==== 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 3KYX . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR A.S.GARDBERG,F.MEILLEUR . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 63.5 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 23.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 5.8 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 . 6 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 7.7 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 0 A M 0 0 107 0, 0.0 2,-0.1 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0-175.6 23.3 -4.4 4.9 2 1 A A - 0 0 22 12,-0.1 13,-2.5 13,-0.0 2,-0.4 -0.360 360.0-147.5 -90.8 159.5 21.5 -2.0 2.5 3 2 A K E -A 14 0A 77 49,-0.4 49,-2.7 11,-0.2 2,-0.4 -0.954 10.1-165.8-121.7 145.1 20.4 1.6 2.7 4 3 A W E -AB 13 51A 29 9,-2.4 9,-3.0 -2,-0.4 2,-0.4 -0.984 11.1-141.6-131.9 137.9 17.3 3.1 1.0 5 4 A V E -AB 12 50A 30 45,-2.9 45,-2.1 -2,-0.4 2,-0.7 -0.841 14.3-127.6-107.1 138.1 16.5 6.8 0.6 6 5 A C E > - B 0 49A 1 5,-2.9 4,-2.1 -2,-0.4 43,-0.2 -0.745 18.1-152.4 -74.8 116.0 13.1 8.4 0.9 7 6 A K T 4 S+ 0 0 118 41,-2.9 -1,-0.1 -2,-0.7 42,-0.1 0.637 89.4 52.9 -68.2 -13.9 12.9 10.4 -2.4 8 7 A I T 4 S+ 0 0 134 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.922 128.0 6.4 -85.2 -50.7 10.6 12.9 -0.7 9 8 A C T 4 S- 0 0 48 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.578 92.5-112.4-118.6 -12.3 12.5 14.0 2.4 10 9 A G < + 0 0 38 -4,-2.1 -3,-0.1 1,-0.3 2,-0.1 0.432 59.2 151.0 91.8 -0.0 16.0 12.4 2.4 11 10 A Y - 0 0 42 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.6 -0.413 38.0-140.7 -57.1 139.9 15.5 10.0 5.3 12 11 A I E -A 5 0A 85 -7,-0.2 2,-0.7 -2,-0.1 -7,-0.2 -0.940 3.3-150.4-110.0 118.4 17.7 7.0 5.0 13 12 A Y E -A 4 0A 0 -9,-3.0 -9,-2.4 -2,-0.6 2,-0.6 -0.809 16.7-165.0 -82.4 116.1 16.3 3.6 6.0 14 13 A D E >> -A 3 0A 39 -2,-0.7 4,-2.1 4,-0.4 3,-1.3 -0.934 14.7-152.3-107.2 115.5 19.3 1.6 7.1 15 14 A E T 34 S+ 0 0 9 -13,-2.5 12,-2.7 -2,-0.6 13,-0.5 0.803 96.3 59.1 -58.7 -30.2 18.6 -2.1 7.4 16 15 A D T 34 S+ 0 0 79 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.780 114.0 36.8 -67.9 -26.2 21.3 -2.4 10.1 17 16 A A T <4 S- 0 0 51 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.743 88.5-171.0 -93.3 -31.4 19.4 0.1 12.2 18 17 A G < - 0 0 4 -4,-2.1 -4,-0.4 10,-0.2 7,-0.2 -0.352 40.2 -88.1 65.1-149.4 15.8 -0.8 11.5 19 18 A D B > > +C 24 0B 14 5,-2.1 5,-1.8 -4,-0.1 3,-1.8 -0.491 50.6 171.9-155.4 68.6 13.2 1.5 12.9 20 19 A P G > 5S+ 0 0 83 0, 0.0 3,-1.4 0, 0.0 5,-0.1 0.752 71.9 64.0 -68.2 -24.0 12.5 0.2 16.4 21 20 A D G 3 5S+ 0 0 152 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.679 109.2 43.3 -68.4 -18.2 10.3 3.1 17.5 22 21 A N G < 5S- 0 0 101 -3,-1.8 -1,-0.3 2,-0.2 3,-0.1 0.021 132.3 -87.4-116.7 25.6 7.8 2.0 14.8 23 22 A G T < 5S+ 0 0 64 -3,-1.4 2,-0.6 1,-0.2 -2,-0.1 0.625 88.5 122.9 90.4 16.0 8.0 -1.7 15.4 24 23 A I B < -C 19 0B 18 -5,-1.8 -5,-2.1 -7,-0.1 -1,-0.2 -0.924 