==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 23-DEC-99 1DX8 . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GUILLARDIA THETA; . AUTHOR K.SCHWEIMER,S.HOFFMANN,J.WASTL,U.G.MAIER,P.ROESCH,H.STICHT . 70 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 44.3 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 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.9 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 . 8 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 5.7 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+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 0 170 0, 0.0 59,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -78.6 -16.4 -4.7 2.1 2 2 A E B +A 59 0A 139 57,-0.3 2,-0.3 55,-0.0 57,-0.2 -0.860 360.0 139.6-135.8 103.1 -18.6 -7.2 4.1 3 3 A I + 0 0 30 55,-1.9 3,-0.1 -2,-0.4 5,-0.0 -0.911 9.4 131.0-138.0 166.5 -17.0 -9.9 6.2 4 4 A D + 0 0 87 -2,-0.3 2,-3.5 53,-0.2 53,-0.1 0.223 41.7 109.7 174.0 -24.9 -17.5 -11.6 9.6 5 5 A E S S- 0 0 116 1,-0.2 15,-0.4 51,-0.1 3,-0.1 -0.238 111.0 -79.7 -69.7 61.4 -17.4 -15.4 9.2 6 6 A G S S+ 0 0 21 -2,-3.5 2,-0.6 1,-0.2 28,-0.4 0.798 81.9 164.8 48.6 25.5 -14.1 -15.5 11.1 7 7 A K - 0 0 51 49,-0.2 49,-0.7 11,-0.1 2,-0.3 -0.612 19.9-161.5 -76.1 117.4 -12.6 -14.4 7.7 8 8 A Y E -BC 17 55B 37 9,-1.6 9,-2.1 -2,-0.6 2,-0.5 -0.757 4.6-148.9-100.4 147.0 -9.0 -13.3 8.4 9 9 A E E -BC 16 54B 73 45,-3.7 45,-1.2 -2,-0.3 2,-0.7 -0.947 17.6-124.8-117.7 128.2 -7.0 -11.1 6.0 10 10 A C E > - C 0 53B 1 5,-3.1 4,-1.1 -2,-0.5 3,-0.3 -0.534 14.5-161.8 -69.9 112.0 -3.2 -11.3 5.6 11 11 A E T 4 S+ 0 0 139 41,-1.7 -1,-0.2 -2,-0.7 42,-0.1 0.672 89.0 59.9 -68.3 -11.5 -1.9 -7.7 6.2 12 12 A A T 4 S- 0 0 51 40,-0.4 -1,-0.2 3,-0.1 41,-0.1 0.874 130.7 -4.5 -85.2 -39.6 1.3 -8.9 4.5 13 13 A C T 4 S- 0 0 63 -3,-0.3 -2,-0.1 2,-0.1 -4,-0.0 0.657 95.1-105.0-125.6 -33.0 -0.1 -9.9 1.1 14 14 A G < + 0 0 37 -4,-1.1 2,-0.1 1,-0.2 -3,-0.1 0.628 63.2 150.4 112.8 21.6 -3.9 -9.5 1.1 15 15 A Y - 0 0 56 -5,-0.2 -5,-3.1 1,-0.0 2,-0.6 -0.491 38.4-138.8 -83.1 156.0 -5.0 -13.2 1.4 16 16 A I E -B 9 0B 70 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.908 8.1-148.7-120.6 109.9 -8.2 -14.2 3.1 17 17 A Y E -B 8 0B 0 -9,-2.1 -9,-1.6 -2,-0.6 17,-0.1 -0.588 11.3-150.6 -75.7 126.6 -8.2 -17.3 5.4 18 18 A E > - 0 0 65 -2,-0.4 4,-2.5 4,-0.2 -11,-0.1 -0.860 14.7-177.3-102.5 111.2 -11.6 -19.0 5.3 19 19 A P T 4 S+ 0 0 8 0, 0.0 13,-1.0 0, 0.0 -1,-0.2 0.998 84.1 43.8 -68.8 -70.0 -12.3 -20.8 8.6 20 20 A E T 4 S+ 0 0 122 -15,-0.4 11,-1.4 1,-0.3 -2,-0.1 0.799 125.1 40.5 -47.5 -26.2 -15.7 -22.4 