==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 21-SEP-00 1E8J . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR P.LAMOSA,L.BRENNAN,H.VIS,D.L.TURNER,H.SANTOS . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 30.8 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 . 3 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 4 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.9 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 198 0, 0.0 50,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -59.1 -6.2 11.5 -3.2 2 2 A D + 0 0 53 27,-0.0 2,-0.3 28,-0.0 28,-0.1 0.116 360.0 143.4 173.4 45.7 -5.2 7.9 -3.3 3 3 A I - 0 0 50 11,-0.1 49,-0.9 10,-0.1 2,-0.4 -0.744 26.3-166.5-101.7 148.0 -3.9 6.9 0.1 4 4 A Y E -A 51 0A 50 -2,-0.3 9,-4.4 47,-0.2 10,-0.4 -0.990 4.6-175.5-137.2 126.3 -4.4 3.5 1.8 5 5 A V E -A 50 0A 37 45,-0.9 45,-1.6 -2,-0.4 2,-0.3 -0.923 28.4-113.5-123.4 148.3 -3.8 2.6 5.4 6 6 A C - 0 0 3 -2,-0.3 43,-0.2 5,-0.3 6,-0.1 -0.576 12.7-157.3 -79.5 139.8 -4.0 -0.7 7.2 7 7 A T S S+ 0 0 75 41,-0.5 -1,-0.1 -2,-0.3 42,-0.1 0.440 90.0 63.0 -94.0 -3.1 -6.7 -1.0 9.8 8 8 A V S S- 0 0 91 3,-0.1 -1,-0.1 36,-0.0 41,-0.0 0.882 133.1 -10.8 -85.8 -45.4 -4.8 -3.8 11.5 9 9 A C S S- 0 0 66 2,-0.0 -2,-0.1 35,-0.0 -4,-0.0 0.690 93.5-110.9-117.3 -63.6 -1.8 -1.7 12.5 10 10 A G + 0 0 52 1,-0.1 2,-0.6 0, 0.0 -3,-0.1 0.630 51.6 154.8 122.9 61.3 -2.0 1.6 10.7 11 11 A Y - 0 0 62 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.865 38.5-137.9-118.3 95.7 0.7 1.9 8.1 12 12 A E - 0 0 94 -2,-0.6 -7,-0.3 -7,-0.2 -9,-0.0 -0.313 6.8-151.6 -55.6 117.8 -0.3 4.3 5.3 13 13 A Y - 0 0 0 -9,-4.4 4,-0.2 -2,-0.2 5,-0.2 0.915 21.0-167.8 -57.9 -45.9 0.8 2.7 2.1 14 14 A D >> - 0 0 27 -10,-0.4 4,-2.5 3,-0.2 3,-2.2 0.919 23.8-134.3 50.2 99.9 1.3 6.1 0.5 15 15 A P T 34 S+ 0 0 27 0, 0.0 12,-1.9 0, 0.0 13,-1.2 0.793 110.2 53.9 -50.4 -33.1 1.7 5.4 -3.3 16 16 A A T 34 S+ 0 0 84 11,-0.2 -2,-0.1 10,-0.2 3,-0.1 0.702 110.7 46.4 -76.0 -21.0 4.6 7.8 -3.1 17 17 A K T <4 S+ 0 0 142 -3,-2.2 -1,-0.2 -4,-0.2 -3,-0.2 0.779 83.2 156.7 -88.0 -32.1 6.1 5.7 -0.3 18 18 A G < - 0 0 0 -4,-2.5 -1,-0.1 -5,-0.2 -2,-0.1 -0.070 53.5 -61.6 42.6-135.5 5.5 2.5 -2.2 19 19 A D > - 0 0 6 -4,-0.1 5,-1.1 1,-0.1 4,-0.2 -0.984 33.0-170.1-149.9 134.1 7.8 -0.2 -0.9 20 20 A P T 5S+ 0 0 112 0, 0.0 2,-1.0 0, 0.0 3,-0.5 0.872 86.1 53.7 -87.3 -45.7 11.6 -0.6 -0.9 21 21 A D T 5S+ 0 0 143 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.799 107.6 41.7 -98.0 95.4 11.7 -4.2 0.1 22 22 A S T 5S- 0 0 87 -2,-1.0 -1,-0.2 -3,-0.2 0, 0.0 0.067 119.0 -85.1 159.9 -26.9 9.6 -6.1 -2.3 23 23 A G T 5S+ 0 0 66 -3,-0.5 2,-0.4 1,-0.2 -2,-0.1 0.876 74.6 144.9 97.5 59.2 10.4 -4.5 -5.7 24 24 A I < - 0 0 27 -5,-1.1 -1,-0.2 -4,-0.2 -5,-0.1 -0.983 40.7-132.9-130.2 140.3 8.2 -1.5 -5.9 25 25 A K - 0 