==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 30-MAR-98 1A8Z . COMPND 2 MOLECULE: RUSTICYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS; . AUTHOR I.HARVEY,Q.HAO,E.M.H.DUKE,W.J.INGLEDEW,S.S.HASNAIN . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 . 21 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 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 . 1 0 2 0 0 0 0 1 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 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 3 A L 0 0 117 0, 0.0 2,-0.6 0, 0.0 106,-0.2 0.000 360.0 360.0 360.0 156.8 -15.6 13.8 19.8 2 4 A D B +a 107 0A 29 104,-2.8 106,-2.8 1,-0.1 121,-0.0 -0.636 360.0 160.6 -75.8 115.2 -14.1 11.2 22.1 3 5 A T + 0 0 99 -2,-0.6 2,-0.6 104,-0.2 -1,-0.1 -0.034 35.4 111.5-125.1 25.4 -12.4 13.1 25.0 4 6 A S - 0 0 85 118,-0.1 2,-0.3 104,-0.0 118,-0.3 -0.922 46.7-174.6-104.6 119.2 -12.2 10.3 27.6 5 7 A W - 0 0 54 -2,-0.6 2,-0.3 116,-0.1 116,-0.2 -0.836 15.1-169.1-119.6 152.9 -8.7 9.1 28.3 6 8 A K E -B 120 0B 130 114,-2.3 114,-2.2 -2,-0.3 2,-0.4 -0.874 22.9-121.4-127.0 165.1 -7.0 6.4 30.3 7 9 A E E -B 119 0B 77 -2,-0.3 2,-0.4 112,-0.2 112,-0.2 -0.899 24.9-176.7-117.4 138.6 -3.3 6.0 31.2 8 10 A A E -B 118 0B 0 110,-2.1 110,-2.2 -2,-0.4 2,-0.1 -0.982 20.9-130.4-133.5 144.8 -1.1 3.0 30.4 9 11 A T E >> -B 117 0B 49 -2,-0.4 4,-2.2 108,-0.2 3,-0.9 -0.428 43.5 -92.7 -84.2 167.9 2.5 2.1 31.3 10 12 A L H 3> S+ 0 0 82 106,-0.5 4,-2.3 1,-0.3 5,-0.2 0.808 124.6 53.0 -53.6 -42.7 4.9 0.9 28.5 11 13 A P H 3> S+ 0 0 91 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.862 110.6 49.9 -63.8 -31.1 4.3 -2.8 28.9 12 14 A Q H <> S+ 0 0 96 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.950 108.6 51.8 -69.2 -45.3 0.5 -2.1 28.6 13 15 A V H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.911 110.4 48.8 -56.0 -45.3 1.1 -0.0 25.4 14 16 A K H X S+ 0 0 121 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.859 110.0 51.9 -64.7 -34.7 3.0 -2.9 23.9 15 17 A A H < S+ 0 0 36 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.904 110.6 48.3 -68.0 -40.1 0.3 -5.4 24.9 16 18 A M H >< S+ 0 0 37 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.913 103.1 60.2 -67.8 -42.0 -2.4 -3.2 23.2 17 19 A L H >< S+ 0 0 43 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.789 100.6 57.4 -54.6 -31.8 -0.4 -2.7 20.0 18 20 A Q T 3< S+ 0 0 149 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.502 91.1 71.6 -76.7 -12.0 -0.5 -6.5 19.5 19 21 A K T < + 0 0 124 -3,-2.1 2,-0.5 -4,-0.2 -1,-0.2 0.305 63.2 122.1 -87.8 5.2 -4.3 -6.7 19.6 20 22 A D < - 0 0 8 -3,-0.8 18,-0.2 1,-0.1 -3,-0.0 -0.600 53.6-153.1 -70.6 124.7 -4.7 -5.1 16.1 21 23 A T + 0 0 73 16,-2.3 11,-0.3 -2,-0.5 -1,-0.1 0.319 52.6 111.9 -86.5 12.7 -6.7 -7.7 14.1 22 24 A G - 0 0 10 15,-0.4 2,-0.5 9,-0.1 9,-0.2 -0.355 60.2-132.6 -87.2 165.4 -5.4 -6.7 10.6 