==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 07-DEC-09 3KYY . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR A.S.GARDBERG . 54 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 63.0 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 . 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 . 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 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 0 107 0, 0.0 2,-0.1 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0-169.2 23.1 -4.4 4.8 2 1 A A - 0 0 20 12,-0.1 13,-2.6 13,-0.0 2,-0.4 -0.400 360.0-145.2 -92.5 161.1 21.4 -2.0 2.4 3 2 A K E -A 14 0A 65 49,-0.4 49,-3.1 11,-0.2 2,-0.4 -0.948 11.5-166.6-122.1 145.4 20.3 1.6 2.7 4 3 A W E -AB 13 51A 29 9,-2.2 9,-3.0 -2,-0.4 2,-0.4 -0.993 11.6-140.7-131.6 136.0 17.3 3.1 1.0 5 4 A V E -AB 12 50A 28 45,-2.7 45,-2.0 -2,-0.4 2,-0.7 -0.806 13.8-128.5-103.4 141.0 16.4 6.7 0.6 6 5 A C E > - B 0 49A 1 5,-2.9 4,-2.2 -2,-0.4 43,-0.2 -0.723 19.3-152.7 -77.3 115.3 13.0 8.4 0.9 7 6 A K T 4 S+ 0 0 89 41,-2.8 -1,-0.2 -2,-0.7 42,-0.1 0.663 88.9 53.1 -69.8 -14.0 12.9 10.4 -2.3 8 7 A I T 4 S+ 0 0 107 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.933 128.2 6.9 -83.6 -51.0 10.5 12.8 -0.8 9 8 A C T 4 S- 0 0 54 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.575 92.4-113.5-114.4 -13.4 12.4 13.9 2.4 10 9 A G < + 0 0 45 -4,-2.2 -3,-0.1 1,-0.3 2,-0.1 0.429 58.8 151.1 90.3 1.1 15.9 12.4 2.3 11 10 A Y - 0 0 50 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.6 -0.396 38.5-139.6 -58.1 140.1 15.4 10.0 5.3 12 11 A I E -A 5 0A 71 -7,-0.2 2,-0.8 -2,-0.1 -7,-0.2 -0.934 3.8-150.2-109.4 118.2 17.6 6.9 4.9 13 12 A Y E -A 4 0A 0 -9,-3.0 -9,-2.2 -2,-0.6 2,-0.6 -0.816 16.9-165.0 -81.4 114.0 16.2 3.6 5.9 14 13 A D E >> -A 3 0A 47 -2,-0.8 4,-2.0 4,-0.4 3,-1.3 -0.925 14.7-152.4-105.3 113.9 19.2 1.6 7.0 15 14 A E T 34 S+ 0 0 9 -13,-2.6 12,-2.7 -2,-0.6 13,-0.5 0.824 96.5 58.9 -57.4 -29.8 18.5 -2.1 7.3 16 15 A D T 34 S+ 0 0 81 -14,-0.3 -1,-0.3 1,-0.2 -13,-0.1 0.798 114.3 36.8 -69.1 -26.5 21.2 -2.4 10.0 17 16 A A T <4 S- 0 0 48 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.729 88.2-171.2 -93.1 -27.1 19.4 0.1 12.1 18 17 A G < - 0 0 4 -4,-2.0 -4,-0.4 10,-0.2 7,-0.2 -0.303 41.0 -86.0 61.1-148.7 15.8 -0.8 11.4 19 18 A D B > > +C 24 0B 14 5,-2.0 5,-2.0 -4,-0.1 3,-1.9 -0.533 51.7 171.3-154.5 66.7 13.1 1.5 12.8 20 19 A P G > 5S+ 0 0 81 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.814 72.2 63.0 -65.1 -30.7 12.6 0.3 16.3 21 20 A D G 3 5S+ 0 0 155 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.629 110.2 42.8 -65.8 -15.4 10.4 3.1 17.4 22 21 A N G < 5S- 0 0 96 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 0.010 131.9 -86.5-120.7 26.8 7.9 2.0 14.8 23 22 A G T < 5S+ 0 0 68 -3,-1.7 2,-0.6 1,-0.2 -2,-0.1 0.623 88.5 122.2 90.7 14.2 8.1 -1.7 15.3 24 23 A I B < -C 19 0B 13 -5,-2.0 -5,-2.0 -7,-0.1 -1,-0.2 -0.926 48.9-146.3-119.6 112.0 11.0 -2.7 13.2 25 24 A S > - 0 0 74 -2,-0.6 3,-1.1 -7,-0.2 -7,-0.1 -0.320 36.0 -85.2 -72.2 154.0 14.0 -4.4 14.7 26 25 A