==== 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) 16-JAN-90 6RXN . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS; . AUTHOR R.E.STENKAMP,L.C.SIEKER,L.H.JENSEN . 45 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 23 51.1 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 . 9 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 4.4 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.2 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 . 1 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 0 124 0, 0.0 15,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 150.0 0.8 4.5 6.8 2 2 A Q - 0 0 99 12,-0.1 21,-0.4 1,-0.1 2,-0.2 -0.151 360.0-154.2 -61.3 122.0 4.0 5.4 8.8 3 3 A K - 0 0 83 11,-0.1 42,-2.8 19,-0.1 2,-0.4 -0.601 6.5-155.9 -91.9 151.0 4.5 9.1 9.2 4 4 A Y E -AB 13 44A 62 9,-2.1 9,-3.3 40,-0.3 2,-0.4 -0.994 0.7-151.8-129.6 145.2 8.1 10.5 9.8 5 5 A V E -AB 12 43A 37 38,-2.9 38,-2.5 -2,-0.4 2,-0.4 -0.934 23.7-114.7-119.0 141.9 9.2 13.8 11.4 6 6 A C E > - B 0 42A 3 5,-2.7 4,-2.0 -2,-0.4 36,-0.2 -0.559 18.5-147.7 -68.6 123.1 12.3 15.8 10.7 7 7 A N T 4 S+ 0 0 93 34,-3.1 -1,-0.1 -2,-0.4 35,-0.1 0.670 94.4 44.8 -62.4 -30.6 14.5 15.8 13.8 8 8 A V T 4 S+ 0 0 87 33,-0.4 -1,-0.2 3,-0.1 34,-0.1 0.844 129.8 11.5 -87.1 -46.2 15.7 19.3 13.1 9 9 A C T 4 S- 0 0 51 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.510 90.8-116.6-118.8 -1.3 12.7 21.3 12.2 10 10 A G < + 0 0 50 -4,-2.0 2,-0.2 1,-0.3 -3,-0.1 0.422 55.8 155.4 81.8 0.5 9.6 19.3 13.1 11 11 A Y - 0 0 52 -6,-0.1 -5,-2.7 1,-0.1 2,-0.5 -0.463 32.8-145.8 -58.2 137.9 8.2 18.9 9.5 12 12 A E E -A 5 0A 83 -7,-0.2 2,-0.7 -2,-0.2 -7,-0.2 -0.859 6.4-151.9-116.8 123.2 6.0 15.8 9.3 13 13 A Y E -A 4 0A 6 -9,-3.3 -9,-2.1 -2,-0.5 10,-0.1 -0.902 16.9-177.6 -88.7 109.6 5.9 13.7 6.2 14 14 A D > - 0 0 33 -2,-0.7 3,-1.7 -11,-0.2 4,-0.3 -0.991 20.9-151.4-109.8 112.3 2.4 12.0 6.1 15 15 A P G > >S+ 0 0 1 0, 0.0 3,-2.1 0, 0.0 5,-2.0 0.830 94.6 65.7 -49.1 -35.8 2.0 9.6 3.1 16 16 A A G > 5S+ 0 0 67 1,-0.3 3,-0.5 -15,-0.2 -13,-0.0 0.750 99.1 51.6 -61.0 -26.1 -1.7 10.3 3.1 17 17 A E G < 5S+ 0 0 139 -3,-1.7 -1,-0.3 1,-0.2 -4,-0.0 0.454 109.0 52.2 -88.8 -0.7 -1.1 13.9 2.2 18 18 A H G X 5S- 0 0 63 -3,-2.1 3,-1.9 -4,-0.3 -1,-0.2 -0.344 128.5 -83.1-132.2 47.1 1.1 12.9 -0.8 19 26 A D T < 5S- 0 0 160 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.799 84.3 -63.9 59.5 30.9 -1.1 10.4 -2.7 20 27 A N T 3 - 0 0 38 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.271 