==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER(IRON-SULFUR PROTEIN) 11-MAY-90 7RXN . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR E.T.ADMAN,L.C.SIEKER,L.H.JENSEN . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 53.8 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 . 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 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 0 147 0, 0.0 15,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 22.0 -2.0 -14.2 -2.8 2 2 A K - 0 0 130 12,-0.1 28,-0.4 13,-0.1 2,-0.2 -0.350 360.0-141.0 -62.2 119.3 -3.8 -10.8 -2.4 3 3 A K - 0 0 81 -2,-0.2 49,-2.7 49,-0.2 2,-0.4 -0.589 12.7-156.0 -87.2 148.6 -1.3 -8.3 -0.8 4 4 A Y E -AB 13 51A 38 9,-1.7 9,-3.2 47,-0.2 2,-0.4 -0.984 4.1-145.4-130.6 141.8 -2.5 -5.7 1.8 5 5 A V E -AB 12 50A 30 45,-2.7 45,-2.3 -2,-0.4 2,-0.5 -0.926 16.4-122.3-116.0 137.2 -1.0 -2.4 2.7 6 6 A C E > - B 0 49A 2 5,-3.4 4,-2.5 -2,-0.4 43,-0.3 -0.674 14.3-154.6 -70.0 125.0 -0.7 -0.6 5.9 7 7 A T T 4 S+ 0 0 81 41,-3.0 -1,-0.1 -2,-0.5 42,-0.1 0.454 91.4 54.1 -85.3 5.1 -2.4 2.8 5.7 8 8 A V T 4 S+ 0 0 88 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.870 131.4 1.7 -91.9 -55.4 -0.2 4.2 8.5 9 9 A C T 4 S- 0 0 55 2,-0.1 -2,-0.2 35,-0.0 -4,-0.0 0.613 91.3-113.9-121.4 -6.9 3.3 3.3 7.2 10 10 A G < + 0 0 47 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.497 57.0 153.7 89.3 -9.4 3.0 1.7 3.8 11 11 A Y - 0 0 51 -5,-0.1 -5,-3.4 -6,-0.1 2,-0.5 -0.516 35.8-140.9 -54.0 142.0 4.2 -1.8 4.7 12 12 A E E -A 5 0A 86 -7,-0.2 2,-0.6 -2,-0.2 -7,-0.2 -0.908 0.9-144.5-112.0 122.7 2.9 -4.4 2.4 13 13 A Y E -A 4 0A 0 -9,-3.2 -9,-1.7 -2,-0.5 17,-0.1 -0.761 19.3-166.8 -81.6 125.1 1.8 -7.8 3.8 14 14 A D >> - 0 0 38 -2,-0.6 4,-2.2 4,-0.3 3,-1.4 -0.941 15.4-154.7-118.0 110.2 2.8 -10.4 1.1 15 15 A P T 34 S+ 0 0 3 0, 0.0 12,-2.6 0, 0.0 13,-0.5 0.786 93.2 63.5 -57.1 -30.4 1.2 -13.8 1.6 16 16 A A T 34 S+ 0 0 56 -15,-0.2 13,-0.1 1,-0.2 -13,-0.0 0.868 114.6 32.7 -66.9 -20.6 4.0 -15.4 -0.5 17 17 A E T <4 S- 0 0 130 -3,-1.4 -1,-0.2 9,-0.2 7,-0.1 0.768 89.3-171.4-105.4 -25.3 6.5 -14.3 2.2 18 18 A G < - 0 0 7 -4,-2.2 -4,-0.3 10,-0.2 7,-0.2 -0.290 40.4 -83.4 64.1-152.1 4.4 -14.4 5.4 19 19 A D B > > -C 24 0B 13 5,-2.3 3,-1.7 1,-0.1 5,-1.6 -0.536 45.3-178.3-154.7 73.3 5.9 -13.0 8.5 20 20 A P G > 5S+ 0 0 90 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.772 77.2 57.0 -52.1 -44.6 8.2 -15.6 10.1 21 21 A D G 3 5S+ 0 0 139 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.571 110.2 48.1 -74.5 0.3 9.4 -13.7 13.1 22 22 A N G < 5S- 0 0 83 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.106 126.1 -99.3-113.4 19.4 5.7 -13.2 14.2 23 23 A G T < 5S+ 0 0 68 -3,-1.9 2,-0.6 1,-0.2 -2,-0.1 0.756 82.0 129.2 71.2 32.2 4.9 -16.9 13.6 24 24 A V B < -C 19 0B 4 -5,-1.6 -5,-2.3 -7,-0.1 -1,-0.2 -0.934 46.8-148.2-119.0 104.8 3.3 -16.6 10.2 25 25 A K > - 0 0 153 -2,-0.6 3,-1.4 -7,-0.2 -7,-0.1 -0.347 33.8 -81.1 -73.2 162.3 4.7 -19.0 7.6 26 26 A P T 3 S+ 0 0 83 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.160 114.9 37.1 -59.7 139.8 5.0 -18.3 4.0 27 27 A G T 3 S+ 0 0 45 -12,-2.6 2,-0.6 1,-0.3 -11,-0.2 0.475 78.7 136.0 101.0 -3.5 1.8 -18.8 2.1 28 28 A T < - 0 0 25 -3,-1.4 -1,-0.3 -13,-0.5 -10,-0.2 -0.683 51.5-128.5 -80.8 125.7 -0.5 -17.6 4.8 29 29 A S > - 0 0 43 -2,-0.6 3,-1.4 1,-0.1 -26,-0.1 -0.278 19.3-115.9 -65.8 152.6 -3.3 -15.2 3.6 30 30 A F G > S+ 0 0 21 -28,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.886 116.3 59.1 -59.4 -34.1 -3.9 -11.9 5.2 31 31 A D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.583 103.1 54.2 -71.4 -24.5 -7.3 -13.1 6.4 32 32 A D G < S+ 0 0 120 -3,-1.4 -1,-0.3 2,-0.0 -2,-0.2 0.184 78.0 124.5 -92.1 15.5 -5.7 -15.9 8.3 33 33 A L S < S- 0 0 13 -3,-1.9 -9,-0.0 1,-0.1 -3,-0.0 -0.469 76.1 -88.4 -67.4 150.5 -3.2 -13.8 10.3 34 34 A P > - 0 0 54 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.155 36.7-114.4 -56.1 146.3 -3.5 -14.3 14.1 35 35 A A T 3 S+ 0 0 100 1,-0.3 11,-0.2 -3,-0.1 -2,-0.1 0.826 115.6 48.4 -56.6 -32.6 -6.0 -12.0 15.8 36 36 A D T 3 S+ 0 0 138 9,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.294 82.3 123.5 -90.9 3.6 -3.3 -10.2 17.7 37 37 A W < - 0 0 8 -3,-2.3 9,-0.5 8,-0.0 2,-0.3 -0.554 37.6-175.7 -67.4 144.9 -0.9 -9.6 14.7 38 38 A V B -D 45 0C 67 -2,-0.2 6,-0.1 7,-0.1 -2,-0.0 -0.851 42.3 -71.0-134.2 162.3 0.0 -6.0 14.0 39 39 A C > - 0 0 1 5,-2.9 4,-2.3 -2,-0.3 3,-0.2 -0.270 42.6-144.9 -53.1 128.0 2.0 -4.2 11.3 40 40 A P T 4 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.754 93.9 47.2 -78.0 -12.8 5.6 -5.3 11.9 41 41 A V T 4 S+ 0 0 104 3,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.782 132.2 8.0 -92.5 -40.6 7.1 -1.9 10.9 42 42 A C T 4 S- 0 0 53 -3,-0.2 -3,-0.1 2,-0.1 -1,-0.0 0.589 89.9-114.9-120.9 -10.8 4.8 0.5 12.7 43 43 A G < + 0 0 48 -4,-2.3 0, 0.0 1,-0.2 0, 0.0 0.388 59.8 150.1 94.1 -3.7 2.5 -1.3 15.2 44 44 A A - 0 0 9 -6,-0.1 -5,-2.9 1,-0.1 -1,-0.2 -0.212 47.6-105.3 -70.2 153.7 -0.8 -0.5 13.4 45 45 A P B > -D 38 0C 55 0, 0.0 3,-2.3 0, 0.0 -7,-0.1 -0.320 22.9-113.6 -73.5 161.3 -3.8 -2.8 13.6 46 46 A K G > S+ 0 0 51 -9,-0.5 3,-1.9 1,-0.3 -8,-0.1 0.843 111.7 72.1 -66.6 -25.2 -5.0 -5.0 10.8 47 47 A S G 3 S+ 0 0 105 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.706 93.4 57.4 -66.2 -11.3 -8.2 -2.9 10.6 48 48 A E G < S+ 0 0 91 -3,-2.3 -41,-3.0 2,-0.0 2,-0.3 0.033 86.3 96.0-108.5 20.1 -6.0 -0.1 9.0 49 49 A F E < -B 6 0A 19 -3,-1.9 2,-0.3 -43,-0.3 -43,-0.2 -0.817 56.2-162.0 -98.6 151.7 -4.8 -2.2 6.1 50 50 A E E -B 5 0A 115 -45,-2.3 -45,-2.7 -2,-0.3 -2,-0.0 -0.964 32.5 -87.1-129.9 154.7 -6.4 -2.1 2.7 51 51 A A E B 4 0A 58 -2,-0.3 -47,-0.2 -47,-0.2 -49,-0.0 -0.332 360.0 360.0 -64.0 136.3 -6.3 -4.4 -0.3 52 52 A A 0 0 77 -49,-2.7 -49,-0.2 -3,-0.0 -1,-0.1 -0.290 360.0 360.0-124.4 360.0 -3.3 -3.6 -2.6