==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-JAN-05 1YK4 . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR H.BONISCH,C.L.SCHMIDT,P.BIANCO,R.LADENSTEIN . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 57.7 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 . 13 25.0 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 . 4 7.7 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 . 3 5.8 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 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 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 2 A A 0 0 42 0, 0.0 13,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.5 -6.7 20.3 9.3 2 3 A K E -AB 13 51A 88 49,-0.7 49,-2.5 11,-0.2 2,-0.4 -0.950 360.0-168.2-124.2 142.0 -5.0 19.0 6.1 3 4 A L E -AB 12 50A 7 9,-2.4 9,-2.9 -2,-0.4 2,-0.4 -0.996 13.9-139.1-134.7 132.4 -1.3 18.8 5.3 4 5 A S E -AB 11 49A 41 45,-2.6 45,-2.0 -2,-0.4 2,-0.4 -0.717 18.3-125.3 -88.5 136.3 0.3 18.1 1.9 5 6 A C E - B 0 48A 2 5,-2.6 3,-0.4 -2,-0.4 43,-0.2 -0.647 18.2-147.0 -68.1 127.9 3.3 15.8 1.5 6 7 A K S S+ 0 0 96 41,-2.9 -1,-0.1 -2,-0.4 42,-0.1 0.727 92.8 49.9 -66.4 -24.0 5.9 18.0 -0.3 7 8 A I S S+ 0 0 105 40,-0.2 2,-0.3 3,-0.0 -1,-0.2 0.528 118.9 9.9-103.2 -15.9 7.3 15.0 -2.2 8 9 A C S S- 0 0 38 -3,-0.4 -3,-0.1 2,-0.2 33,-0.0 -0.886 86.6 -85.6-149.1-172.4 4.2 13.2 -3.6 9 10 A G S S+ 0 0 72 -2,-0.3 -3,-0.0 -5,-0.1 2,-0.0 0.481 80.0 122.4 -80.9 -0.2 0.4 13.8 -4.1 10 11 A Y - 0 0 37 -6,-0.1 -5,-2.6 1,-0.0 2,-0.4 -0.320 42.7-163.6 -66.1 146.8 -0.6 12.5 -0.7 11 12 A I E -A 4 0A 84 -7,-0.2 2,-0.7 37,-0.0 -7,-0.2 -0.999 11.6-145.5-128.5 122.3 -2.6 14.7 1.7 12 13 A Y E -A 3 0A 0 -9,-2.9 -9,-2.4 -2,-0.4 2,-0.6 -0.836 17.3-170.3 -86.7 113.6 -2.8 13.8 5.4 13 14 A D E >> -A 2 0A 27 -2,-0.7 3,-2.0 4,-0.4 4,-2.0 -0.940 19.6-145.9-104.1 120.1 -6.3 14.9 6.6 14 15 A E T 34 S+ 0 0 38 -13,-2.8 12,-2.2 -2,-0.6 13,-0.3 0.814 101.5 57.8 -54.1 -32.0 -6.6 14.7 10.4 15 16 A D T 34 S+ 0 0 115 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.643 112.3 41.0 -73.9 -15.5 -10.3 13.7 9.9 16 17 A E T <4 S- 0 0 125 -3,-2.0 -2,-0.2 9,-0.2 -1,-0.2 0.719 87.4-170.8 -93.7 -32.5 -9.1 10.7 7.8 17 18 A G < - 0 0 3 -4,-2.0 -4,-0.4 10,-0.2 7,-0.2 -0.310 43.4 -82.3 64.1-159.3 -6.1 9.5 9.8 18 19 A D B > > +C 23 0B 10 5,-1.7 5,-2.1 -6,-0.1 3,-1.3 -0.620 58.0 168.5-139.1 67.2 -3.9 6.8 8.1 19 20 A P G > 5 + 0 0 88 0, 0.0 3,-1.5 0, 0.0 5,-0.1 0.789 67.5 62.5 -66.2 -31.3 -6.0 3.7 9.1 20 21 A D G 3 5S+ 0 0 157 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.792 111.1 41.6 -64.6 -24.1 -4.2 1.2 6.8 21 22 A N G < 5S- 0 0 107 -3,-1.3 -1,-0.3 2,-0.2 3,-0.1 0.169 130.3 -91.0-107.8 15.2 -1.0 1.8 8.8 22 23 A G T < 5S+ 0 0 66 -3,-1.5 2,-0.6 1,-0.2 -2,-0.1 0.655 85.0 126.3 90.4 19.3 -2.7 2.0 12.3 23 24 A I B < -C 18 0B 21 -5,-2.1 -5,-1.7 -7,-0.1 -1,-0.2 -0.933 53.6-136.6-110.2 113.1 -3.5 5.7 12.7 24 25 A S > - 0 0 81 -2,-0.6 3,-1.6 -7,-0.2 -7,-0.1 -0.283 