==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 16-JAN-01 1H7V . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GUILLARDIA THETA; . AUTHOR K.SCHWEIMER,S.HOFFMANN,J.WASTL,U.G.MAIER,P.ROESCH,H.STICHT . 60 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 48.3 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 . 12 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 3.3 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 6.7 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 . 1 2 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 . 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 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 0 195 0, 0.0 59,-0.8 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 141.7 10.2 -8.1 14.1 2 2 A E E +A 59 0A 142 57,-0.2 2,-0.3 54,-0.1 57,-0.2 -0.335 360.0 84.5 179.7 89.9 6.6 -9.1 13.2 3 3 A I E -A 58 0A 64 55,-1.6 55,-1.0 53,-0.1 2,-0.3 -0.983 48.2-136.5-177.7 171.8 4.2 -6.8 11.3 4 4 A D + 0 0 72 -2,-0.3 2,-0.2 53,-0.2 53,-0.2 -0.965 47.8 89.3-149.8 130.1 3.1 -5.6 7.8 5 5 A E S S- 0 0 138 -2,-0.3 51,-0.1 2,-0.2 -2,-0.0 -0.849 89.4 -41.6 179.8-141.7 2.2 -2.1 6.5 6 6 A G S S+ 0 0 12 -2,-0.2 2,-0.5 49,-0.1 28,-0.5 0.057 83.4 133.3-101.6 27.3 3.9 0.9 4.9 7 7 A K - 0 0 38 49,-0.1 49,-1.9 11,-0.1 2,-0.4 -0.650 34.7-173.0 -80.0 121.8 7.0 0.7 7.2 8 8 A Y E -BC 17 55B 34 9,-1.9 9,-2.7 -2,-0.5 2,-0.4 -0.931 8.9-162.1-118.7 140.6 10.2 0.9 5.1 9 9 A E E -BC 16 54B 65 45,-3.6 45,-2.1 -2,-0.4 2,-0.7 -0.931 25.6-116.6-119.8 142.6 13.8 0.5 6.3 10 10 A C E > - C 0 53B 0 5,-2.3 4,-2.0 -2,-0.4 43,-0.2 -0.633 15.1-160.6 -77.8 115.6 16.9 1.7 4.5 11 11 A E T 4 S+ 0 0 122 41,-1.8 -1,-0.2 -2,-0.7 42,-0.1 0.740 93.4 51.0 -67.2 -15.7 19.0 -1.4 3.6 12 12 A A T 4 S+ 0 0 57 40,-0.4 -1,-0.2 -3,-0.1 41,-0.1 0.951 135.4 1.3 -85.1 -60.8 21.9 1.2 3.3 13 13 A C T 4 S- 0 0 60 2,-0.0 -2,-0.2 0, 0.0 -1,-0.0 0.525 94.7-119.1-108.2 -4.3 21.7 3.1 6.6 14 14 A G < + 0 0 31 -4,-2.0 -3,-0.1 1,-0.1 39,-0.0 0.536 55.4 159.8 82.7 3.5 18.8 1.1 8.2 15 15 A Y - 0 0 44 -6,-0.2 -5,-2.3 1,-0.1 2,-0.4 0.054 32.0-137.8 -49.3 173.4 16.6 4.3 8.5 16 16 A I E -B 9 0B 73 -7,-0.3 2,-0.5 37,-0.1 -7,-0.3 -0.871 7.0-153.4-144.4 110.6 12.9 3.6 8.9 17 17 A Y E -B 8 0B 0 -9,-2.7 -9,-1.9 -2,-0.4 17,-0.1 -0.674 12.9-156.3 -83.7 128.5 10.2 5.6 7.1 18 18 A E > - 0 0 52 4,-0.5 4,-1.8 -2,-0.5 3,-0.4 -0.913 13.1-167.0-110.2 121.2 6.8 5.6 9.0 19 19 A P T 4 S+ 0 0 15 0, 0.0 12,-2.0 0, 0.0 13,-1.1 0.844 91.6 57.4 -71.8 -34.1 3.6 6.2 7.0 20 20 A E T 4 S+ 0 0 141 11,-0.2 -2,-0.0 10,-0.2 -13,-0.0 0.698 119.1 32.9 -70.9 -14.8 1.6 6.7 10.1 21 21 A K T 4 S- 0 0 140 -3,-0.4 3,-0.3 9,-0.2 -1,-0.2 0.595 107.7-134.9-113.3 -18.5 4.0 9.6 11.0 22 22 A G < - 0 0 6 -4,-1.8 2,-1.3 10,-0.2 -4,-0.5 -0.109 41.6 -61.2 85.3 170.7 4.9 10.8 7.5 23 23 A D S >> S+ 0 0 0 6,-0.5 4,-2.2 1,-0.2 3,-1.9 -0.224 70.2 157.2 -85.2 50.0 8.4 11.6 6.1 24 24 A K T 34 S+ 0 0 175 -2,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.914 71.3 57.3 -40.0 -54.8 8.8 14.4 8.8 25 25 A F T 34 S+ 0 0 140 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.873 121.9 28.3 -47.5 -37.0 12.6 14.1 8.4 26 26 A A T <4 S- 0 0 53 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.1 0.927 124.5 -87.0 -90.1 -66.0 12.1 14.8 4.7 27 27 A G S < S+ 0 0 61 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.1 0.314 76.9 123.0 156.1 51.6 8.9 16.9 4.5 28 28 A I - 0 0 41 -5,-0.4 -2,-0.1 -7,-0.1 -1,-0.1 -0.978 56.7-111.2-133.5 147.4 5.7 14.9 4.2 29 29 A P > - 0 0 85 0, 0.0 3,-0.5 0, 0.0 -6,-0.5 -0.253 43.2 -94.3 -70.3 161.1 2.5 14.8 6.4 30 30 A P T 3 S+ 0 0 89 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.230 105.7 46.1 -72.0 163.8 1.7 11.7 8.5 31 31 A G T 3 S+ 0 0 57 -12,-2.0 -11,-0.2 1,-0.3 -10,-0.0 0.637 81.5 133.8 78.0 11.0 -0.5 8.9 7.2 32 32 A T < - 0 0 21 -13,-1.1 -1,-0.3 -3,-0.5 -10,-0.2 -0.851 52.9-135.6-100.4 122.1 1.4 9.0 4.0 33 33 A P > - 0 0 46 0, 0.0 3,-3.3 0, 0.0 4,-0.4 -0.440 21.2-118.5 -72.5 143.3 2.5 5.6 2.6 34 34 A F G > S+ 0 0 16 -28,-0.5 3,-1.4 1,-0.3 19,-0.1 0.761 113.5 72.8 -54.5 -18.9 6.1 5.3 1.3 35 35 A V G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -29,-0.0 -3,-0.0 0.689 88.3 61.1 -70.5 -13.9 4.4 4.5 -2.0 36 36 A D G < S+ 0 0 114 -3,-3.3 -1,-0.3 2,-0.1 -2,-0.2 0.564 81.8 104.9 -88.8 -7.2 3.4 8.2 -2.2 37 37 A L S < S- 0 0 15 -3,-1.4 2,-0.1 -4,-0.4 -9,-0.0 -0.420 76.9-113.6 -72.2 148.7 7.1 9.2 -2.2 38 38 A S > - 0 0 80 1,-0.1 3,-1.9 -2,-0.1 12,-0.1 -0.349 26.9-107.1 -77.4 