==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-MAY-11 3RYG . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR P.MUNSHI,C-L.CHUNG,K.L.WEISS,M.P.BLAKELEY,D.A.A.MYLES,F.MEIL . 51 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 64.7 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 23.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 5.9 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 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.0 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 50 0, 0.0 13,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.2 21.5 -2.0 2.5 2 2 A K E -A 13 0A 91 49,-0.3 49,-2.6 11,-0.2 2,-0.4 -0.939 360.0-166.4-119.8 148.5 20.4 1.6 2.7 3 3 A W E -AB 12 50A 30 9,-2.4 9,-3.7 -2,-0.3 2,-0.4 -0.999 11.2-142.5-136.8 133.2 17.3 3.1 1.1 4 4 A V E -AB 11 49A 36 45,-2.7 45,-2.4 -2,-0.4 2,-0.7 -0.787 15.0-127.0-103.7 139.3 16.5 6.8 0.7 5 5 A C E > - B 0 48A 1 5,-3.1 4,-2.2 -2,-0.4 43,-0.2 -0.758 17.3-152.8 -76.9 115.0 13.2 8.4 0.9 6 6 A K T 4 S+ 0 0 69 41,-2.7 -1,-0.1 -2,-0.7 42,-0.1 0.639 89.8 53.7 -68.7 -13.4 12.9 10.3 -2.3 7 7 A I T 4 S+ 0 0 137 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.942 127.5 5.7 -83.3 -53.2 10.6 12.8 -0.7 8 8 A C T 4 S- 0 0 47 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.541 93.0-110.0-116.5 -9.3 12.5 14.0 2.5 9 9 A G < + 0 0 40 -4,-2.2 -3,-0.1 1,-0.3 2,-0.1 0.492 61.2 151.5 89.2 3.1 16.0 12.5 2.4 10 10 A Y - 0 0 43 -5,-0.2 -5,-3.1 -6,-0.1 2,-0.6 -0.446 37.5-141.3 -61.5 141.3 15.5 10.0 5.3 11 11 A I E -A 4 0A 86 -7,-0.2 2,-0.8 -2,-0.1 -7,-0.2 -0.935 3.1-150.2-109.0 119.2 17.7 7.0 5.0 12 12 A Y E -A 3 0A 0 -9,-3.7 -9,-2.4 -2,-0.6 2,-0.6 -0.797 17.0-166.6 -83.9 115.3 16.3 3.6 5.9 13 13 A D E >> -A 2 0A 38 -2,-0.8 4,-2.3 4,-0.4 3,-1.1 -0.937 15.5-153.5-106.0 119.4 19.3 1.6 7.1 14 14 A E T 34 S+ 0 0 20 -13,-2.5 12,-2.8 -2,-0.6 13,-0.6 0.815 95.5 59.5 -62.8 -29.7 18.6 -2.1 7.4 15 15 A D T 34 S+ 0 0 121 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.773 114.1 37.0 -69.5 -24.8 21.3 -2.4 10.1 16 16 A A T <4 S- 0 0 49 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.754 88.7-170.7 -94.3 -33.2 19.4 0.1 12.2 17 17 A G < - 0 0 4 -4,-2.3 -4,-0.4 10,-0.2 7,-0.2 -0.435 40.3 -88.0 68.6-148.1 15.8 -0.9 11.5 18 18 A D B > > +C 23 0B 14 5,-2.0 3,-2.2 -2,-0.1 5,-1.7 -0.465 51.5 171.0-158.6 63.9 13.1 1.5 12.8 19 19 A P G > 5S+ 0 0 76 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.816 71.9 64.4 -61.9 -33.6 12.5 0.2 16.3 20 20 A D G 3 5S+ 0 0 154 1,-0.3 4,-0.1 2,-0.1 0, 0.0 0.683 109.7 42.7 -62.4 -15.9 10.3 3.1 17.5 21 21 A N G < 5S- 0 0 100 -3,-2.2 -1,-0.3 2,-0.2 3,-0.1 -0.024 132.0 -87.4-121.7 28.6 7.9 2.0 14.8 22 22 A G T < 5S+ 0 0 64 -3,-2.1 2,-0.6 1,-0.2 -2,-0.1 0.661 88.6 123.9 83.7 20.1 8.1 -1.8 15.4 23 23 A I B < -C 18 0B 19 -5,-1.7 -5,-2.0 -7,-0.1 -2,-0.2 -0.940 47.9-149.1-120.1 111.7 11.0 -2.7 13.2 24 24 