==== 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 12-MAY-11 3RZT . 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) . 3137.0 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 46 0, 0.0 13,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 159.5 21.3 -2.0 2.5 2 2 A K E -A 13 0A 71 49,-0.3 49,-2.8 11,-0.2 2,-0.4 -0.978 360.0-165.9-124.8 136.7 20.1 1.5 2.7 3 3 A W E -AB 12 50A 29 9,-2.7 9,-3.2 -2,-0.4 2,-0.4 -0.911 11.8-142.0-121.3 143.0 17.1 3.0 1.0 4 4 A V E -AB 11 49A 34 45,-3.0 45,-2.2 -2,-0.4 2,-0.7 -0.880 15.4-126.4-109.8 137.3 16.4 6.7 0.7 5 5 A C E > - B 0 48A 1 5,-3.1 4,-2.5 -2,-0.4 43,-0.2 -0.753 18.1-153.2 -75.1 115.8 13.0 8.3 0.9 6 6 A K T 4 S+ 0 0 84 41,-2.7 -1,-0.2 -2,-0.7 42,-0.1 0.668 89.7 55.0 -68.1 -16.3 12.8 10.3 -2.4 7 7 A I T 4 S+ 0 0 134 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.940 127.5 5.1 -82.8 -48.5 10.4 12.7 -0.7 8 8 A C T 4 S- 0 0 45 2,-0.1 -2,-0.2 35,-0.0 -1,-0.1 0.468 93.0-111.0-124.1 -6.0 12.3 13.8 2.4 9 9 A G < + 0 0 39 -4,-2.5 2,-0.1 1,-0.3 -3,-0.1 0.413 60.8 151.2 91.2 -1.0 15.8 12.3 2.4 10 10 A Y - 0 0 42 -5,-0.1 -5,-3.1 -6,-0.1 2,-0.6 -0.425 37.9-140.9 -62.2 133.5 15.3 9.9 5.2 11 11 A I E -A 4 0A 92 -7,-0.2 2,-0.8 -2,-0.1 -7,-0.2 -0.885 3.5-150.8-101.2 121.1 17.5 6.9 4.9 12 12 A Y E -A 3 0A 0 -9,-3.2 -9,-2.7 -2,-0.6 2,-0.6 -0.823 16.0-165.1 -86.2 113.7 16.1 3.5 5.9 13 13 A D E >> -A 2 0A 42 -2,-0.8 4,-2.3 4,-0.4 3,-1.2 -0.894 14.4-152.5-104.6 118.4 19.1 1.6 7.0 14 14 A E T 34 S+ 0 0 20 -13,-2.7 12,-3.0 -2,-0.6 13,-0.6 0.851 96.5 58.7 -63.3 -28.6 18.3 -2.1 7.3 15 15 A D T 34 S+ 0 0 112 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.783 114.2 36.6 -68.5 -26.7 21.0 -2.4 9.9 16 16 A A T <4 S- 0 0 51 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.713 89.4-172.2 -94.7 -28.6 19.2 0.1 12.1 17 17 A G < - 0 0 4 -4,-2.3 -4,-0.4 1,-0.2 7,-0.2 -0.318 41.4 -84.8 62.1-147.5 15.6 -0.8 11.3 18 18 A D B > > +C 23 0B 12 5,-2.7 5,-2.1 -4,-0.1 3,-1.9 -0.466 52.6 169.9-155.9 63.6 12.9 1.4 12.7 19 19 A P G > 5S+ 0 0 76 0, 0.0 3,-2.2 0, 0.0 5,-0.1 0.819 74.0 62.4 -58.7 -35.6 12.4 0.2 16.2 20 20 A D G 3 5S+ 0 0 159 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.765 109.7 44.1 -63.2 -22.5 10.2 3.1 17.3 21 21 A N G < 5S- 0 0 103 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 0.043 131.3 -89.7-111.6 26.3 7.8 1.9 14.6 22 22 A G T < 5S+ 0 0 63 -3,-2.2 2,-0.6 1,-0.2 -2,-0.1 0.634 89.4 124.3 83.5 15.1 7.9 -1.7 15.3 23 23 A I B < -C 18 0B 18 -5,-2.1 -5,-2.7 -7,-0.1 -2,-0.2 -0.910 47.9-150.9-113.7 111.2 10.8 -2.6 13.0 24 24 A S > - 0 0 75 -2,-0.6 3,-1.1 -7,-0.2 -7,-0.1 -0.336 35.3 -83.3 -75.5 154.0 13.8 -4.3 14.6 25 25 A P T 3 S+ 0 0 80 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.255 