==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER 30-SEP-98 1RDV . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS STR. 'MIYAZAKI . AUTHOR Y.HIGUCHI,N.YASUOKA . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 48.1 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 . 11 21.2 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 . 3 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 13.5 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 . 2 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 0 129 0, 0.0 15,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 155.1 6.9 16.6 13.8 2 2 A K - 0 0 113 12,-0.1 28,-0.4 13,-0.1 2,-0.2 -0.230 360.0-141.0 -56.4 131.5 9.2 13.6 12.9 3 3 A K - 0 0 74 49,-0.3 49,-2.8 11,-0.1 2,-0.4 -0.621 6.8-145.6 -97.2 150.0 12.1 12.9 15.2 4 4 A Y E -AB 13 51A 60 9,-1.3 9,-2.3 47,-0.3 2,-0.4 -0.922 8.5-139.7-117.4 141.0 15.5 11.8 14.2 5 5 A V E -AB 12 50A 42 45,-2.7 45,-1.5 -2,-0.4 2,-0.8 -0.846 19.9-121.7-102.2 135.9 17.8 9.5 16.1 6 6 A C E > - B 0 49A 1 5,-3.0 4,-3.6 -2,-0.4 43,-0.2 -0.675 18.9-153.0 -79.3 108.6 21.5 10.1 16.4 7 7 A T T 4 S+ 0 0 88 41,-1.7 -1,-0.2 -2,-0.8 42,-0.1 0.759 89.4 50.1 -49.0 -37.3 23.1 7.0 14.9 8 8 A V T 4 S+ 0 0 94 40,-0.4 -1,-0.2 1,-0.1 41,-0.1 0.950 132.7 4.5 -73.1 -49.2 26.3 7.4 17.1 9 9 A C T 4 S- 0 0 50 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.448 91.8-116.5-119.7 -8.3 24.8 7.8 20.6 10 10 A G < + 0 0 47 -4,-3.6 -3,-0.1 1,-0.3 2,-0.1 0.458 56.9 153.7 87.1 -0.8 21.0 7.4 20.2 11 11 A Y - 0 0 58 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.6 -0.419 38.5-138.3 -59.3 138.4 20.2 10.9 21.3 12 12 A E E -A 5 0A 98 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.867 2.4-141.6-109.9 114.0 16.8 11.7 19.7 13 13 A Y E -A 4 0A 0 -9,-2.3 -9,-1.3 -2,-0.6 6,-0.1 -0.528 20.0-157.0 -68.6 128.1 16.3 15.2 18.2 14 14 A D >> - 0 0 44 4,-0.5 4,-3.6 -2,-0.3 3,-1.9 -0.914 15.7-158.6-114.3 115.8 12.7 16.2 18.9 15 15 A P T 34 S+ 0 0 0 0, 0.0 12,-2.0 0, 0.0 13,-0.5 0.937 92.8 64.9 -54.6 -42.6 11.0 18.8 16.7 16 16 A A T 34 S+ 0 0 69 -15,-0.3 13,-0.1 1,-0.2 -14,-0.0 0.436 122.5 17.0 -61.2 -0.6 8.6 19.6 19.6 17 17 A E T <4 S- 0 0 116 -3,-1.9 2,-0.3 11,-0.2 -1,-0.2 0.491 86.1-172.1-137.1 -43.2 11.5 20.9 21.7 18 18 A G < - 0 0 3 -4,-3.6 -4,-0.5 1,-0.2 7,-0.2 -0.584 51.0 -65.4 78.0-137.2 14.4 21.5 19.3 19 19 A D B > > -C 24 0B 11 5,-2.3 3,-1.8 -2,-0.3 5,-1.1 -0.452 55.2-178.4-151.4 66.9 17.7 22.4 21.0 20 20 A P G > 5S+ 0 0 85 0, 0.0 3,-1.4 0, 0.0 2,-0.5 0.826 75.6 52.8 -35.8 -63.0 17.1 25.8 22.7 21 21 A D G 3 5S+ 0 0 135 1,-0.3 4,-0.1 2,-0.1 0, 0.0 0.199 109.3 51.8 -73.1 23.6 20.6 26.5 24.2 22 22 A N G < 5S- 0 0 92 -3,-1.8 -1,-0.3 -2,-0.5 2,-0.2 -0.200 124.8 -93.9-144.5 33.0 22.2 25.9 20.8 23 23 A G T < 5S+ 0 0 66 -3,-1.4 2,-1.5 1,-0.1 -2,-0.1 0.137 89.0 120.8 77.5 -20.4 20.1 28.3 18.7 24 24 A V B < -C 19 0B 3 -5,-1.1 -5,-2.3 -2,-0.2 -1,-0.1 -0.612 51.8-155.3 -81.6 90.8 17.5 25.8 17.5 25 25 A K > - 0 0 166 -2,-1.5 3,-0.7 -7,-0.2 -8,-0.1 -0.187 31.9 -81.8 -60.5 158.2 14.2 27.2 18.8 26 26 A P T 3 S+ 0 0 80 0, 0.0 -10,-0.2 0, 0.0 -8,-0.1 -0.019 106.1 38.5 -60.8 164.4 11.4 24.7 19.3 27 27 A G T 3 S+ 0 0 36 -12,-2.0 -11,-0.2 1,-0.2 2,-0.1 0.347 80.7 142.3 78.1 -6.6 8.9 23.3 16.7 28 28 A T < - 0 0 35 -3,-0.7 -1,-0.2 -13,-0.5 -11,-0.2 -0.403 46.0-134.2 -70.5 137.5 11.7 23.2 14.1 29 29 A A - 0 0 33 -2,-0.1 4,-0.4 -3,-0.1 -26,-0.1 -0.496 25.1-107.4 -84.7 166.7 11.8 20.3 11.7 30 30 A F S S+ 0 0 17 -28,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.726 119.4 51.2 -71.2 -25.1 15.1 18.4 10.9 31 31 A E S S+ 0 0 179 1,-0.2 -1,-0.2 3,-0.0 4,-0.1 0.862 110.6 56.8 -74.2 -32.1 15.6 19.7 7.4 32 32 A D S S+ 0 0 111 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.490 80.6 106.2 -77.8 -9.2 15.1 23.1 9.1 33 33 A V S S- 0 0 4 -4,-0.4 13,-0.0 -3,-0.3 -9,-0.0 -0.523 89.2 -85.3 -75.8 136.4 17.9 22.8 11.7 34 34 A P > - 0 0 58 0, 0.0 3,-3.2 0, 0.0 -1,-0.1 -0.151 36.2-129.5 -42.2 117.8 21.1 24.9 11.2 35 35 A A T 3 S+ 0 0 93 1,-0.3 11,-0.4 -4,-0.1 -2,-0.1 0.688 107.4 57.0 -42.4 -30.1 23.4 22.9 8.8 36 36 A D T 3 S+ 0 0 137 9,-0.1 -1,-0.3 10,-0.1 -3,-0.0 0.615 81.1 121.6 -80.6 -14.6 26.3 23.4 11.3 37 37 A W < - 0 0 14 -3,-3.2 9,-0.6 8,-0.1 2,-0.3 -0.107 42.9-167.5 -50.7 141.5 24.4 21.8 14.2 38 38 A V B -D 45 0C 68 7,-0.2 6,-0.2 8,-0.1 5,-0.1 -0.886 37.7 -80.2-128.0 164.1 25.9 18.8 15.8 39 39 A C > - 0 0 2 5,-3.3 4,-2.3 -2,-0.3 3,-0.3 -0.471 39.3-139.6 -66.2 129.7 24.5 16.3 18.2 40 40 A P T 4 S+ 0 0 49 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.758 95.9 41.7 -65.8 -22.1 24.6 17.9 21.7 41 41 A I T 4 S+ 0 0 109 1,-0.1 -2,-0.1 3,-0.1 0, 0.0 0.708 133.6 10.8-104.2 -12.4 25.6 14.8 23.5 42 42 A C T 4 S- 0 0 52 -3,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.299 90.5-119.3-143.6 5.8 28.3 13.4 21.2 43 43 A G < + 0 0 40 -4,-2.3 0, 0.0 1,-0.2 0, 0.0 0.146 57.0 147.2 78.3 -23.6 29.1 15.9 18.5 44 44 A A - 0 0 12 -2,-0.2 -5,-3.3 -6,-0.2 -1,-0.2 0.016 46.8-116.0 -43.9 150.4 28.1 13.9 15.4 45 45 A P B > -D 38 0C 57 0, 0.0 3,-1.0 0, 0.0 -7,-0.2 -0.203 29.1 -93.0 -84.5-176.1 26.8 16.1 12.6 46 46 A K G > S+ 0 0 45 -9,-0.6 3,-1.5 -11,-0.4 -8,-0.1 0.807 120.1 68.1 -64.1 -31.0 23.3 16.1 11.0 47 47 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.744 92.8 60.0 -61.8 -25.5 24.5 13.6 8.3 48 48 A E G < S+ 0 0 84 -3,-1.0 -41,-1.7 2,-0.0 -40,-0.4 0.164 87.8 90.5 -90.5 15.2 24.8 10.9 11.0 49 49 A F E < -B 6 0A 14 -3,-1.5 -43,-0.2 -43,-0.2 -37,-0.1 -0.626 56.5-161.1-101.5 171.8 21.1 10.9 12.1 50 50 A E E -B 5 0A 121 -45,-1.5 -45,-2.7 -2,-0.2 2,-0.1 -0.976 35.8 -87.2-148.3 152.3 18.3 8.8 10.7 51 51 A P E B 4 0A 60 0, 0.0 -47,-0.3 0, 0.0 -49,-0.0 -0.437 360.0 360.0 -62.5 135.3 14.5 9.1 10.8 52 52 A A 0 0 74 -49,-2.8 -49,-0.3 -2,-0.1 -46,-0.0 -0.741 360.0 360.0 -82.8 360.0 13.3 7.5 14.0