23 25 A K E -H 30 0C 159 7,-1.9 7,-2.8 -2,-0.1 2,-0.2 -0.970 24.4-136.1-115.7 127.8 -3.2 -8.6 8.1 24 26 A V E +H 29 0C 42 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.526 28.9 164.8 -87.8 149.9 -0.4 -6.6 6.5 25 27 A S E > S-H 28 0C 90 3,-1.9 3,-0.7 1,-0.2 2,-0.2 -0.730 71.4 -40.7-162.7 103.0 0.6 -6.7 2.9 26 28 A G T 3 S- 0 0 58 1,-0.2 -1,-0.2 -2,-0.2 2,-0.0 -0.554 123.5 -29.6 70.9-134.0 2.9 -4.0 1.6 27 29 A D T 3 S+ 0 0 75 -2,-0.2 34,-2.1 -3,-0.1 2,-0.4 -0.316 120.4 97.5-109.7 46.8 1.6 -0.8 3.3 28 30 A T E < -Hi 25 61C 42 -3,-0.7 -3,-1.9 32,-0.2 2,-0.5 -0.999 56.2-157.6-134.0 134.4 -2.0 -2.0 3.5 29 31 A V E -Hi 24 62C 0 32,-2.4 34,-2.9 -2,-0.4 2,-0.5 -0.976 12.6-157.8-116.2 120.9 -3.6 -3.6 6.5 30 32 A T E -Hi 23 63C 66 -7,-2.8 -7,-1.9 -2,-0.5 2,-0.2 -0.881 5.4-163.2-104.7 122.5 -6.7 -5.7 5.7 31 33 A Y - 0 0 7 32,-2.6 2,-0.3 -2,-0.5 -9,-0.1 -0.642 8.3-179.1-101.9 158.9 -9.3 -6.4 8.4 32 34 A S + 0 0 97 -11,-0.3 2,-0.2 -2,-0.2 3,-0.1 -0.990 33.4 52.9-153.9 155.2 -12.1 -9.1 8.3 33 35 A G S S- 0 0 53 -2,-0.3 3,-0.2 1,-0.1 -2,-0.0 -0.484 88.3 -67.5 110.6 178.2 -14.9 -10.3 10.5 34 36 A K S S+ 0 0 178 1,-0.3 35,-2.7 -2,-0.2 2,-0.5 0.861 122.6 26.5 -75.3 -42.9 -18.0 -8.7 12.2 35 37 A T E S-c 69 0B 65 33,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.993 77.7-166.8-123.8 119.4 -16.1 -6.6 14.7 36 38 A V E -c 70 0B 0 33,-2.6 35,-2.8 -2,-0.5 2,-0.5 -0.747 11.3-140.9-107.0 154.7 -12.5 -5.5 13.8 37 39 A H E -c 71 0B 74 -2,-0.3 -16,-2.3 33,-0.2 2,-0.5 -0.968 14.2-173.9-121.5 115.1 -9.9 -4.0 16.1 38 40 A V E -c 72 0B 2 33,-2.5 35,-2.4 -2,-0.5 2,-0.6 -0.913 2.9-169.5-104.5 124.9 -7.7 -1.2 14.9 39 41 A V E +c 73 0B 5 -2,-0.5 16,-0.8 33,-0.2 2,-0.3 -0.955 12.5 179.4-121.0 108.2 -4.9 -0.1 17.3 40 42 A A E -cD 74 54B 0 33,-2.7 35,-2.1 -2,-0.6 2,-0.4 -0.853 7.5-167.1-108.3 147.4 -3.2 3.1 16.1 41 43 A A E -cD 75 53B 0 12,-2.0 12,-2.4 -2,-0.3 2,-0.7 -0.982 23.3-122.2-136.0 146.9 -0.4 5.0 17.8 42 44 A A E S-cD 76 52B 0 33,-2.2 35,-1.1 -2,-0.4 36,-0.3 -0.811 83.9 -26.2 -91.2 115.3 1.1 8.4 17.3 43 45 A V - 0 0 9 8,-2.4 -1,-0.2 -2,-0.7 9,-0.1 0.949 69.7-149.4 46.0 82.2 4.8 8.3 16.5 44 46 A L > - 0 0 18 -3,-0.3 3,-2.6 1,-0.1 -1,-0.1 -0.568 41.9 -79.3 -73.1 145.1 6.2 5.1 18.0 45 47 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 33,-0.0 -0.158 120.7 21.5 -48.1 129.7 9.9 5.4 19.1 46 48 A G T 3 S+ 0 0 87 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.220 100.4 108.1 95.2 -17.6 12.1 5.1 16.1 47 49 A F S < S- 0 0 60 -3,-2.6 -1,-0.3 1,-0.1 4,-0.1 -0.612 80.3 -83.4 -91.2 160.3 9.4 6.0 13.5 48 50 A P - 0 0 69 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.222 53.9 -92.8 -64.5 142.7 9.3 9.3 11.6 49 51 A F S S+ 0 0 106 1,-0.2 3,-0.1 -6,-0.1 -7,-0.0 -0.830 103.1 22.9 -97.7 132.0 7.8 12.4 13.1 50 52 A P S S+ 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.658 95.0 