.653 70.5 95.6 -84.9 93.0 21.3 38.3 -2.7 53 52 A E 0 0 128 -2,-1.3 -2,-0.0 -51,-0.1 -51,-0.0 -0.954 360.0 360.0-167.7 158.0 23.3 36.2 -5.1 54 53 A D 0 0 218 -2,-0.3 -3,-0.0 0, 0.0 -2,-0.0 -0.369 360.0 360.0 -66.2 360.0 24.5 36.3 -8.7