==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-MAY-99 1QCV . COMPND 2 MOLECULE: PROTEIN (RUBREDOXIN VARIANT PFRD-XC4); . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR P.STROP,S.L.MAYO . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 49.1 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 . 7 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 3.8 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 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 11.3 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 . 0 1 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 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 67 0, 0.0 13,-1.0 0, 0.0 14,-0.5 0.000 360.0 360.0 360.0 150.0 3.3 -7.5 -3.9 2 2 A K E -A 13 0A 76 11,-0.2 49,-0.8 12,-0.1 2,-0.4 -0.713 360.0-136.6-122.8 175.8 3.0 -4.5 -1.5 3 3 A W E -AB 12 50A 28 9,-0.6 9,-1.9 -2,-0.2 47,-0.3 -0.895 15.6-159.1-138.9 108.1 1.8 -0.9 -1.8 4 4 A V E -AB 11 49A 38 45,-2.7 45,-1.5 -2,-0.4 2,-0.8 -0.601 15.1-134.6 -87.7 147.8 3.7 2.0 -0.1 5 5 A L >> - 0 0 0 5,-1.1 4,-2.3 -2,-0.2 3,-1.1 -0.837 7.4-155.4-102.6 101.2 2.0 5.4 0.6 6 6 A K T 34 S+ 0 0 167 -2,-0.8 -1,-0.1 41,-0.3 42,-0.1 0.757 89.7 68.8 -47.5 -24.7 4.4 8.2 -0.5 7 7 A I T 34 S- 0 0 85 40,-0.4 -1,-0.2 1,-0.1 35,-0.1 0.959 132.8 -16.3 -63.2 -49.9 2.7 10.4 2.1 8 8 A T T <4 S- 0 0 95 -3,-1.1 -2,-0.2 33,-0.1 -1,-0.1 0.613 95.3 -99.8-127.6 -30.0 4.1 8.6 5.1 9 9 A G < + 0 0 38 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.639 56.3 166.1 113.3 23.9 5.4 5.1 3.9 10 10 A Y - 0 0 60 -5,-0.5 -5,-1.1 31,-0.1 2,-0.5 -0.534 21.6-154.0 -72.3 131.8 2.4 2.9 4.9 11 11 A I E -A 4 0A 77 -2,-0.3 2,-0.8 -7,-0.2 -7,-0.2 -0.922 7.2-153.1-113.6 123.2 2.7 -0.5 3.1 12 12 A Y E -A 3 0A 0 -9,-1.9 2,-1.8 -2,-0.5 -9,-0.6 -0.790 14.2-144.8 -91.7 113.2 -0.3 -2.7 2.4 13 13 A D E >> -A 2 0A 67 -2,-0.8 4,-4.2 4,-0.3 3,-2.3 -0.560 15.4-173.0 -79.4 87.1 0.9 -6.4 2.3 14 14 A E T 34 S+ 0 0 32 -2,-1.8 13,-0.6 -13,-1.0 -1,-0.2 0.757 79.7 71.3 -53.9 -21.4 -1.5 -7.6 -0.5 15 15 A D T 34 S+ 0 0 132 -14,-0.5 -1,-0.3 11,-0.2 -13,-0.1 0.867 121.5 13.0 -64.7 -31.5 -0.1 -11.1 0.3 16 16 A A T <4 S- 0 0 54 -3,-2.3 2,-0.7 1,-0.2 10,-0.7 0.702 98.8-142.9-111.8 -35.1 -2.1 -11.0 3.6 17 17 A G < - 0 0 2 -4,-4.2 -4,-0.3 8,-0.3 -1,-0.2 -0.882 47.3 -54.5 109.6-107.1 -4.3 -8.0 3.0 18 18 A D > > - 0 0 14 -2,-0.7 5,-0.9 5,-0.3 3,-0.6 -0.394 37.9-175.0-176.3 90.5 -4.9 -5.8 6.1 19 19 A P T 3 5S+ 0 0 119 0, 0.0 3,-0.2 0, 0.0 -1,-0.0 0.730 92.3 58.5 -65.1 -19.3 -6.2 -7.3 9.4 20 20 A D T 3 5S+ 0 0 152 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.832 110.8 40.3 -79.2 -30.3 -6.2 -3.7 10.8 21 21 A N T < 5S- 0 0 64 -3,-0.6 -1,-0.2 2,-0.0 16,-0.1 0.352 113.5-118.2 -97.3 6.3 -8.6 -2.6 8.0 22 22 A G T 5 + 0 0 64 -4,-0.4 2,-0.3 -3,-0.2 -2,-0.1 0.991 59.0 154.9 56.3 70.1 -10.7 -5.8 8.2 23 23 A I < - 0 0 44 -5,-0.9 -5,-0.3 -7,-0.1 -1,-0.1 -0.827 48.5 -82.2-126.4 166.7 -10.1 -7.0 4.6 24 24 A S - 0 0 67 -2,-0.3 2,-0.5 1,-0.1 3,-0.3 -0.338 53.0-100.4 -65.4 148.1 -10.0 -10.4 2.8 25 25 A P S S+ 0 0 116 0, 0.0 -8,-0.3 0, 0.0 -9,-0.1 -0.566 105.7 12.1 -72.3 119.1 -6.8 -12.5 3.1 26 26 A G S S+ 0 0 40 -10,-0.7 2,-0.5 -2,-0.5 -11,-0.2 0.970 84.4 168.9 78.3 71.3 -4.8 -11.9 -0.1 27 27 A T - 0 0 18 -13,-0.6 2,-0.4 -3,-0.3 -1,-0.2 -0.961 38.5-122.1-122.5 122.6 -6.5 -9.0 -1.8 28 28 A K >> - 0 0 107 -2,-0.5 3,-3.4 1,-0.2 4,-0.9 -0.418 17.4-143.5 -60.8 114.8 -5.1 -7.0 -4.7 29 29 A F T 34 S+ 0 0 0 -2,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.837 102.5 59.6 -51.1 -30.0 -4.8 -3.4 -3.5 30 30 A E T 34 S+ 0 0 102 1,-0.2 -1,-0.3 15,-0.0 -2,-0.1 0.532 110.0 42.3 -77.2 -2.9 -5.8 -2.4 -7.1 31 31 A E T <4 S+ 0 0 140 -3,-3.4 -1,-0.2 2,-0.0 -2,-0.2 0.446 83.4 120.4-120.3 -3.9 -9.1 -4.4 -6.7 32 32 A L < - 0 0 20 -4,-0.9 2,-0.1 -3,-0.5 13,-0.1 -0.196 65.5-111.5 -58.8 156.5 -10.1 -3.4 -3.1 33 33 A P > - 0 0 74 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.305 30.6 -97.8 -84.3 172.7 -13.5 -1.6 -2.8 34 34 A D T 3 S+ 0 0 151 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.728 114.8 81.5 -64.9 -16.5 -14.0 2.0 -1.8 35 35 A D T 3 S+ 0 0 148 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.727 79.3 81.6 -61.9 -16.1 -14.7 0.8 1.8 36 36 A W < + 0 0 6 -3,-1.9 2,-0.2 0, 0.0 -14,-0.0 -0.773 54.3 143.0 -93.4 129.9 -10.9 0.7 2.1 37 37 A V - 0 0 73 -2,-0.5 6,-0.1 -16,-0.1 8,-0.1 -0.772 41.1-130.0-167.4 117.1 -9.2 4.0 2.9 38 38 A A - 0 0 8 5,-0.6 4,-0.1 -2,-0.2 -17,-0.0 0.026 43.0 -84.8 -58.7 177.2 -6.1 4.8 5.2 39 39 A P S S- 0 0 91 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.235 74.3 -54.1 -69.3-160.6 -6.4 7.5 7.8 40 40 A I S S+ 0 0 171 1,-0.2 2,-1.7 3,-0.1 -2,-0.1 0.859 126.4 78.3 -48.9 -36.1 -5.7 11.2 7.0 41 41 A T S S- 0 0 35 2,-0.1 -1,-0.2 -34,-0.0 -33,-0.1 -0.541 118.6 -33.9 -77.6 87.5 -2.3 10.2 5.5 42 42 A G + 0 0 7 -2,-1.7 3,-0.1 -4,-0.1 6,-0.1 -0.029 62.6 174.4 84.4 164.7 -3.5 8.9 2.1 43 43 A A + 0 0 24 1,-0.4 -5,-0.6 -6,-0.1 -2,-0.1 0.119 52.1 61.7-169.2 -62.7 -6.8 7.1 1.5 44 44 A P S S- 0 0 67 0, 0.0 -1,-0.4 0, 0.0 -6,-0.2 0.085 84.0-108.5 -70.3-170.8 -7.7 6.2 -2.1 45 45 A K S > S+ 0 0 47 1,-0.1 3,-2.6 2,-0.1 -15,-0.0 0.884 112.2 61.0 -89.3 -45.7 -5.7 3.8 -4.3 46 46 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 3,-0.0 -16,-0.0 0.752 96.0 65.8 -54.8 -21.6 -4.2 6.4 -6.7 47 47 A E T 3 S+ 0 0 102 -42,-0.0 -40,-0.4 2,-0.0 -1,-0.3 0.394 96.6 69.6 -83.6 7.2 -2.5 8.0 -3.7 48 48 A F < - 0 0 16 -3,-2.6 2,-0.3 -43,-0.2 -43,-0.2 -0.401 69.6-142.5-109.8-169.0 -0.3 4.9 -3.1 49 49 A E E -B 4 0A 68 -45,-1.5 -45,-2.7 -2,-0.1 -3,-0.0 -0.870 16.9-123.8-160.1 121.3 2.6 3.3 -5.0 50 50 A K E -B 3 0A 64 -2,-0.3 -47,-0.2 -47,-0.3 -46,-0.1 0.118 27.2-114.8 -54.2 179.7 3.4 -0.4 -5.6 51 51 A L S S+ 0 0 96 -49,-0.8 -1,-0.1 -48,-0.1 -48,-0.1 0.594 75.2 118.7 -96.9 -12.5 6.8 -1.8 -4.5 52 52 A E 0 0 125 -50,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.144 360.0 360.0 -52.4 148.7 8.1 -2.6 -8.1 53 53 A D 0 0 213 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.773 360.0 360.0 -59.3 360.0 11.2 -0.7 -9.1