A S > - 0 0 76 -2,-0.6 3,-1.0 -7,-0.2 -7,-0.1 -0.413 35.8 -83.9 -76.8 154.2 14.0 -4.4 14.8 25 25 A P T 3 S+ 0 0 84 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.259 113.9 37.1 -55.4 142.0 17.5 -4.0 13.5 26 26 A G T 3 S+ 0 0 54 -12,-2.8 2,-0.6 1,-0.3 -11,-0.2 0.517 78.0 142.7 91.7 8.0 18.5 -6.2 10.6 27 27 A T < - 0 0 22 -3,-1.0 -1,-0.3 -13,-0.6 -10,-0.2 -0.729 48.1-131.6 -83.9 121.2 15.1 -6.0 9.0 28 28 A K >> - 0 0 116 -2,-0.6 3,-1.5 1,-0.1 4,-0.6 -0.345 16.6-119.5 -69.1 148.6 15.4 -5.9 5.1 29 29 A F G >4 S+ 0 0 14 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.923 115.5 56.3 -53.6 -46.3 13.4 -3.2 3.3 30 30 A E G 34 S+ 0 0 119 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.663 104.2 55.3 -63.2 -15.6 11.5 -5.9 1.4 31 31 A E G <4 S+ 0 0 119 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.523 80.4 112.9 -92.8 -8.0 10.4 -7.4 4.8 32 32 A L S << S- 0 0 7 -3,-1.8 -9,-0.0 -4,-0.6 -3,-0.0 -0.366 81.6 -95.8 -62.8 143.9 8.9 -4.1 6.0 33 33 A P > - 0 0 47 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.196 29.5-114.5 -58.3 153.7 5.1 -4.4 6.4 34 34 A D T 3 S+ 0 0 152 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.802 117.0 52.9 -60.3 -29.0 3.0 -3.1 3.5 35 35 A D T 3 S+ 0 0 111 9,-0.1 -1,-0.3 10,-0.1 2,-0.2 0.303 81.1 117.1 -93.2 9.9 1.7 -0.3 5.8 36 36 A W < - 0 0 11 -3,-1.8 9,-0.6 8,-0.0 2,-0.3 -0.556 43.0-177.0 -75.4 140.6 5.1 0.9 6.9 37 37 A V B -D 44 0C 90 -2,-0.2 6,-0.1 7,-0.2 -2,-0.0 -0.924 40.2 -72.1-135.4 162.2 5.8 4.5 5.9 38 38 A C > - 0 0 1 5,-2.6 4,-2.2 -2,-0.3 5,-0.1 -0.332 40.9-141.9 -54.7 123.2 8.7 6.9 6.1 39 39 A P T 4 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.717 96.0 44.2 -66.8 -17.4 8.9 7.9 9.8 40 40 A I T 4 S+ 0 0 151 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.936 131.7 9.9 -89.0 -57.3 9.7 11.5 8.9 41 41 A C T 4 S- 0 0 48 2,-0.1 -3,-0.1 -31,-0.0 -1,-0.0 0.476 92.1-117.9-110.1 -4.6 7.4 12.5 6.0 42 42 A G < + 0 0 33 -4,-2.2 0, 0.0 1,-0.2 0, 0.0 0.572 54.6 158.7 81.9 8.1 4.9 9.7 5.8 43 43 A A - 0 0 5 -6,-0.1 -5,-2.6 1,-0.1 -1,-0.2 -0.410 41.2-113.8 -67.3 140.1 5.8 8.6 2.3 44 44 A P B > -D 37 0C 66 0, 0.0 3,-2.3 0, 0.0 -7,-0.2 -0.201 32.6 -98.9 -65.1 163.9 4.8 5.0 1.2 45 45 A K G > S+ 0 0 47 -9,-0.6 3,-2.0 -11,-0.3 -8,-0.1 0.796 117.0 74.0 -52.3 -33.1 7.4 2.4 0.4 46 46 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.742 89.1 61.1 -54.7 -23.4 7.0 3.1 -3.3 47 47 A E G < S+ 0 0 72 -3,-2.3 -41,-2.7 2,-0.0 2,-0.3 0.279 86.0 96.4 -94.0 11.1 8.9 6.4 -2.8 48 48 A F E < -B 5 0A 18 -3,-2.0 2,-0.4 -43,-0.2 -43,-0.2 -0.768 54.2-160.5-100.0 147.4 12.1 4.8 -1.6 49 49 A E E -B 4 0A 109 -45,-2.4 -45,-2.7 -2,-0.3 2,-0.3 -0.990 21.9-119.2-126.8 137.1 15.2 4.0 -3.7 50 50 A K E B 3 0A 114 -2,-0.4 -47,-0.3 -47,-0.2 -2,-0.0 -0.525 360.0 360.0 -73.8 134.4 17.9 1.6 -2.9 51 51 A L 0 0 132 -49,-2.6 -49,-0.3 -2,-0.3 -1,-0.1 -0.498 360.0 360.0 -87.4 360.0 21.4 3.2 -2.6