163.7 8.5 10.4 -5.6 39 39 A D T 3 S+ 0 0 117 1,-0.3 12,-0.3 11,-0.1 11,-0.2 0.623 121.8 57.0 -67.2 -7.1 11.2 8.4 -7.4 40 40 A S T 3 S+ 0 0 91 9,-0.1 -1,-0.3 10,-0.1 -2,-0.0 0.404 75.1 128.0-103.1 2.7 13.6 11.2 -6.3 41 41 A F < - 0 0 14 -3,-1.9 9,-2.6 8,-0.1 2,-0.4 -0.324 44.9-156.8 -58.7 136.3 12.9 10.9 -2.6 42 42 A M B -D 49 0C 111 7,-0.2 6,-0.1 8,-0.1 5,-0.1 -0.915 25.8 -95.9-119.5 145.8 16.2 10.6 -0.7 43 43 A C > - 0 0 0 5,-3.2 4,-1.6 -2,-0.4 7,-0.0 -0.365 24.2-146.7 -58.9 128.3 16.8 9.1 2.8 44 44 A P T 4 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.602 97.2 47.4 -72.1 -10.2 16.7 11.8 5.4 45 45 A A T 4 S+ 0 0 51 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.893 134.7 5.7 -96.0 -58.8 19.3 9.8 7.3 46 46 A C T 4 S- 0 0 46 2,-0.1 -3,-0.1 0, 0.0 -32,-0.0 0.378 92.4-124.3-108.3 5.4 21.9 8.7 4.7 47 47 A R < + 0 0 193 -4,-1.6 3,-0.1 1,-0.1 0, 0.0 0.712 57.0 155.7 62.4 17.5 20.5 10.7 1.8 48 48 A S - 0 0 25 -6,-0.1 -5,-3.2 1,-0.1 2,-0.2 -0.227 52.5 -84.0 -70.5 167.9 20.3 7.5 -0.3 49 49 A P B > -D 42 0C 69 0, 0.0 3,-3.9 0, 0.0 4,-0.3 -0.460 35.2-116.4 -72.9 141.5 17.9 7.2 -3.2 50 50 A K G > S+ 0 0 25 -9,-2.6 3,-2.4 1,-0.3 -8,-0.1 0.814 114.3 74.2 -48.4 -26.3 14.3 6.1 -2.3 51 51 A N G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -12,-0.3 -9,-0.1 0.679 87.2 62.2 -63.9 -11.1 15.1 3.0 -4.3 52 52 A Q G < S+ 0 0 55 -3,-3.9 -41,-1.8 2,-0.0 -40,-0.4 0.481 84.3 98.4 -91.8 -1.4 17.3 2.0 -1.3 53 53 A F E < -C 10 0B 11 -3,-2.4 2,-0.4 -4,-0.3 -43,-0.2 -0.679 53.9-171.4 -88.1 138.7 14.2 1.9 0.9 54 54 A K E -C 9 0B 114 -45,-2.1 -45,-3.6 -2,-0.3 2,-0.1 -0.969 18.9-124.1-129.0 144.4 12.5 -1.5 1.6 55 55 A S E -C 8 0B 33 -2,-0.4 2,-0.4 -47,-0.3 -47,-0.3 -0.353 13.4-135.0 -81.4 167.1 9.2 -2.3 3.3 56 56 A I + 0 0 55 -49,-1.9 2,-0.7 -51,-0.1 -49,-0.1 -0.600 44.4 145.4-122.2 72.6 8.9 -4.7 6.3 57 57 A K + 0 0 127 -2,-0.4 2,-0.3 -53,-0.2 -53,-0.2 -0.503 39.3 103.6-106.7 65.9 5.9 -6.9 5.6 58 58 A K E -A 3 0A 155 -55,-1.0 -55,-1.6 -2,-0.7 2,-0.4 -0.988 44.2-167.1-143.0 152.6 7.1 -10.2 7.2 59 59 A V E A 2 0A 79 -2,-0.3 -57,-0.2 -57,-0.2 -2,-0.0 -0.960 360.0 360.0-144.4 124.7 6.4 -12.1 10.4 60 60 A I 0 0 210 -59,-0.8 -2,-0.0 -2,-0.4 0, 0.0 -0.899 360.0 360.0-112.2 360.0 8.3 -15.1 11.9