==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 12-JUL-07 2QL0 . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR B.J.GOODFELLOW,S.G.NUNES,B.F.VOLKMAN,J.G.MOURA,A.L.MACEDO, . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 40.4 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 13.5 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 . 2 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 11.5 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 . 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 M 0 0 219 0, 0.0 2,-0.4 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 64.0 2.6 0.4 -1.6 2 2 A K - 0 0 126 49,-0.0 28,-0.3 50,-0.0 2,-0.2 -0.970 360.0-152.4-124.8 138.1 1.6 -3.2 -1.2 3 3 A K - 0 0 76 -2,-0.4 49,-1.4 11,-0.1 2,-0.3 -0.687 10.5-164.6-106.0 160.5 -1.1 -5.1 -2.9 4 4 A Y E -AB 13 51A 60 9,-0.6 9,-1.9 47,-0.3 2,-0.3 -0.902 7.6-147.2-139.9 167.1 -3.1 -8.1 -1.7 5 5 A V E -AB 12 50A 44 45,-1.3 45,-2.0 -2,-0.3 7,-0.2 -0.989 24.7-111.0-139.2 146.2 -5.4 -10.8 -3.1 6 6 A C E - B 0 49A 4 5,-2.8 43,-0.2 -2,-0.3 40,-0.1 -0.488 14.0-155.1 -75.6 144.9 -8.3 -12.7 -1.6 7 7 A T S S+ 0 0 84 41,-1.3 -1,-0.1 -2,-0.2 42,-0.1 0.058 89.9 52.4-106.8 21.6 -7.8 -16.4 -0.9 8 8 A V S S+ 0 0 86 3,-0.1 -1,-0.1 40,-0.1 41,-0.0 0.672 128.6 8.8-119.6 -47.6 -11.5 -17.2 -1.2 9 9 A C S S- 0 0 59 2,-0.1 -2,-0.1 0, 0.0 -4,-0.0 0.814 95.0-121.1-101.9 -49.9 -12.5 -15.8 -4.5 10 10 A G + 0 0 56 1,-0.3 2,-0.3 0, 0.0 -3,-0.1 0.633 58.1 145.6 111.2 26.3 -9.2 -14.8 -6.0 11 11 A Y - 0 0 82 0, 0.0 -5,-2.8 0, 0.0 2,-0.3 -0.754 39.7-138.2 -98.0 142.2 -9.8 -11.1 -6.5 12 12 A E E -A 5 0A 130 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.768 11.9-135.4-100.4 144.0 -7.0 -8.5 -6.1 13 13 A Y E -A 4 0A 2 -9,-1.9 -9,-0.6 -2,-0.3 17,-0.1 -0.836 7.4-155.7-101.8 134.4 -7.5 -5.2 -4.4 14 14 A D >> + 0 0 45 -2,-0.4 3,-0.9 4,-0.2 4,-0.6 -0.880 14.4 176.5-112.5 98.9 -6.2 -1.9 -5.9 15 15 A P T 34 S+ 0 0 16 0, 0.0 13,-0.5 0, 0.0 -1,-0.1 0.561 75.1 76.9 -75.0 -8.7 -5.7 0.7 -3.2 16 16 A A T 34 S+ 0 0 73 1,-0.2 13,-0.1 2,-0.1 -2,-0.0 0.852 112.5 21.5 -68.1 -35.7 -4.3 2.9 -5.9 17 17 A E T <4 S- 0 0 118 -3,-0.9 -1,-0.2 1,-0.2 10,-0.1 0.389 107.6-145.8-109.9 -2.8 -7.8 3.6 -7.1 18 18 A G < - 0 0 2 -4,-0.6 -1,-0.2 8,-0.3 -4,-0.2 -0.027 29.1 -74.3 63.7-173.1 -9.4 2.7 -3.8 19 19 A D >>> + 0 0 8 6,-0.4 5,-2.6 1,-0.1 4,-1.3 -0.776 52.0 162.8-125.3 85.0 -12.8 1.0 -3.6 20 20 A P T 345 + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.616 69.7 77.5 -75.1 -13.3 -15.5 3.6 -4.4 21 21 A D T 345S+ 0 0 143 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.722 109.0 28.6 -66.9 -21.2 -17.9 0.7 -5.0 22 22 A N T <45S- 0 0 87 -3,-1.1 -1,-0.2 2,-0.1 0, 0.0 0.648 127.1 -94.8-108.4 -27.7 -18.1 0.4 -1.2 23 23 A G T <5S+ 0 0 58 -4,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.335 74.9 144.7 125.0 1.2 -17.4 4.1 -0.4 24 24 A V < - 0 0 22 -5,-2.6 -1,-0.3 1,-0.1 -2,-0.1 -0.470 51.1-115.6 -71.7 139.6 -13.7 3.8 0.1 25 25 A K > - 0 0 143 -2,-0.2 3,-0.6 -7,-0.1 -6,-0.4 -0.358 15.8-121.4 -73.9 155.9 -11.7 6.8 -1.0 26 26 A P T 3 S+ 0 0 90 0, 0.0 -8,-0.3 0, 0.0 -1,-0.1 0.489 110.5 62.4 -75.0 -2.9 -9.1 6.5 -3.9 27 27 A G T 3 S+ 0 0 60 -10,-0.1 2,-0.4 2,-0.1 -11,-0.1 -0.355 78.3 105.9-118.0 49.6 -6.6 7.7 -1.4 28 28 A T < - 0 0 18 -3,-0.6 -10,-0.1 -13,-0.5 -9,-0.1 -0.957 54.0-152.3-134.8 114.4 -6.7 4.9 1.1 29 29 A S >> - 0 0 59 -2,-0.4 4,-2.1 1,-0.1 3,-0.7 -0.276 34.6-102.9 -77.8 167.6 -4.0 2.3 1.5 30 30 A F T 34 S+ 0 0 27 -28,-0.3 -1,-0.1 1,-0.3 -27,-0.0 0.825 127.6 49.3 -59.0 -33.4 -4.6 -1.2 2.7 31 31 A D T 34 S+ 0 0 154 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.684 112.4 48.6 -78.4 -19.7 -3.1 -0.1 6.0 32 32 A D T <4 S+ 0 0 100 -3,-0.7 -2,-0.2 2,-0.0 -1,-0.2 0.708 88.6 111.4 -89.5 -25.1 -5.4 2.9 6.0 33 33 A L S < S- 0 0 13 -4,-2.1 -4,-0.1 1,-0.1 -3,-0.0 0.032 78.6 -93.5 -45.1 158.7 -8.4 0.7 5.2 34 34 A P > - 0 0 62 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.245 20.6-123.4 -74.9 166.4 -11.0 0.4 8.0 35 35 A A T 3 S+ 0 0 111 1,-0.2 11,-0.1 -3,-0.1 -2,-0.1 0.637 112.7 57.0 -83.0 -16.4 -11.1 -2.3 10.5 36 36 A D T 3 S+ 0 0 156 9,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.172 82.5 129.0-105.6 36.7 -14.6 -3.1 9.4 37 37 A W < - 0 0 13 -3,-0.7 2,-0.3 -4,-0.0 9,-0.2 -0.608 34.9-174.1 -91.8 153.7 -13.6 -3.7 5.8 38 38 A V - 0 0 63 -2,-0.2 -2,-0.0 7,-0.1 8,-0.0 -0.989 37.6 -80.3-148.0 150.7 -14.5 -6.8 3.9 39 39 A C - 0 0 3 5,-1.4 7,-0.0 -2,-0.3 -26,-0.0 -0.216 33.5-137.5 -50.9 135.4 -13.8 -8.2 0.5 40 40 A P S S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 -27,-0.0 0.491 102.4 52.9 -75.0 -3.2 -15.9 -6.5 -2.2 41 41 A V S S- 0 0 78 -30,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.899 137.7 -16.5 -93.5 -60.8 -16.4 -10.0 -3.7 42 42 A C S S- 0 0 77 2,-0.1 -4,-0.0 0, 0.0 0, 0.0 0.762 91.4-104.9-109.0 -70.3 -17.6 -12.0 -0.7 43 43 A G + 0 0 39 2,-0.1 -5,-0.0 -6,-0.0 -6,-0.0 0.500 56.3 150.7 136.2 61.0 -16.9 -10.2 2.5 44 44 A A - 0 0 14 1,-0.1 -5,-1.4 2,-0.0 -3,-0.1 -0.741 44.4-100.6-113.2 162.1 -14.0 -11.6 4.4 45 45 A P > - 0 0 75 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.204 40.8 -97.8 -75.0 169.8 -11.4 -10.0 6.8 46 46 A K G > S+ 0 0 55 1,-0.3 3,-1.7 2,-0.2 -8,-0.1 0.668 116.9 82.4 -60.9 -15.6 -7.9 -9.1 5.8 47 47 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.681 92.6 47.3 -62.4 -17.2 -7.1 -12.4 7.4 48 48 A E G < S+ 0 0 70 -3,-2.5 -41,-1.3 2,-0.1 2,-0.5 0.456 97.9 87.8-100.8 -5.8 -8.0 -13.8 4.1 49 49 A F E < +B 6 0A 5 -3,-1.7 -43,-0.2 -4,-0.2 2,-0.2 -0.854 56.9 179.1-100.6 125.9 -6.0 -11.3 2.2 50 50 A E E -B 5 0A 125 -45,-2.0 -45,-1.3 -2,-0.5 2,-0.6 -0.512 39.1 -77.1-113.4-177.7 -2.3 -12.1 1.5 51 51 A A E B 4 0A 54 -47,-0.2 -47,-0.3 -2,-0.2 -1,-0.0 -0.744 360.0 360.0 -87.2 122.1 0.5 -10.4 -0.3 52 52 A A 0 0 103 -49,-1.4 -1,-0.1 -2,-0.6 -48,-0.1 0.569 360.0 360.0 -46.9 360.0 0.3 -10.7 -4.1