==== 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 TRANSPORT 16-DEC-03 1RWD . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR F.TIAN,H.VALAFAR,J.H.PRESTEGARD,SOUTHEAST COLLABORATORY FOR . 50 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 42.0 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 . 4 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 6.0 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 . 6 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 124 0, 0.0 2,-0.6 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0 -54.2 -3.1 -5.9 -8.9 2 2 A K - 0 0 79 11,-0.1 2,-0.5 12,-0.1 11,-0.1 -0.914 360.0-163.9-113.1 125.7 -0.9 -2.7 -8.3 3 3 A Y - 0 0 3 -2,-0.6 9,-3.3 9,-0.2 2,-0.4 -0.869 8.2-152.1-103.6 129.5 -2.4 0.4 -6.8 4 4 A V B -A 11 0A 67 -2,-0.5 2,-0.5 45,-0.3 7,-0.2 -0.800 22.9-116.4 -98.9 140.0 -0.4 3.6 -7.2 5 5 A C - 0 0 11 5,-3.4 4,-0.4 4,-0.5 43,-0.1 -0.618 19.7-155.7 -78.2 118.1 -0.9 6.3 -4.5 6 6 A K S S+ 0 0 99 -2,-0.5 -1,-0.1 41,-0.4 42,-0.1 0.558 85.6 49.3 -75.0 -7.9 -2.4 9.3 -6.3 7 7 A I S S+ 0 0 89 40,-0.1 -1,-0.1 37,-0.1 -2,-0.0 0.886 131.1 7.9 -98.2 -66.3 -1.0 11.8 -3.7 8 8 A C S S- 0 0 69 2,-0.1 -2,-0.1 1,-0.0 34,-0.0 0.636 98.5-125.5 -95.8 -4.5 2.7 11.1 -3.1 9 9 A G + 0 0 44 -4,-0.4 -4,-0.5 1,-0.2 -3,-0.1 0.062 50.2 159.1 96.0 -33.0 2.7 8.6 -6.0 10 10 A Y - 0 0 23 -6,-0.2 -5,-3.4 1,-0.1 2,-0.6 0.214 44.6-119.5 -25.7 144.1 4.2 5.5 -4.1 11 11 A I B -A 4 0A 81 -7,-0.2 2,-1.0 1,-0.1 -7,-0.2 -0.795 15.9-143.3 -95.7 117.5 3.5 2.1 -5.7 12 12 A Y - 0 0 45 -9,-3.3 -9,-0.2 -2,-0.6 5,-0.1 -0.005 22.8-175.3 -75.8 34.1 1.5 0.1 -3.2 13 13 A D > - 0 0 44 -2,-1.0 4,-2.7 1,-0.2 -11,-0.1 -0.019 3.5-176.3 -35.0 97.9 3.3 -3.2 -4.2 14 14 A E T 4 S+ 0 0 16 -13,-0.4 13,-0.5 2,-0.2 -1,-0.2 0.748 80.2 54.6 -76.6 -21.8 1.1 -5.5 -2.0 15 15 A D T 4 S+ 0 0 80 10,-0.2 11,-1.1 11,-0.2 12,-0.2 0.941 118.2 34.8 -80.3 -37.3 3.3 -8.6 -3.0 16 16 A A T 4 S- 0 0 78 9,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.908 106.9-173.0 -74.8 -37.0 6.4 -6.7 -1.8 17 17 A G < - 0 0 22 -4,-2.7 7,-0.2 1,-0.1 -1,-0.1 -0.377 30.2 -95.5 79.0-161.0 4.1 -5.2 0.9 18 18 A D B > > +B 23 0B 12 5,-2.0 5,-2.4 -4,-0.1 3,-1.2 -0.510 38.4 175.0-158.0 71.8 5.2 -2.4 3.3 19 19 A P G > 5S+ 0 0 79 0, 0.0 3,-4.3 0, 0.0 5,-0.1 0.903 70.3 78.0 -54.7 -46.3 6.3 -4.0 6.6 20 20 A D G 3 5S+ 0 0 91 1,-0.3 18,-0.1 2,-0.2 -2,-0.0 0.828 108.9 30.9 -32.7 -41.3 7.4 -0.5 8.0 21 21 A N G < 5S- 0 0 44 -3,-1.2 -1,-0.3 16,-0.5 16,-0.2 -0.059 129.5 -92.6-116.4 42.2 3.6 0.1 8.7 22 22 A G T < 5S+ 0 0 71 -3,-4.3 2,-0.5 1,-0.2 -2,-0.2 0.798 81.3 138.6 62.0 33.0 2.7 -3.6 9.2 23 23 A V B < -B 18 0B 15 -5,-2.4 -5,-2.0 14,-0.2 -1,-0.2 -0.923 40.4-152.0-111.7 116.9 1.7 -4.4 5.6 24 24 A