48.7-147.2-118.3 110.7 11.0 -2.7 13.2 25 24 A S > - 0 0 76 -2,-0.6 3,-1.0 -7,-0.2 -7,-0.1 -0.339 36.0 -84.9 -73.6 154.3 14.0 -4.4 14.8 26 25 A P T 3 S+ 0 0 84 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.282 113.8 37.2 -54.5 141.6 17.6 -3.9 13.5 27 26 A G T 3 S+ 0 0 35 -12,-2.7 2,-0.6 1,-0.3 -11,-0.2 0.549 77.6 141.7 90.6 9.8 18.5 -6.1 10.6 28 27 A T < - 0 0 23 -3,-1.0 -1,-0.3 -13,-0.5 -10,-0.2 -0.750 48.9-131.2 -86.4 119.7 15.1 -6.0 8.9 29 28 A K >> - 0 0 106 -2,-0.6 3,-1.5 1,-0.1 4,-0.5 -0.361 17.6-117.5 -68.9 149.9 15.4 -5.8 5.1 30 29 A F G >4 S+ 0 0 14 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.887 116.4 55.5 -53.8 -41.5 13.4 -3.2 3.3 31 30 A E G 34 S+ 0 0 119 1,-0.3 -1,-0.3 4,-0.0 -2,-0.0 0.708 103.6 56.8 -66.4 -18.5 11.4 -5.9 1.4 32 31 A E G <4 S+ 0 0 114 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.500 80.8 111.9 -89.3 -7.6 10.4 -7.4 4.8 33 32 A L S << S- 0 0 6 -3,-1.4 -9,-0.0 -4,-0.5 -3,-0.0 -0.432 83.6 -94.8 -65.8 141.5 8.9 -4.1 6.0 34 33 A P > - 0 0 51 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.194 32.5-115.1 -53.3 148.8 5.1 -4.4 6.4 35 34 A D T 3 S+ 0 0 158 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.748 116.3 50.7 -60.6 -23.1 3.2 -3.1 3.4 36 35 A D T 3 S+ 0 0 120 9,-0.1 -1,-0.3 10,-0.1 2,-0.2 0.250 80.3 117.9-102.4 12.8 1.8 -0.3 5.5 37 36 A W < - 0 0 13 -3,-1.9 9,-0.6 -4,-0.0 2,-0.3 -0.577 45.5-171.5 -72.2 141.9 5.1 1.0 6.9 38 37 A V B -D 45 0C 89 -2,-0.2 6,-0.1 7,-0.2 -2,-0.1 -0.893 36.8 -72.0-133.4 162.6 5.8 4.5 5.9 39 38 A C > - 0 0 1 5,-2.7 4,-1.7 -2,-0.3 5,-0.0 -0.347 41.5-141.5 -51.6 124.9 8.7 7.0 6.1 40 39 A P T 4 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.682 95.9 43.5 -69.0 -13.7 8.9 7.9 9.8 41 40 A I T 4 S+ 0 0 153 3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.902 131.9 10.5 -92.8 -53.8 9.7 11.5 8.9 42 41 A C T 4 S- 0 0 48 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.564 92.0-118.4-111.7 -9.4 7.4 12.5 6.0 43 42 A G < + 0 0 34 -4,-1.7 0, 0.0 1,-0.2 0, 0.0 0.533 54.2 158.8 85.3 5.8 4.8 9.7 5.8 44 43 A A - 0 0 5 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.2 -0.351 41.8-114.1 -64.4 141.3 5.7 8.6 2.3 45 44 A P B > -D 38 0C 67 0, 0.0 3,-2.3 0, 0.0 -7,-0.2 -0.259 32.9 -98.4 -70.5 164.0 4.8 5.0 1.2 46 45 A K G > S+ 0 0 46 -9,-0.6 3,-1.7 -11,-0.3 -8,-0.1 0.758 117.1 74.7 -54.3 -27.2 7.4 2.4 0.5 47 46 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.718 88.6 60.4 -59.0 -20.7 7.0 3.1 -3.3 48 47 A E G < S+ 0 0 69 -3,-2.3 -41,-2.9 2,-0.0 2,-0.3 0.184 86.1 96.5 -98.3 16.3 8.9 6.4 -2.8 49 48 A F E < -B 6 0A 18 -3,-1.7 2,-0.4 -43,-0.2 -43,-0.2 -0.808 54.1-161.5-105.0 149.6 12.1 4.8 -1.6 50 49 A E E -B 5 0A 101 -45,-2.1 -45,-2.9 -2,-0.3 2,-0.2 -0.990 22.1-118.6-130.6 136.4 15.1 4.0 -3.7 51 50 A K E B 4 0A 117 -2,-0.4 -47,-0.3 -47,-0.2 -49,-0.0 -0.550 360.0 360.0 -75.8 137.9 18.0 1.6 -2.9 52 51 A L 0 0 138 -49,-2.7 -49,-0.4 -2,-0.2 -1,-0.1 -0.770 360.0 360.0 -93.2 360.0 21.4 3.2 -2.7