==== 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 3KYW . 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) . 3451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 61.1 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 . 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 . 3 5.6 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 99 0, 0.0 2,-0.1 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0-170.8 23.1 -4.4 4.9 2 1 A A - 0 0 22 12,-0.1 13,-2.6 13,-0.0 2,-0.4 -0.368 360.0-145.0 -88.2 161.5 21.5 -2.0 2.4 3 2 A K E -A 14 0A 63 49,-0.3 49,-3.0 11,-0.2 2,-0.4 -0.946 11.4-166.7-121.8 142.7 20.3 1.6 2.7 4 3 A W E -AB 13 51A 30 9,-2.2 9,-3.0 -2,-0.4 2,-0.4 -0.994 11.2-141.6-131.0 134.2 17.3 3.1 1.0 5 4 A V E -AB 12 50A 37 45,-2.7 45,-2.1 -2,-0.4 2,-0.7 -0.805 14.2-128.4-102.2 139.6 16.4 6.8 0.6 6 5 A C E > - B 0 49A 1 5,-2.9 4,-2.2 -2,-0.4 43,-0.2 -0.734 18.9-152.6 -76.3 114.8 13.0 8.4 0.9 7 6 A K T 4 S+ 0 0 104 41,-2.8 -1,-0.1 -2,-0.7 42,-0.1 0.662 89.1 53.0 -70.0 -14.5 12.9 10.4 -2.4 8 7 A I T 4 S+ 0 0 137 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.936 128.4 6.7 -82.6 -52.2 10.5 12.9 -0.8 9 8 A C T 4 S- 0 0 46 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.566 92.4-113.6-114.4 -12.6 12.4 13.9 2.4 10 9 A G < + 0 0 37 -4,-2.2 -3,-0.1 1,-0.3 2,-0.1 0.428 58.6 151.1 89.8 0.5 15.9 12.4 2.4 11 10 A Y - 0 0 42 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.6 -0.396 38.7-139.4 -57.7 140.4 15.4 10.0 5.3 12 11 A I E -A 5 0A 93 -7,-0.2 2,-0.8 -2,-0.1 -7,-0.2 -0.935 3.7-150.1-108.2 117.6 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 17.3-164.6 -81.5 113.5 16.2 3.6 5.9 14 13 A D E >> -A 3 0A 46 -2,-0.8 4,-2.0 4,-0.4 3,-1.3 -0.916 14.6-152.0-104.2 113.6 19.2 1.7 7.0 15 14 A E T 34 S+ 0 0 10 -13,-2.6 12,-2.7 -2,-0.6 13,-0.5 0.831 96.7 58.4 -57.3 -31.1 18.6 -2.1 7.3 16 15 A D T 34 S+ 0 0 82 -14,-0.3 -1,-0.3 1,-0.2 -13,-0.1 0.783 114.4 36.7 -69.0 -26.8 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 0.710 88.3-171.7 -91.5 -27.1 19.4 0.1 12.2 18 17 A G < - 0 0 4 -4,-2.0 -4,-0.4 10,-0.2 7,-0.2 -0.300 41.4 -84.9 59.7-148.1 15.8 -0.8 11.4 19 18 A D B > > +C 24 0B 12 5,-2.0 5,-1.9 -4,-0.1 3,-1.9 -0.516 51.9 171.2-153.4 64.6 13.1 1.5 12.8 20 19 A P G > 5S+ 0 0 80 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.809 72.6 62.1 -63.0 -29.7 12.6 0.3 16.3 21 20 A D G 3 5S+ 0 0 149 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.660 110.5 43.0 -67.4 -17.6 10.3 3.1 17.4 22 21 A N G < 5S- 0 0 100 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 0.007 131.9 -87.6-117.0 25.4 7.9 2.0 14.8 23 22 A G T < 5S+ 0 0 63 -3,-1.7 2,-0.6 1,-0.2 -2,-0.1 0.644 87.9 123.1 89.8 15.7 8.1 -1.7 15.4 24 23 A I B < -C 19 0B 19 -5,-1.9 -5,-2.0 -7,-0.1 -1,-0.2 -0.929 48.7-146.3-120.0 112.1 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 -0.313 35.9 -84.8 -72.4 153.5 14.0 -4.4 14.7 26 25 A P T 3 S+ 0 0 83 