==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 25-MAR-03 1OV8 . COMPND 2 MOLECULE: AURACYANIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROFLEXUS AURANTIACUS; . AUTHOR M.LEE,M.J.MAHER,H.C.FREEMAN,J.M.GUSS . 556 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 85 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 4 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 4 4 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 . 16 4 4 0 0 4 0 4 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 4 0 4 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 2 A A 0 0 116 0, 0.0 2,-1.4 0, 0.0 80,-0.2 0.000 360.0 360.0 360.0 -21.5 26.1 94.8 10.7 2 3 A N + 0 0 53 78,-0.2 95,-0.1 95,-0.1 80,-0.1 -0.676 360.0 126.6 -77.7 97.3 23.0 92.8 9.9 3 4 A A - 0 0 44 -2,-1.4 95,-0.0 78,-0.2 78,-0.0 -0.969 64.0 -91.5-151.2 158.9 20.7 95.7 9.4 4 5 A P + 0 0 69 0, 0.0 2,-0.3 0, 0.0 92,-0.2 -0.281 55.8 141.1 -66.1 163.2 18.2 97.2 6.9 5 6 A G B +A 95 0A 16 90,-1.7 90,-2.9 82,-0.0 2,-0.2 -0.933 11.5 150.3-175.3-163.0 19.5 99.6 4.3 6 7 A G > - 0 0 22 88,-0.3 3,-1.0 -2,-0.3 87,-0.3 -0.415 57.4 -91.5 127.1 154.2 19.3 100.7 0.7 7 8 A S T 3 S+ 0 0 87 85,-2.1 86,-0.2 1,-0.2 87,-0.1 0.808 123.0 48.0 -65.9 -30.4 19.7 103.9 -1.3 8 9 A N T 3 S+ 0 0 40 85,-2.3 102,-2.8 84,-0.2 -1,-0.2 0.313 79.2 126.6 -96.1 6.2 16.1 104.8 -1.0 9 10 A V B < +F 109 0B 57 -3,-1.0 2,-0.3 84,-0.3 100,-0.3 -0.426 35.5 178.0 -64.7 140.1 15.7 104.3 2.7 10 11 A V - 0 0 32 98,-1.9 2,-0.9 2,-0.1 98,-0.1 -0.974 38.0-128.4-142.7 156.2 14.2 107.2 4.6 11 12 A N + 0 0 173 -2,-0.3 2,-0.3 2,-0.0 98,-0.1 -0.659 68.2 116.4-102.4 73.8 13.1 108.2 8.1 12 13 A E S S- 0 0 91 -2,-0.9 -2,-0.1 30,-0.1 3,-0.0 -0.926 75.4 -86.8-135.7 159.3 9.6 109.4 7.2 13 14 A T - 0 0 128 -2,-0.3 28,-0.2 1,-0.1 2,-0.1 -0.486 52.4-115.1 -64.3 130.0 6.1 108.4 8.1 14 15 A P - 0 0 38 0, 0.0 28,-0.2 0, 0.0 3,-0.1 -0.477 17.0-159.0 -71.1 138.3 5.0 105.8 5.6 15 16 A A S S+ 0 0 75 26,-2.9 2,-0.3 1,-0.2 27,-0.2 0.690 84.4 14.4 -80.0 -26.4 2.1 106.7 3.3 16 17 A Q E -g 42 0B 85 25,-1.5 27,-2.1 -3,-0.0 2,-0.3 -0.981 66.1-156.1-147.0 153.1 1.5 103.0 2.9 17 18 A T E -g 43 0B 80 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.953 11.3-173.2-126.5 149.2 2.5 99.7 4.5 18 19 A V E -g 44 0B 31 25,-2.3 27,-2.9 -2,-0.3 2,-0.4 -0.995 14.3-139.4-144.0 139.8 2.7 96.3 2.9 19 20 A E E -g 45 0B 95 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.823 14.6-174.4-102.3 139.2 3.3 92.8 4.3 20 21 A V E -g 46 0B 0 25,-2.8 27,-2.9 -2,-0.4 2,-0.3 -0.983 7.4-167.1-125.3 