28.4 -90.7 -67.3 151.5 -7.2 6.2 13.5 25 26 A P T 3 S+ 0 0 85 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.291 113.7 38.7 -52.6 143.4 -9.3 8.9 11.9 26 27 A G T 3 S+ 0 0 48 -12,-2.2 2,-0.5 1,-0.3 -11,-0.2 0.318 77.4 142.2 90.6 -1.0 -9.2 12.1 14.0 27 28 A T < - 0 0 32 -3,-1.6 -1,-0.3 -13,-0.3 -10,-0.2 -0.560 48.4-132.4 -74.7 119.9 -5.5 11.8 14.9 28 29 A K >> - 0 0 89 -2,-0.5 3,-1.6 1,-0.1 4,-0.6 -0.361 16.5-117.1 -68.7 151.7 -4.0 15.3 14.8 29 30 A F G >4 S+ 0 0 43 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.900 116.7 58.9 -55.0 -41.0 -0.7 15.8 13.0 30 31 A E G 34 S+ 0 0 134 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.739 105.3 51.3 -59.7 -24.3 0.9 16.8 16.3 31 32 A D G <4 S+ 0 0 96 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.430 79.2 111.2 -96.1 -4.3 -0.0 13.3 17.6 32 33 A L S << S- 0 0 3 -3,-1.5 4,-0.1 -4,-0.6 -9,-0.0 -0.536 82.1-103.8 -62.5 138.3 1.4 11.3 14.7 33 34 A P > - 0 0 57 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.184 26.0-110.1 -66.7 160.4 4.4 9.4 16.2 34 35 A D T 3 S+ 0 0 158 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.710 117.4 58.7 -66.8 -15.9 7.7 10.7 15.3 35 36 A D T 3 S+ 0 0 135 9,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.209 79.0 121.1 -96.1 12.0 8.3 7.5 13.1 36 37 A W < + 0 0 14 -3,-2.3 9,-0.7 -4,-0.1 2,-0.3 -0.605 39.2 179.3 -74.6 141.4 5.4 8.2 11.0 37 38 A V B -D 44 0C 68 -2,-0.3 6,-0.1 7,-0.2 5,-0.1 -0.899 41.1 -74.5-133.0 163.5 6.0 8.7 7.3 38 39 A C > - 0 0 3 5,-2.9 4,-2.0 -2,-0.3 7,-0.0 -0.305 39.9-136.2 -54.0 131.2 4.0 9.4 4.2 39 40 A P T 4 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.604 100.1 38.8 -66.5 -17.5 2.0 6.2 3.2 40 41 A L T 4 S+ 0 0 128 3,-0.1 -2,-0.1 -32,-0.0 -31,-0.0 0.786 133.6 11.8 -98.9 -43.2 2.9 6.6 -0.4 41 42 A C T 4 S- 0 0 57 2,-0.1 -3,-0.1 -33,-0.0 0, 0.0 0.440 89.4-119.2-122.5 -2.7 6.5 7.9 -0.6 42 43 A G < + 0 0 40 -4,-2.0 0, 0.0 1,-0.2 0, 0.0 0.527 53.8 157.2 78.4 5.9 8.0 7.5 2.9 43 44 A A - 0 0 8 -6,-0.1 -5,-2.9 1,-0.1 -1,-0.2 -0.355 40.6-117.1 -66.5 145.8 8.7 11.2 3.4 44 45 A P B > -D 37 0C 59 0, 0.0 3,-2.4 0, 0.0 -7,-0.2 -0.181 29.3 -94.5 -79.6 173.5 9.0 12.2 7.2 45 46 A K G > S+ 0 0 37 -9,-0.7 3,-1.8 1,-0.3 -8,-0.1 0.814 121.7 67.8 -56.3 -33.4 6.8 14.6 9.1 46 47 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.610 94.5 58.7 -63.2 -13.5 9.3 17.4 8.4 47 48 A E G < S+ 0 0 73 -3,-2.4 -41,-2.9 2,-0.0 2,-0.3 0.226 88.4 92.5-102.6 16.4 8.3 17.2 4.7 48 49 A F E < -B 5 0A 8 -3,-1.8 2,-0.4 -43,-0.2 -43,-0.2 -0.826 53.0-172.6-106.7 146.0 4.6 17.9 5.3 49 50 A E E -B 4 0A 126 -45,-2.0 -45,-2.6 -2,-0.3 -3,-0.0 -0.999 29.7-104.1-137.7 137.2 3.1 21.4 5.2 50 51 A R E -B 3 0A 165 -2,-0.4 2,-0.3 -47,-0.3 -47,-0.3 -0.289 39.0-179.6 -55.6 139.9 -0.4 22.7 6.1 51 52 A I E B 2 0A 69 -49,-2.5 -49,-0.7 0, 0.0 -1,-0.0 -0.897 360.0 360.0-128.8 162.9 -2.7 23.5 3.2 52 53 A E 0 0 238 -2,-0.3 -49,-0.0 -51,-0.1 0, 0.0 -0.534 360.0 360.0 -66.2 360.0 -6.4 24.8 3.2