S > - 0 0 61 -2,-0.5 3,-0.5 -7,-0.2 2,-0.0 -0.434 15.3 -95.4 -90.5 176.6 3.1 -7.8 4.7 25 25 A P T 3 S+ 0 0 72 0, 0.0 -9,-0.2 0, 0.0 -10,-0.2 -0.314 108.4 26.2 -75.0 166.1 4.3 -9.7 1.6 26 26 A G T 3 S+ 0 0 73 -11,-1.1 2,-0.2 1,-0.2 -11,-0.2 0.274 93.7 125.9 64.1 -18.3 1.8 -12.0 -0.1 27 27 A T < - 0 0 34 -3,-0.5 -1,-0.2 -13,-0.5 -10,-0.1 -0.496 58.4-130.6 -74.4 136.5 -1.0 -9.7 1.3 28 28 A K >> - 0 0 54 -2,-0.2 4,-1.6 1,-0.1 3,-0.9 -0.414 15.1-117.4 -85.0 163.5 -3.3 -8.3 -1.4 29 29 A F G >4 S+ 0 0 39 2,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.984 119.7 48.6 -67.3 -51.9 -4.3 -4.7 -1.7 30 30 A E G 34 S+ 0 0 113 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.440 117.9 47.2 -68.6 12.3 -8.0 -5.4 -1.0 31 31 A E G <4 S+ 0 0 66 -3,-0.9 -2,-0.3 2,-0.1 -1,-0.3 0.507 82.1 108.3-124.0 -16.7 -6.5 -7.4 1.9 32 32 A I S << S- 0 0 46 -4,-1.6 -9,-0.1 -3,-1.1 -18,-0.0 -0.427 82.0-108.6 -64.0 125.1 -4.1 -4.7 3.1 33 33 A P > - 0 0 70 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.032 25.1-105.8 -61.5 165.5 -5.6 -3.5 6.4 34 34 A D T 3 S+ 0 0 102 1,-0.2 11,-0.3 -3,-0.1 12,-0.2 0.766 119.0 43.4 -69.5 -22.1 -7.2 0.0 6.6 35 35 A D T 3 S+ 0 0 96 10,-0.1 -1,-0.2 9,-0.1 2,-0.1 0.270 87.2 112.1-110.4 19.9 -4.3 1.5 8.6 36 36 A W < - 0 0 12 -3,-1.1 9,-0.5 -14,-0.1 2,-0.3 -0.442 47.6-176.5 -81.0 158.7 -1.5 -0.1 6.6 37 37 A V - 0 0 28 -19,-0.3 -16,-0.5 -16,-0.2 -14,-0.2 -0.986 30.9 -73.6-158.5 162.1 0.6 2.4 4.6 38 38 A C - 0 0 26 5,-0.6 -20,-0.1 -2,-0.3 -26,-0.1 -0.357 30.2-139.3 -60.4 134.6 3.5 2.7 2.1 39 39 A P S S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.784 102.2 39.6 -63.3 -25.9 7.0 2.1 3.5 40 40 A I S S- 0 0 97 -29,-0.1 -22,-0.0 3,-0.0 -2,-0.0 0.927 140.8 -2.3 -89.7 -74.7 8.1 5.1 1.3 41 41 A C S S- 0 0 51 2,-0.0 -32,-0.0 -36,-0.0 -33,-0.0 0.665 77.3-145.1 -97.8 -14.3 5.5 7.9 1.4 42 42 A G - 0 0 29 1,-0.1 3,-0.2 -5,-0.0 -24,-0.0 0.773 31.4-179.2 63.3 17.0 2.9 6.1 3.6 43 43 A A - 0 0 20 1,-0.2 -5,-0.6 -6,-0.1 -1,-0.1 -0.110 43.1 -72.5 -57.4 149.8 0.2 7.8 1.5 44 44 A P > - 0 0 71 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 -0.242 39.0-130.5 -54.2 127.4 -3.4 7.0 2.6 45 45 A K T 3 S+ 0 0 44 -9,-0.5 3,-0.1 -11,-0.3 -10,-0.1 0.900 105.8 67.2 -42.2 -54.3 -4.4 3.4 1.7 46 46 A S T 3 S+ 0 0 101 1,-0.3 2,-1.9 -12,-0.2 -1,-0.3 0.806 81.5 80.4 -46.7 -22.3 -7.7 4.6 0.1 47 47 A E S < S+ 0 0 31 -3,-2.4 -41,-0.4 -44,-0.1 2,-0.4 -0.030 77.4 107.6 -70.1 38.4 -5.4 6.2 -2.5 48 48 A F + 0 0 50 -2,-1.9 2,-0.3 -43,-0.1 -43,-0.1 -0.953 44.1 172.1-124.6 139.6 -5.3 2.7 -3.9 49 49 A E 0 0 73 -2,-0.4 -45,-0.3 -45,-0.1 -2,-0.0 -0.999 360.0 360.0-146.7 147.4 -7.0 1.5 -7.2 50 50 A K 0 0 116 -2,-0.3 -47,-0.1 -47,-0.1 -2,-0.0 -0.875 360.0 360.0-167.3 360.0 -7.0 -1.6 -9.3