113.4 37.1 -56.5 142.3 17.3 -3.9 13.3 26 26 A G T 3 S+ 0 0 50 -12,-3.0 2,-0.6 1,-0.3 -11,-0.2 0.486 78.4 142.8 91.4 5.8 18.3 -6.1 10.4 27 27 A T < - 0 0 22 -3,-1.1 -1,-0.3 -13,-0.6 -10,-0.2 -0.717 49.2-129.8 -79.8 119.6 14.9 -5.9 8.8 28 28 A K >> - 0 0 76 -2,-0.6 3,-1.8 1,-0.1 4,-0.6 -0.351 15.6-120.7 -69.6 143.3 15.1 -5.8 5.0 29 29 A F G >4 S+ 0 0 11 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.887 115.9 55.7 -51.1 -41.7 13.2 -3.1 3.3 30 30 A E G 34 S+ 0 0 110 1,-0.3 -1,-0.3 4,-0.0 -2,-0.0 0.736 103.9 56.6 -68.5 -18.5 11.3 -5.7 1.3 31 31 A E G <4 S+ 0 0 112 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.513 79.9 114.1 -87.7 -6.9 10.3 -7.3 4.7 32 32 A L S << S- 0 0 3 -3,-1.5 4,-0.1 -4,-0.6 -9,-0.0 -0.423 82.2 -96.2 -64.8 139.0 8.7 -4.1 6.0 33 33 A P > - 0 0 51 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.156 31.6-117.2 -48.6 149.1 5.0 -4.4 6.4 34 34 A D T 3 S+ 0 0 158 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.776 116.3 56.4 -64.4 -25.5 3.1 -3.0 3.4 35 35 A D T 3 S+ 0 0 127 9,-0.1 -1,-0.3 10,-0.1 2,-0.3 0.285 81.0 116.6 -89.5 10.3 1.6 -0.4 5.7 36 36 A W < - 0 0 11 -3,-1.9 9,-0.7 -4,-0.1 2,-0.3 -0.592 44.3-175.6 -79.2 139.4 5.0 0.9 6.8 37 37 A V B -D 44 0C 87 -2,-0.3 6,-0.1 7,-0.2 -2,-0.1 -0.915 39.7 -73.2-132.9 162.8 5.7 4.4 5.8 38 38 A C > - 0 0 1 5,-3.0 4,-2.3 -2,-0.3 5,-0.1 -0.337 41.3-142.2 -54.8 124.5 8.6 6.9 6.0 39 39 A P T 4 S+ 0 0 34 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.611 95.7 43.4 -70.9 -12.0 8.7 7.8 9.7 40 40 A I T 4 S+ 0 0 150 3,-0.1 -2,-0.0 -30,-0.0 -3,-0.0 0.895 132.5 10.2 -92.6 -60.6 9.6 11.4 8.8 41 41 A C T 4 S- 0 0 47 2,-0.1 -3,-0.1 -31,-0.0 0, 0.0 0.447 93.0-118.7-109.0 -4.1 7.3 12.4 5.9 42 42 A G < + 0 0 33 -4,-2.3 0, 0.0 1,-0.2 0, 0.0 0.560 53.6 160.1 82.2 8.1 4.8 9.5 5.7 43 43 A A - 0 0 5 -6,-0.1 -5,-3.0 1,-0.1 -1,-0.2 -0.364 40.4-116.0 -65.2 138.1 5.7 8.4 2.2 44 44 A P B > -D 37 0C 69 0, 0.0 3,-2.2 0, 0.0 -7,-0.2 -0.251 33.6 -97.4 -63.4 164.9 4.7 4.9 1.2 45 45 A K G > S+ 0 0 35 -9,-0.7 3,-2.1 -11,-0.3 -8,-0.1 0.767 117.5 74.2 -52.2 -30.7 7.3 2.4 0.4 46 46 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.787 89.9 61.2 -56.7 -24.0 6.9 3.1 -3.3 47 47 A E G < S+ 0 0 60 -3,-2.2 -41,-2.7 2,-0.0 -40,-0.3 0.309 85.9 94.5 -92.5 9.5 8.7 6.3 -2.7 48 48 A F E < -B 5 0A 14 -3,-2.1 2,-0.4 -43,-0.2 -43,-0.2 -0.722 55.1-160.8 -99.1 153.1 11.9 4.7 -1.6 49 49 A E E -B 4 0A 103 -45,-2.2 -45,-3.0 -2,-0.3 2,-0.2 -0.998 21.7-119.7-131.0 135.0 14.9 3.9 -3.7 50 50 A K E B 3 0A 112 -2,-0.4 -47,-0.2 -47,-0.3 0, 0.0 -0.531 360.0 360.0 -72.0 137.1 17.7 1.5 -2.9 51 51 A L 0 0 138 -49,-2.8 -49,-0.3 -2,-0.2 -1,-0.1 -0.680 360.0 360.0 -83.7 360.0 21.1 3.1 -2.7