7.9 21 21 A K T 4 S- 0 0 129 9,-0.3 -1,-0.3 11,-0.1 3,-0.1 0.813 106.6-142.3 -93.6 -33.7 -14.2 -23.3 4.5 22 22 A G < - 0 0 8 -4,-2.5 2,-1.8 10,-0.2 3,-0.2 0.042 31.8 -73.7 88.9 157.0 -10.7 -24.3 5.8 23 23 A D >>> + 0 0 0 6,-0.4 4,-3.5 1,-0.2 3,-2.3 -0.372 57.0 167.6 -85.0 61.3 -7.3 -23.6 4.1 24 24 A K T 345S+ 0 0 185 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.801 78.7 54.3 -46.5 -26.7 -7.9 -26.3 1.4 25 25 A F T 345S+ 0 0 187 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.784 116.9 34.7 -80.8 -25.3 -4.9 -24.7 -0.3 26 26 A A T <45S- 0 0 49 -3,-2.3 -2,-0.2 2,-0.2 -1,-0.1 0.772 122.4 -97.4 -97.8 -30.4 -2.7 -25.1 2.8 27 27 A G T <5S+ 0 0 64 -4,-3.5 -3,-0.2 1,-0.3 -2,-0.1 0.422 81.0 125.7 127.4 4.2 -4.1 -28.4 4.1 28 28 A I < - 0 0 23 -5,-1.3 -1,-0.3 4,-0.0 -2,-0.2 -0.826 51.2-137.8 -98.2 129.0 -6.6 -27.3 6.8 29 29 A P - 0 0 83 0, 0.0 -6,-0.4 0, 0.0 -7,-0.1 -0.170 28.2 -93.2 -74.3 173.1 -10.2 -28.6 6.4 30 30 A P S S+ 0 0 73 0, 0.0 -9,-0.3 0, 0.0 -10,-0.2 0.182 100.2 63.8 -70.9-163.4 -13.3 -26.4 7.0 31 31 A G S S+ 0 0 68 -11,-1.4 -11,-0.2 1,-0.1 -10,-0.1 0.900 83.3 113.2 50.2 40.6 -15.2 -26.1 10.3 32 32 A T - 0 0 22 -13,-1.0 -10,-0.2 -4,-0.1 -1,-0.1 -0.895 60.3-141.5-147.3 115.5 -12.0 -24.6 11.8 33 33 A P > - 0 0 63 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.366 29.4-113.5 -72.0 151.5 -11.6 -21.0 13.0 34 34 A F G > S+ 0 0 16 -28,-0.4 3,-2.0 1,-0.3 19,-0.1 0.859 116.6 67.3 -54.6 -32.5 -8.3 -19.2 12.3 35 35 A V G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -29,-0.0 -29,-0.0 0.688 98.8 52.9 -63.6 -13.5 -7.7 -19.2 16.0 36 36 A D G < S+ 0 0 104 -3,-2.7 -1,-0.3 3,-0.0 -2,-0.2 0.390 82.2 120.5-102.6 4.4 -7.4 -23.0 15.8 37 37 A L S < S- 0 0 15 -3,-2.0 -3,-0.0 -4,-0.3 0, 0.0 0.055 78.0 -70.6 -56.6 179.0 -4.7 -23.0 13.0 38 38 A S > - 0 0 68 1,-0.1 3,-1.1 4,-0.1 -1,-0.1 -0.227 46.7-105.1 -69.2 165.0 -1.4 -24.6 13.7 39 39 A D T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.767 120.8 25.1 -63.9 -20.8 1.1 -23.0 16.1 40 40 A S T 3 S+ 0 0 101 10,-0.1 -1,-0.3 9,-0.1 2,-0.1 -0.297 81.6 167.1-138.9 54.9 3.1 -21.9 13.1 41 41 A F < - 0 0 10 -3,-1.1 9,-2.3 8,-0.1 2,-0.4 -0.457 20.7-152.2 -70.7 141.0 0.8 -21.7 10.1 42 42 A M B -D 49 0C 123 7,-0.2 6,-0.1 -2,-0.1 5,-0.1 -0.905 25.1 -99.4-116.4 143.9 2.2 -19.9 7.1 43 43 A C > - 0 0 1 5,-2.7 4,-1.6 -2,-0.4 7,-0.0 -0.369 21.9-145.0 -60.2 132.8 0.3 -18.0 4.4 44 44 A P T 4 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.587 99.7 41.3 -74.9 -9.2 -0.2 -20.2 1.3 45 45 A A T 4 S+ 0 0 59 3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.788 137.2 