138.7 5.4 90.1 2.7 21 22 A R E -g 47 0B 93 -2,-0.4 9,-3.3 25,-0.2 10,-0.6 -0.871 20.9-115.8-125.4 157.2 5.7 86.6 4.1 22 23 A A B -I 29 0C 6 25,-1.6 7,-0.3 -2,-0.3 27,-0.2 -0.569 38.2-101.1 -85.4 153.6 8.0 83.7 3.4 23 24 A A - 0 0 16 5,-3.3 3,-0.4 3,-0.2 5,-0.3 -0.587 32.1-137.4 -65.7 139.9 6.7 80.5 2.0 24 25 A P S S+ 0 0 66 0, 0.0 27,-3.6 0, 0.0 28,-0.3 0.807 95.5 25.3 -71.2 -32.0 6.5 78.2 5.0 25 26 A D S S+ 0 0 97 25,-0.2 2,-0.3 26,-0.1 25,-0.1 0.041 118.4 53.4-123.9 24.3 7.9 75.1 3.2 26 27 A A S S- 0 0 38 -3,-0.4 2,-1.9 2,-0.2 -3,-0.2 -0.985 84.6-103.3-153.3 163.8 9.9 76.5 0.4 27 28 A L S S+ 0 0 9 -2,-0.3 2,-0.3 165,-0.2 -5,-0.0 -0.522 87.9 92.6 -85.6 71.9 12.7 78.9 -0.5 28 29 A A S S- 0 0 28 -2,-1.9 -5,-3.3 -5,-0.3 2,-0.3 -0.970 78.8-101.9-154.6 165.8 10.3 81.5 -1.8 29 30 A F B -I 22 0C 6 103,-0.3 -7,-0.3 -2,-0.3 103,-0.1 -0.720 26.9-135.1 -88.9 145.2 8.3 84.5 -1.0 30 31 A A S S+ 0 0 55 -9,-3.3 2,-0.6 -2,-0.3 -8,-0.1 0.856 99.1 51.8 -67.2 -31.3 4.6 83.8 -0.4 31 32 A Q + 0 0 62 -10,-0.6 -1,-0.2 1,-0.1 3,-0.0 -0.919 62.3 180.0-109.6 114.4 3.9 86.9 -2.5 32 33 A T + 0 0 89 -2,-0.6 102,-2.9 1,-0.1 2,-0.4 0.470 69.1 46.4 -91.6 -1.9 5.6 86.9 -5.9 33 34 A S E -b 134 0A 87 100,-0.2 2,-0.3 102,-0.0 102,-0.2 -0.992 59.5-179.4-142.3 138.1 4.2 90.3 -7.0 34 35 A L E -b 135 0A 23 100,-2.7 102,-3.0 -2,-0.4 2,-0.4 -0.940 9.1-159.3-129.5 157.2 3.8 93.6 -5.4 35 36 A S E +b 136 0A 84 -2,-0.3 102,-0.2 100,-0.2 100,-0.1 -0.990 19.3 160.2-138.6 123.0 2.3 96.9 -6.6 36 37 A L E -b 137 0A 8 100,-2.0 102,-1.9 -2,-0.4 2,-0.1 -0.985 40.2-103.0-141.7 152.5 3.1 100.4 -5.2 37 38 A P E > -b 138 0A 29 0, 0.0 3,-0.6 0, 0.0 74,-0.2 -0.439 47.3-101.9 -71.9 147.5 2.8 104.0 -6.3 38 39 A A T 3 S+ 0 0 16 100,-2.2 75,-0.2 1,-0.2 3,-0.1 -0.261 96.2 11.6 -68.5 158.1 6.0 105.8 -7.3 39 40 A N T 3 S+ 0 0 103 73,-1.0 2,-0.3 72,-0.4 -1,-0.2 0.839 95.2 136.0 38.3 53.7 7.9 108.2 -5.2 40 41 A T < - 0 0 26 -3,-0.6 71,-2.4 72,-0.1 2,-0.5 -0.964 61.3-116.3-126.0 139.0 5.9 107.2 -2.1 41 42 A V E + H 0 110B 11 -2,-0.3 -26,-2.9 69,-0.2 -25,-1.5 -0.657 45.0 176.2 -79.4 121.8 7.1 106.5 1.4 42 43 A V E -gH 16 109B 0 67,-2.8 67,-2.4 -2,-0.5 2,-0.6 -0.968 27.8-147.3-131.7 145.6 6.4 102.9 2.2 43 44 A R E -gH 17 108B 83 -27,-2.1 -25,-2.3 -2,-0.4 2,-0.6 -0.954 14.9-159.9-110.9 118.7 7.0 100.5 5.0 44 45 A L E -gH 18 107B 2 63,-2.6 63,-1.5 -2,-0.6 2,-0.7 -0.846 2.0-158.9 -98.0 124.0 7.6 97.0 4.0 45 46 A D E -gH 19 106B 27 -27,-2.9 -25,-2.8 -2,-0.6 2,-0.7 -0.899 4.5-163.9-106.0 112.0 7.1 94.4 6.7 46 47 A F E -gH 20 105B 1 59,-2.9 