14.9-114.6 -66.8 155.7 5.4 6.1 1.4 23 30 A F G > S+ 0 0 14 -21,-0.4 3,-1.4 1,-0.3 -20,-0.0 0.826 114.5 63.3 -57.0 -36.7 8.6 7.7 2.9 24 31 A D G 3 S+ 0 0 133 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.505 96.6 57.6 -72.9 -5.1 10.6 4.6 1.7 25 32 A Q G < S+ 0 0 135 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.410 80.0 109.5 -95.3 -11.0 9.8 5.5 -2.0 26 33 A L S < S- 0 0 21 -3,-1.4 13,-0.0 -4,-0.3 -3,-0.0 -0.522 77.6-101.3 -68.8 146.9 11.3 9.0 -1.8 27 34 A P > - 0 0 69 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.131 23.0-112.0 -67.3 162.1 14.6 9.4 -3.8 28 35 A D T 3 S+ 0 0 163 1,-0.3 11,-0.2 10,-0.1 -2,-0.1 0.798 119.8 53.0 -61.1 -27.9 18.1 9.4 -2.3 29 36 A D T 3 S+ 0 0 135 9,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.328 82.3 116.5 -92.0 2.5 18.3 13.1 -3.2 30 37 A W < - 0 0 46 -3,-1.8 9,-0.5 3,-0.0 2,-0.3 -0.471 44.3-174.9 -63.5 140.6 15.0 14.1 -1.5 31 38 A C B -C 38 0B 52 7,-0.2 7,-0.2 -2,-0.1 6,-0.1 -0.949 37.8 -75.8-138.1 162.0 15.4 16.5 1.4 32 39 A C > - 0 0 5 5,-3.0 4,-2.4 -2,-0.3 6,-0.0 -0.321 38.9-140.2 -49.3 135.2 13.2 18.1 4.1 33 40 A P T 4 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.658 97.1 41.6 -79.9 -10.9 11.2 20.8 2.3 34 41 A V T 4 S+ 0 0 104 3,-0.1 -2,-0.0 -23,-0.0 -3,-0.0 0.876 133.6 10.5 -98.8 -44.5 11.6 23.1 5.3 35 42 A C T 4 S- 0 0 51 2,-0.1 -3,-0.1 -24,-0.0 0, 0.0 0.415 90.5-123.0-118.7 -11.1 15.2 22.7 6.5 36 43 A G < + 0 0 43 -4,-2.4 0, 0.0 1,-0.2 0, 0.0 0.367 57.1 142.1 86.9 -0.1 17.0 20.7 3.7 37 44 A V - 0 0 25 -6,-0.1 -5,-3.0 1,-0.1 -1,-0.2 -0.267 51.2-106.7 -74.3 160.5 18.3 17.7 5.8 38 45 A S B > -C 31 0B 59 -7,-0.2 3,-2.3 1,-0.1 -7,-0.2 -0.304 35.1 -93.0 -79.3 171.2 18.3 14.2 4.2 39 46 A K G > S+ 0 0 49 -9,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.758 116.7 73.1 -59.6 -23.4 16.1 11.3 5.1 40 47 A D G 3 S+ 0 0 134 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.581 89.9 60.7 -70.2 -6.6 18.5 10.0 7.7 41 48 A Q G < S+ 0 0 80 -3,-2.3 -34,-3.1 2,-0.0 -33,-0.4 0.027 88.6 95.0-106.4 26.1 17.6 12.8 10.0 42 49 A F E < -B 6 0A 18 -3,-1.6 -36,-0.2 -36,-0.2 -30,-0.1 -0.838 57.6-156.7-111.2 154.7 13.9 11.8 10.2 43 50 A S E -B 5 0A 42 -38,-2.5 -38,-2.9 -2,-0.3 2,-0.1 -0.965 29.5-100.4-127.3 147.6 12.3 9.6 12.9 44 51 A P E B 4 0A 88 0, 0.0 -40,-0.3 0, 0.0 -42,-0.0 -0.429 360.0 360.0 -61.0 142.1 9.1 7.4 12.7 45 52 A A 0 0 72 -42,-2.8 -41,-0.2 -2,-0.1 -43,-0.0 0.376 360.0 360.0-154.9 360.0 6.3 9.4 14.4