0 161 -2,-0.4 2,-0.6 1,-0.1 3,-0.1 -0.623 37.8 -92.0 -92.2 150.3 8.9 1.9 -7.5 26 26 A P S S+ 0 0 111 0, 0.0 -10,-0.2 0, 0.0 -9,-0.1 -0.474 112.7 26.7 -61.7 105.2 8.2 5.2 -5.8 27 27 A G S S+ 0 0 55 -12,-1.9 2,-0.4 -2,-0.6 -11,-0.2 0.844 79.3 160.2 102.2 65.1 4.7 6.1 -7.1 28 28 A T - 0 0 34 -13,-1.2 -1,-0.2 -3,-0.1 -10,-0.1 -0.958 44.0-106.7-121.6 137.2 2.9 2.9 -7.9 29 29 A K > - 0 0 104 -2,-0.4 3,-0.6 1,-0.2 4,-0.4 -0.299 21.4-132.4 -59.1 139.5 -0.8 2.4 -8.2 30 30 A F T 3 S+ 0 0 19 1,-0.2 -1,-0.2 2,-0.2 -27,-0.0 0.516 109.8 52.1 -71.3 -4.6 -2.3 0.5 -5.3 31 31 A E T 3 S+ 0 0 136 1,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.643 101.9 56.1-102.1 -23.1 -4.1 -1.6 -8.0 32 32 A D S < S+ 0 0 96 -3,-0.6 -2,-0.2 3,-0.0 -1,-0.1 0.452 82.8 125.2 -86.8 -2.6 -1.0 -2.4 -10.0 33 33 A L S S- 0 0 3 -4,-0.4 -3,-0.0 1,-0.1 -9,-0.0 -0.213 75.4 -83.0 -58.5 147.0 0.5 -3.9 -6.8 34 34 A P > - 0 0 57 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.121 34.4-117.5 -42.3 165.5 1.7 -7.5 -7.0 35 35 A D T 3 S+ 0 0 175 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.084 114.0 46.1 -98.5 20.5 -0.8 -10.3 -6.6 36 36 A D T 3 S+ 0 0 157 2,-0.0 2,-0.2 9,-0.0 -1,-0.2 0.094 81.6 126.6-144.9 18.2 1.0 -11.5 -3.5 37 37 A W < + 0 0 18 -3,-0.5 9,-0.4 9,-0.0 2,-0.3 -0.575 31.3 172.2 -83.0 145.8 1.6 -8.2 -1.7 38 38 A A - 0 0 37 -2,-0.2 7,-0.2 7,-0.1 6,-0.2 -0.986 50.8 -63.9-152.8 153.4 0.4 -7.9 1.9 39 39 A C - 0 0 2 5,-2.8 4,-0.1 4,-0.3 7,-0.0 -0.128 45.5-162.7 -42.2 100.3 0.7 -5.4 4.7 40 40 A P S S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.498 83.9 61.5 -67.9 -4.9 4.4 -5.6 5.2 41 41 A V S S- 0 0 76 3,-0.1 -2,-0.1 -30,-0.1 0, 0.0 0.947 133.4 -11.0 -85.5 -67.0 3.8 -4.1 8.6 42 42 A C S S- 0 0 67 2,-0.1 -3,-0.0 -31,-0.1 -4,-0.0 0.806 95.4-111.4-100.2 -45.5 1.7 -6.6 10.3 43 43 A G + 0 0 36 1,-0.3 -4,-0.3 2,-0.1 3,-0.0 -0.071 56.9 156.2 137.7 -32.6 0.8 -8.9 7.4 44 44 A A - 0 0 24 -6,-0.2 -5,-2.8 2,-0.1 -1,-0.3 0.158 49.2-107.5 -24.7 133.0 -2.9 -8.2 7.0 45 45 A S > - 0 0 83 -7,-0.2 3,-1.0 1,-0.1 4,-0.3 0.164 38.2 -87.0 -57.8-175.4 -3.8 -9.0 3.4 46 46 A K T 3 S+ 0 0 72 -9,-0.4 -1,-0.1 1,-0.2 -8,-0.1 -0.159 120.1 72.4 -90.5 38.7 -4.6 -6.3 0.8 47 47 A D T 3 S+ 0 0 159 -2,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.185 82.7 65.5-133.3 9.6 -8.2 -6.4 1.9 48 48 A A S < S+ 0 0 23 -3,-1.0 -41,-0.5 -4,-0.1 -2,-0.1 0.629 80.8 94.9-104.6 -23.1 -7.7 -4.6 5.3 49 49 A F - 0 0 22 -4,-0.3 2,-0.4 -43,-0.2 -43,-0.2 -0.345 56.2-164.4 -70.5 151.4 -6.6 -1.3 3.9 50 50 A E E -A 5 0A 103 -45,-1.6 -45,-0.9 -2,-0.1 2,-0.1 -0.971 35.2 -99.5-143.9 124.1 -9.2 1.4 3.3 51 51 A K E A 4 0A 131 -2,-0.4 -47,-0.2 1,-0.2 -2,-0.0 -0.158 360.0 360.0 -42.6 100.7 -8.8 4.6 1.2 52 52 A Q 0 0 181 -49,-0.9 -1,-0.2 -2,-0.1 -48,-0.1 0.944 360.0 360.0 45.2 360.0 -8.0 7.0 4.0