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.314 114.1 37.3 -53.7 140.4 17.6 -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 0.502 76.9 140.9 91.7 7.0 18.4 -6.1 10.5 28 27 A T < - 0 0 25 -3,-1.1 -1,-0.3 -13,-0.5 -10,-0.2 -0.737 49.2-131.4 -85.8 119.3 15.0 -6.0 8.8 29 28 A K > - 0 0 76 -2,-0.6 3,-1.5 1,-0.1 4,-0.5 -0.353 17.7-117.5 -65.4 149.9 15.4 -5.8 5.1 30 29 A F G > S+ 0 0 13 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.895 116.7 55.9 -56.6 -40.7 13.4 -3.2 3.3 31 30 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.716 103.8 56.4 -65.2 -19.8 11.5 -5.9 1.4 32 31 A E G < S+ 0 0 114 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.474 80.8 112.6 -89.1 -6.1 10.5 -7.4 4.8 33 32 A L S < S- 0 0 4 -3,-1.5 -9,-0.0 -4,-0.5 -3,-0.0 -0.443 82.5 -94.7 -66.4 144.5 8.9 -4.2 6.0 34 33 A P > - 0 0 53 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.199 32.9-114.3 -56.3 149.4 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 0.750 117.0 49.8 -59.2 -26.6 3.1 -3.2 3.4 36 35 A D T 3 S+ 0 0 128 9,-0.1 -1,-0.3 10,-0.1 2,-0.2 0.291 79.7 119.0 -99.5 8.9 1.8 -0.3 5.6 37 36 A W < - 0 0 13 -3,-2.0 9,-0.6 8,-0.0 2,-0.3 -0.529 45.2-172.2 -63.0 138.3 5.1 0.9 6.9 38 37 A V B -D 45 0C 88 -2,-0.2 6,-0.1 7,-0.2 -2,-0.1 -0.894 37.1 -71.8-130.0 165.8 5.8 4.5 5.9 39 38 A C > - 0 0 1 5,-2.8 4,-1.8 -2,-0.3 5,-0.0 -0.343 41.5-141.3 -53.7 126.2 8.6 6.9 6.1 40 39 A P T 4 S+ 0 0 34 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.677 96.0 43.4 -70.0 -14.4 8.9 7.9 9.8 41 40 A I T 4 S+ 0 0 152 3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.903 132.4 9.6 -92.5 -55.5 9.7 11.5 8.8 42 41 A C T 4 S- 0 0 48 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.567 92.1-118.1-110.4 -11.7 7.3 12.4 6.0 43 42 A G < + 0 0 33 -4,-1.8 0, 0.0 1,-0.2 0, 0.0 0.494 54.2 159.0 84.2 8.1 4.8 9.5 5.8 44 43 A A - 0 0 6 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.322 41.1-114.0 -64.1 141.3 5.7 8.5 2.3 45 44 A P B > -D 38 0C 67 0, 0.0 3,-2.2 0, 0.0 -7,-0.2 -0.236 32.4 -97.4 -67.1 164.9 4.8 5.0 1.2 46 45 A K G > S+ 0 0 40 -9,-0.6 3,-2.0 -11,-0.3 -8,-0.1 0.797 117.7 73.1 -51.5 -33.5 7.3 2.3 0.4 47 46 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.691 89.2 61.6 -57.0 -21.6 6.9 3.1 -3.3 48 47 A E G < S+ 0 0 61 -3,-2.2 -41,-2.8 2,-0.0 2,-0.3 0.222 86.0 94.8 -94.1 11.8 8.8 6.3 -2.8 49 48 A F E < -B 6 0A 14 -3,-2.0 2,-0.4 -43,-0.2 -43,-0.2 -0.786 54.3-161.6-103.6 148.3 12.1 4.8 -1.6 50 49 A E E -B 5 0A 95 -45,-2.1 -45,-2.7 -2,-0.3 2,-0.3 -0.991 23.5-117.4-127.6 136.2 15.1 3.9 -3.8 51 50 A K E -B 4 0A 72 -2,-0.4 2,-1.4 -47,-0.3 -47,-0.3 -0.536 24.0-126.7 -73.4 135.8 17.9 1.5 -2.9 52 51 A L S S+ 0 0 106 -49,-3.0 -49,-0.3 -2,-0.3 2,-0.3 -0.681 71.3 104.2 -88.7 90.0 21.3 3.2 -2.6 53 52 A E 0 0 131 -2,-1.4 -2,-0.0 1,-0.2 -51,-0.0 -0.930 360.0 360.0-160.3 155.5 23.1 0.9 -5.0 54 53 A D 0 0 200 -2,-0.3 -1,-0.2 0, 0.0 -3,-0.1 0.685 360.0 360.0 -91.8 360.0 24.4 1.2 -8.6