P T 3 S+ 0 0 82 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.321 113.8 37.5 -54.8 141.3 17.5 -3.9 13.4 27 26 A G T 3 S+ 0 0 35 -12,-2.7 2,-0.6 1,-0.3 -11,-0.2 0.514 77.1 141.0 91.1 8.9 18.4 -6.1 10.5 28 27 A T < - 0 0 22 -3,-1.1 -1,-0.3 -13,-0.5 -10,-0.2 -0.750 49.0-131.8 -86.2 119.3 15.0 -6.0 8.9 29 28 A K >> - 0 0 64 -2,-0.6 3,-1.5 1,-0.1 4,-0.5 -0.369 17.6-117.5 -67.6 149.8 15.4 -5.8 5.1 30 29 A F G >4 S+ 0 0 13 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.886 115.9 56.5 -54.8 -41.7 13.4 -3.2 3.3 31 30 A E G 34 S+ 0 0 112 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.740 103.9 55.7 -64.3 -19.7 11.5 -5.9 1.4 32 31 A E G <4 S+ 0 0 117 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.483 80.5 113.1 -90.5 -6.7 10.4 -7.4 4.7 33 32 A L S << S- 0 0 4 -3,-1.4 -9,-0.0 -4,-0.5 -3,-0.0 -0.443 81.7 -93.6 -65.5 144.3 8.9 -4.2 6.0 34 33 A P > - 0 0 57 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.159 33.0-113.1 -55.4 154.0 5.1 -4.4 6.4 35 34 A D T 3 S+ 0 0 159 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.770 116.8 48.4 -65.0 -27.5 3.1 -3.2 3.5 36 35 A D T 3 S+ 0 0 133 9,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.255 79.3 120.0 -99.9 10.5 1.8 -0.3 5.6 37 36 A W < - 0 0 16 -3,-1.9 9,-0.6 8,-0.0 2,-0.3 -0.544 44.2-172.4 -65.5 140.3 5.1 0.9 6.9 38 37 A V B -D 45 0C 63 -2,-0.2 6,-0.1 7,-0.2 -2,-0.1 -0.900 37.4 -71.4-131.1 165.9 5.8 4.5 5.9 39 38 A C > - 0 0 2 5,-2.8 4,-1.8 -2,-0.3 7,-0.0 -0.337 41.5-141.5 -54.4 126.8 8.6 6.9 6.1 40 39 A P T 4 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.682 95.9 43.5 -70.9 -13.9 8.9 7.9 9.7 41 40 A I T 4 S+ 0 0 121 3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.901 132.2 9.8 -92.5 -54.7 9.7 11.5 8.8 42 41 A C T 4 S- 0 0 55 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.579 92.1-117.8-110.5 -11.4 7.3 12.4 6.0 43 42 A G < + 0 0 40 -4,-1.8 0, 0.0 1,-0.2 0, 0.0 0.494 54.5 158.3 84.8 6.1 4.8 9.6 5.8 44 43 A A - 0 0 10 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.326 41.5-114.0 -65.2 143.3 5.7 8.5 2.3 45 44 A P B > -D 38 0C 72 0, 0.0 3,-2.3 0, 0.0 -7,-0.2 -0.236 32.3 -98.1 -68.0 164.6 4.8 5.0 1.2 46 45 A K G > S+ 0 0 43 -9,-0.6 3,-1.8 -11,-0.3 -8,-0.1 0.751 117.3 73.6 -54.7 -28.3 7.4 2.4 0.4 47 46 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.699 88.9 61.4 -58.6 -21.8 6.9 3.1 -3.3 48 47 A E G < S+ 0 0 71 -3,-2.3 -41,-2.8 2,-0.0 2,-0.3 0.228 86.2 94.7 -94.2 11.9 8.8 6.3 -2.8 49 48 A F E < -B 6 0A 17 -3,-1.8 2,-0.4 -43,-0.2 -43,-0.2 -0.772 54.1-162.2-103.0 149.5 12.1 4.7 -1.6 50 49 A E E -B 5 0A 112 -45,-2.0 -45,-2.7 -2,-0.3 2,-0.2 -0.994 23.6-116.6-129.7 137.2 15.0 3.9 -3.8 51 50 A K E -B 4 0A 66 -2,-0.4 2,-1.2 -47,-0.2 -47,-0.3 -0.530 24.7-127.2 -74.2 136.5 17.9 1.5 -2.9 52 51 A L S S+ 0 0 86 -49,-3.1 -49,-0.4 -2,-0.2 2,-0.3 -0.715 73.0 87.0 -89.4 94.9 21.3 3.1 -2.6 53 52 A E 0 0 125 -2,-1.2 -2,-0.0 1,-0.4 -51,-0.0 -0.906 360.0 360.0-174.5 160.5 23.4 1.0 -4.9 54 53 A D 0 0 147 -2,-0.3 -1,-0.4 0, 0.0 -3,-0.0 0.886 360.0 360.0 51.5 360.0 24.2 1.0 -8.7