111.0-103.2 144.1 4.9 13.1 12.7 51 53 A S - 0 0 1 95,-0.1 -8,-2.4 -4,-0.1 2,-0.4 -0.988 54.2-119.4-162.4 165.7 3.2 9.9 11.8 52 54 A F E -D 42 0B 0 -2,-0.3 7,-3.3 -10,-0.2 2,-0.4 -0.865 22.4-155.2-109.7 146.1 0.6 7.2 12.8 53 55 A E E +DE 41 58B 1 -12,-2.4 -12,-2.0 -2,-0.4 2,-0.4 -0.992 13.1 177.3-122.9 130.0 1.6 3.6 13.1 54 56 A V E > S-DE 40 57B 0 3,-1.9 3,-1.2 -2,-0.4 -14,-0.2 -0.994 77.5 -8.9-133.3 123.9 -0.9 0.8 12.8 55 57 A H T 3 S- 0 0 69 -16,-0.8 -1,-0.1 -2,-0.4 3,-0.1 0.883 129.9 -59.3 57.4 37.0 0.2 -2.8 13.0 56 58 A D T 3 S+ 0 0 109 1,-0.2 2,-0.3 -39,-0.1 -1,-0.3 0.714 112.2 115.0 65.6 24.9 3.8 -1.5 13.0 57 59 A K E < S-E 54 0B 65 -3,-1.2 -3,-1.9 -30,-0.0 2,-0.5 -0.902 70.2-111.6-121.1 152.6 3.5 0.2 9.6 58 60 A K E S-E 53 0B 95 -2,-0.3 -5,-0.2 1,-0.2 -7,-0.0 -0.745 85.0 -28.8 -89.7 122.6 3.8 3.9 9.0 59 61 A N S S- 0 0 35 -7,-3.3 90,-0.3 -2,-0.5 -1,-0.2 0.858 86.6-174.2 41.5 53.3 0.5 5.6 7.9 60 62 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 -32,-0.2 -0.309 30.1-105.8 -76.2 161.8 -0.8 2.4 6.2 61 63 A T E -i 28 0C 33 -34,-2.1 -32,-2.4 87,-0.2 2,-0.5 -0.769 35.4-142.6 -82.0 126.5 -4.0 2.3 4.1 62 64 A L E -ij 29 150C 3 87,-2.8 89,-3.1 -2,-0.5 2,-0.7 -0.830 8.6-158.1 -95.8 127.8 -6.7 0.5 6.1 63 65 A D E -ij 30 151C 56 -34,-2.9 -32,-2.6 -2,-0.5 89,-0.2 -0.906 17.0-178.3-106.2 109.0 -9.1 -1.9 4.2 64 66 A I E - j 0 152C 4 87,-2.5 89,-2.1 -2,-0.7 2,-0.3 -0.865 27.7-119.1-109.6 138.9 -12.3 -2.3 6.2 65 67 A P > - 0 0 38 0, 0.0 3,-1.7 0, 0.0 87,-0.0 -0.574 37.2-107.4 -76.4 136.1 -15.2 -4.6 5.2 66 68 A A T 3 S+ 0 0 51 -2,-0.3 62,-0.1 1,-0.2 3,-0.1 -0.375 104.4 26.6 -61.1 135.9 -18.5 -2.7 4.8 67 69 A G T 3 S+ 0 0 71 60,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.225 89.8 129.3 96.5 -15.6 -20.9 -3.4 7.6 68 70 A A < - 0 0 3 -3,-1.7 2,-0.5 1,-0.1 -1,-0.3 -0.387 62.6-121.3 -75.6 147.1 -18.2 -4.2 10.2 69 71 A T E -c 35 0B 35 -35,-2.7 -33,-2.6 57,-0.1 2,-0.7 -0.823 29.1-148.5 -84.5 126.6 -18.2 -2.6 13.6 70 72 A V E -cF 36 125B 2 55,-3.1 55,-1.9 -2,-0.5 2,-0.7 -0.896 10.7-166.3-105.3 108.8 -14.8 -0.9 13.9 71 73 A D E -cF 37 124B 46 -35,-2.8 -33,-2.5 -2,-0.7 2,-0.4 -0.880 13.8-166.5 -93.4 116.3 -13.3 -0.7 17.5 72 74 A V E -cF 38 123B 3 51,-3.0 51,-2.5 -2,-0.7 2,-0.5 -0.885 12.7-170.6-109.7 132.1 -10.5 1.8 17.4 73 75 A T E -cF 39 122B 14 -35,-2.4 -33,-2.7 -2,-0.4 2,-0.4 -0.987 9.2-168.1-117.8 126.1 -7.9 2.2 20.2 74 76 A F E -cF 40 121B 0 47,-2.6 47,-2.4 -2,-0.5 2,-0.4 -0.990 3.5-173.4-119.7 132.3 -5.6 5.3 19.8 75 77 A I E -cF 41 120B 0 -35,-2.1 -33,-2.2 -2,-0.4 2,-0.8 -0.983 17.1-146.5-124.8 132.6 -2.5 5.7 22.0 76 78 A N E +c 42 0B 0 43,-2.5 43,-0.4 -2,-0.4 -33,-0.1 -0.876 28.1 161.8-101.4 105.6 -0.3 8.8 22.0 77 79 A T + 0 0 11 -35,-1.1 2,-0.8 -2,-0.8 -1,-0.1 0.326 40.5 108.7-102.8 7.5 3.3 7.6 22.6 78 80 A N > - 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