59,-2.1 -2,-0.7 2,-0.7 -0.853 2.4-166.1 -98.0 114.0 8.8 91.1 6.0 47 48 A V E -gH 21 104B 11 -27,-2.9 -25,-1.6 -2,-0.7 2,-1.0 -0.890 1.5-164.6-101.2 113.1 7.5 88.2 8.3 48 49 A N E + H 0 103B 0 55,-2.6 54,-3.0 -2,-0.7 55,-0.6 -0.697 27.2 149.1-101.6 82.7 9.8 85.2 8.2 49 50 A Q + 0 0 103 -2,-1.0 2,-0.3 52,-0.2 -27,-0.1 -0.968 21.5 149.9-108.9 121.1 7.8 82.3 9.6 50 51 A N - 0 0 19 -2,-0.5 3,-0.4 -25,-0.1 -25,-0.2 -0.987 52.0-131.7-151.8 160.5 8.8 79.0 8.0 51 52 A N S S+ 0 0 119 -27,-3.6 -26,-0.1 -2,-0.3 -1,-0.0 0.315 96.6 70.0 -96.7 9.0 9.1 75.3 8.8 52 53 A L S S- 0 0 13 -28,-0.3 115,-0.3 2,-0.1 -1,-0.2 0.507 97.9-124.6-102.5 -10.4 12.7 74.9 7.4 53 54 A G + 0 0 41 -3,-0.4 48,-0.2 1,-0.2 2,-0.2 0.698 62.5 148.4 71.3 22.8 14.5 76.9 10.1 54 55 A V - 0 0 5 46,-0.1 -1,-0.2 1,-0.1 2,-0.2 -0.596 47.7-123.3-100.8 149.8 16.0 79.0 7.4 55 56 A Q + 0 0 21 -2,-0.2 2,-0.3 45,-0.1 45,-0.2 -0.535 32.9 172.1 -81.8 150.3 17.0 82.7 7.2 56 57 A H B -J 99 0D 0 43,-2.0 43,-2.7 -2,-0.2 2,-0.3 -0.990 12.1-174.0-151.3 155.9 15.5 85.1 4.7 57 58 A N - 0 0 0 -2,-0.3 2,-0.4 41,-0.2 66,-0.1 -0.829 24.0-122.8-138.3-179.2 15.5 88.8 3.8 58 59 A W - 0 0 2 -2,-0.3 38,-2.0 39,-0.2 2,-0.5 -0.997 28.0-179.8-132.2 122.8 13.7 91.1 1.3 59 60 A V E -CD 95 120A 0 61,-2.4 61,-2.8 -2,-0.4 2,-0.5 -0.972 15.3-154.4-132.4 119.1 15.8 93.1 -1.0 60 61 A L E -CD 94 119A 0 34,-3.0 33,-1.8 -2,-0.5 34,-1.3 -0.791 19.1-157.7 -92.3 126.1 14.4 95.5 -3.7 61 62 A V E -C 92 0A 0 57,-2.9 2,-2.4 -2,-0.5 57,-0.4 -0.810 24.0-120.4-111.1 148.6 16.8 96.0 -6.6 62 63 A N S S- 0 0 66 29,-3.6 2,-0.3 -2,-0.3 55,-0.1 -0.378 89.7 -5.6 -77.8 64.5 17.1 98.9 -9.2 63 64 A G S S- 0 0 20 -2,-2.4 55,-1.9 55,-0.2 -2,-0.2 -0.999 89.8 -56.5 152.2-150.0 16.5 96.7 -12.2 64 65 A G S >> S- 0 0 33 -2,-0.3 4,-3.4 53,-0.2 3,-0.6 -0.268 74.1 -46.8-117.2-159.0 16.1 93.1 -13.3 65 66 A D H 3> S+ 0 0 78 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.827 131.6 50.6 -43.3 -43.3 17.7 89.6 -13.2 66 67 A D H 3> S+ 0 0 151 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.929 114.5 41.6 -67.3 -42.2 21.0 91.0 -14.2 67 68 A V H <> S+ 0 0 37 -3,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.890 111.6 58.7 -68.6 -36.4 21.0 93.8 -11.6 68 69 A A H X S+ 0 0 0 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.886 102.7 53.4 -59.4 -37.5 19.7 91.2 -9.1 69 70 A A H X S+ 0 0 38 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.906 107.5 49.9 -67.0 -40.3 22.8 89.0 -9.7 70 71 A A H X S+ 0 0 64 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.946 114.7 43.4 -63.7 -47.2 25.2 91.9 -9.0 71 72 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.954 115.1 49.7 -61.3 -48.5 23.4 92.8 -5.8 72 73 A N H X S+ 0 0 13 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.863 111.3 49.5 -59.7 -38.2 23.1 89.1 -4.8 73 74 A T H X S+ 0 0 71 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.903 108.8 51.4 -67.3 -41.5 26.8 88.5 -5.5 74 75 A A H < S+ 0 0 32 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.885 113.0 47.6 -62.3 -36.1 27.8 91.5 -3.4 75 76 A A H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.891 101.5 63.3 -70.5 -41.1 25.7 90.0 -0.7 76 77 A Q H 3< S+ 0 0 48 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.816 101.6 53.5 -54.0 -29.3 27.2 86.6 -1.1 77 78 A N T 3< S+ 0 0 95 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.1 0.033 93.0 77.6 -97.0 31.2 30.5 88.1 -0.1 78 79 A N X > + 0 0 32 -3,-1.9 5,-2.0 1,-0.1 3,-1.6 -0.294 42.7 144.3-136.1 51.0 29.2 89.6 3.1 79 80 A A G > 5 + 0 0 11 1,-0.3 3,-1.9 -3,-0.3 -1,-0.1 0.775 65.7 70.3 -61.1 -28.4 28.9 86.7 5.6 80 81 A D G 3 5S+ 0 0 142 1,-0.3 -1,-0.3 -3,-0.1 -78,-0.2 0.717 104.9 41.0 -66.2 -17.9 29.9 88.9 8.5 81 82 A A G X 5S- 0 0 5 -3,-1.6 3,-0.8 -80,-0.2 -1,-0.3 -0.002 125.8 -97.3-116.9 24.2 26.6 90.7 8.2 82 83 A L T < 5S- 0 0 51 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.824 74.4 -64.8 62.7 35.9 24.5 87.5 7.6 83 84 A F T 3 - 0 0 34 0, 0.0 3,-1.4 0, 0.0 -11,-0.1 -0.349 46.4 -84.3 -60.6 154.7 26.7 95.7 2.0 87 88 A P T 3 S+ 0 0 107 0, 0.0 -82,-0.0 0, 0.0 -80,-0.0 -0.340 117.0 21.3 -61.2 140.3 25.9 99.4 2.6 88 89 A D T 3 S+ 0 0 164 1,-0.3 3,-0.0 4,-0.1 -83,-0.0 0.719 82.8 165.3 68.7 21.5 26.2 101.5 -0.5 89 90 A T X - 0 0 16 -3,-1.4 3,-1.5 1,-0.1 -1,-0.3 -0.577 45.0-106.4 -63.0 122.1 25.8 98.5 -2.7 90 91 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.344 95.4 5.0 -59.8 133.3 25.0 99.8 -6.2 91 92 A N T 3 S+ 0 0 80 1,-0.2 -29,-3.6 -2,-0.1 2,-0.8 0.571 89.2 129.2 67.9 16.0 21.4 99.4 -7.4 92 93 A A E < - C 0 61A 1 -3,-1.5 -85,-2.1 -31,-0.2 -31,-0.2 -0.868 33.3-178.6 -97.3 103.7 20.1 98.0 -4.1 93 94 A L E - 0 0 6 -33,-1.8 -85,-2.3 -2,-0.8 -84,-0.3 0.903 59.8 -15.8 -73.1 -46.2 17.1 100.2 -3.4 94 95 A A E - C 0 60A 0 -34,-1.3 -34,-3.0 -88,-0.2 2,-0.3 -0.961 60.1-178.3-157.1 147.1 16.0 98.9 -0.0 95 96 A W E -AC 5 59A 10 -90,-2.9 -90,-1.7 -2,-0.3 -36,-0.2 -1.000 19.9-135.8-149.9 149.5 16.5 95.8 2.2 96 97 A T - 0 0 0 -38,-2.0 -93,-0.2 -2,-0.3 11,-0.1 -0.472 44.1 -91.7 -82.8 167.3 15.4 94.3 5.5 97 98 A A - 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