9.3-106.2 -40.0 0.1 -17.0 -0.8 46 46 A C T 4 S- 0 0 40 2,-0.1 -3,-0.1 0, 0.0 0, 0.0 0.370 89.1-128.6-122.7 5.1 3.0 -15.1 0.8 47 47 A R < + 0 0 184 -4,-1.6 3,-0.1 1,-0.1 0, 0.0 0.710 53.9 155.4 57.6 18.2 4.3 -17.7 3.3 48 48 A S - 0 0 25 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.1 -0.311 52.7 -87.9 -72.3 163.3 4.0 -15.1 6.1 49 49 A P B > -D 42 0C 78 0, 0.0 3,-3.7 0, 0.0 4,-0.3 -0.413 35.4-114.1 -70.5 143.7 3.6 -16.3 9.7 50 50 A K G > S+ 0 0 32 -9,-2.3 3,-2.0 1,-0.3 -8,-0.1 0.800 115.6 72.3 -49.9 -24.6 0.0 -16.9 10.9 51 51 A N G 3 S+ 0 0 147 1,-0.3 -1,-0.3 -10,-0.2 -9,-0.1 0.716 86.2 65.2 -66.2 -14.1 0.7 -14.0 13.3 52 52 A Q G < S+ 0 0 69 -3,-3.7 -41,-1.7 -42,-0.0 -40,-0.4 0.564 84.4 95.0 -83.9 -5.6 0.5 -11.8 10.2 53 53 A F E < -C 10 0B 14 -3,-2.0 2,-0.4 -4,-0.3 -43,-0.2 -0.576 55.8-170.2 -85.1 149.5 -3.2 -12.6 9.7 54 54 A K E -C 9 0B 137 -45,-1.2 -45,-3.7 -2,-0.2 -2,-0.0 -0.991 20.8-120.5-141.7 132.7 -5.9 -10.3 11.1 55 55 A S E -C 8 0B 42 -2,-0.4 -47,-0.2 -47,-0.3 -46,-0.0 -0.051 19.2-162.7 -61.8 172.6 -9.6 -10.9 11.4 56 56 A I + 0 0 44 -49,-0.7 2,-0.9 -48,-0.0 -49,-0.2 -0.446 21.2 160.8-160.0 77.6 -12.1 -8.5 9.7 57 57 A K + 0 0 123 -53,-0.1 2,-0.3 -51,-0.1 -53,-0.2 -0.490 42.5 109.5-100.7 65.8 -15.7 -8.7 10.9 58 58 A K - 0 0 150 -2,-0.9 -55,-1.9 2,-0.0 2,-0.5 -0.971 53.5-147.5-137.5 153.1 -16.9 -5.3 9.6 59 59 A V B +A 2 0A 91 -2,-0.3 2,-0.5 -57,-0.2 -57,-0.3 -0.934 21.0 169.5-125.4 113.2 -19.3 -4.2 6.8 60 60 A I + 0 0 114 -59,-3.2 2,-0.2 -2,-0.5 -2,-0.0 -0.959 21.1 120.1-126.1 120.6 -18.6 -1.0 4.9 61 61 A A + 0 0 81 -2,-0.5 2,-0.1 -59,-0.0 -2,-0.0 -0.771 12.2 138.9-176.2 127.2 -20.6 -0.0 1.7 62 62 A G + 0 0 61 -2,-0.2 3,-0.1 1,-0.0 -1,-0.0 -0.546 6.6 144.5-176.8 105.0 -22.8 2.9 0.7 63 63 A F S S+ 0 0 201 1,-0.4 2,-0.3 -2,-0.1 -1,-0.0 0.639 74.6 23.7-118.8 -27.2 -22.9 4.8 -2.6 64 64 A A + 0 0 57 2,-0.0 -1,-0.4 0, 0.0 2,-0.1 -0.998 50.4 170.5-142.0 145.3 -26.7 5.6 -3.0 65 65 A E + 0 0 144 -2,-0.3 2,-1.0 -3,-0.1 -3,-0.0 -0.502 5.4 166.7-154.4 79.0 -29.6 6.0 -0.6 66 66 A N + 0 0 171 -2,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.282 62.3 62.3 -90.7 53.2 -32.9 7.3 -2.1 67 67 A Q S S- 0 0 146 -2,-1.0 -2,-0.0 2,-0.0 0, 0.0 -0.920 72.1-130.0-157.4-177.4 -35.0 6.4 0.9 68 68 A K - 0 0 185 -2,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.006 58.2 -96.4-134.4 30.3 -35.5 7.0 4.7 69 69 A Y 0 0 217 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.986 360.0 360.0 53.6 68.4 -35.7 3.4 6.1 70 70 A G 0 0 138 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.268 360.0 360.0 76.8 360.0 -39.5 3.1 6.1