==== 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 21-DEC-05 2CAL . COMPND 2 MOLECULE: RUSTICYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THIOBACILLUS FERROOXIDANS; . AUTHOR M.L.BARRETT,I.HARVEY,M.SUNDARARAJAN,R.SURENDRAN,J.F.HALL,M.J . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 66.0 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 . 40 26.1 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 . 18 11.8 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 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1003 A L 0 0 121 0, 0.0 2,-0.6 0, 0.0 106,-0.2 0.000 360.0 360.0 360.0 157.7 9.6 7.6 -1.6 2 1004 A D B +a 107 0A 30 104,-2.7 106,-2.6 1,-0.1 121,-0.0 -0.698 360.0 161.9 -77.1 118.6 8.2 4.9 -4.0 3 1005 A T + 0 0 94 -2,-0.6 2,-0.5 104,-0.2 -1,-0.1 0.026 35.9 108.5-130.2 24.8 6.4 6.9 -6.6 4 1006 A T - 0 0 104 118,-0.1 2,-0.3 104,-0.0 118,-0.3 -0.932 47.2-176.2-108.2 127.4 6.2 4.2 -9.4 5 1007 A W - 0 0 51 -2,-0.5 2,-0.2 116,-0.1 116,-0.2 -0.878 18.3-163.8-130.5 148.8 2.7 2.7 -10.0 6 1008 A K E -B 120 0B 128 114,-2.7 114,-2.2 -2,-0.3 2,-0.4 -0.759 25.6-119.2-118.6 168.4 1.0 0.1 -12.1 7 1009 A E E -B 119 0B 74 -2,-0.2 2,-0.4 112,-0.2 112,-0.2 -0.934 25.4-168.6-117.7 142.1 -2.7 -0.3 -12.8 8 1010 A A E -B 118 0B 0 110,-2.3 110,-2.1 -2,-0.4 2,-0.1 -0.972 16.9-133.5-129.7 142.2 -4.9 -3.3 -11.9 9 1011 A T > - 0 0 52 -2,-0.4 4,-2.5 108,-0.2 5,-0.2 -0.321 42.5 -97.1 -77.9 169.7 -8.4 -4.5 -12.8 10 1012 A L H > S+ 0 0 104 106,-0.4 4,-2.7 1,-0.2 5,-0.2 0.925 125.2 52.2 -59.8 -45.3 -10.7 -5.7 -10.0 11 1013 A P H > S+ 0 0 96 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.893 110.7 49.7 -59.0 -36.6 -9.9 -9.4 -10.6 12 1014 A Q H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.904 109.9 50.6 -64.6 -40.8 -6.2 -8.5 -10.3 13 1015 A V H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.942 110.9 48.3 -61.5 -49.0 -6.9 -6.5 -7.1 14 1016 A K H X S+ 0 0 43 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.917 110.8 52.2 -57.6 -43.4 -8.8 -9.4 -5.5 15 1017 A A H < S+ 0 0 38 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.887 112.0 45.8 -60.1 -42.1 -5.9 -11.8 -6.6 16 1018 A M H >< S+ 0 0 34 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.911 105.9 57.4 -70.6 -39.7 -3.4 -9.6 -4.9 17 1019 A L H >< S+ 0 0 45 -4,-2.6 3,-1.1 1,-0.3 38,-0.2 0.851 101.5 58.8 -59.6 -33.4 -5.3 -9.1 -1.7 18 1020 A E T 3< S+ 0 0 149 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.460 90.2 73.2 -75.3 0.1 -5.3 -12.8 -1.2 19 1021 A K T < + 0 0 123 -3,-2.2 2,-0.4 -4,-0.1 -1,-0.2 0.384 62.4 120.8 -96.9 3.3 -1.5 -12.9 -1.2 20 1022 A D < - 0 0 8 -3,-1.1 18,-0.2 1,-0.1 -3,-0.0 -0.575 53.0-156.2 -64.4 126.3 -1.1 -11.4 2.2 21 1023 A T + 0 0 67 16,-2.4 11,-0.2 -2,-0.4 -1,-0.1 0.287 50.6 117.5 -93.6 13.6 0.8 -14.1 4.2 22 1024 A G - 0 0 10 15,-0.3 2,-0.4 9,-0.1 9,-0.2 -0.302 58.0-134.8 -78.1 165.1 -0.5 -13.0 7.7 23 1025 A K E -G 30 0C 141 7,-1.9 7,-3.1 2,-0.0 2,-0.4 -0.986 23.8-137.7-120.4 126.9 -2.6 -15.0 10.2 24 1026 A V E +G 29 0C 56 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.685 29.8 163.5 -92.7 135.3 -5.5 -13.1 11.9 25 1027 A S E > S-G 28 0C 99 3,-2.5 3,-1.7 -2,-0.4 2,-0.1 -0.891 73.2 -46.5-140.9 115.3 -6.6 -13.2 15.5 26 1028 A G T 3 S- 0 0 54 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.394 123.1 -22.3 60.8-128.8 -8.9 -10.3 16.5 27 1029 A D T 3 S+ 0 0 104 -3,-0.1 34,-2.5 -2,-0.1 2,-0.4 0.031 118.8 95.6-105.6 29.3 -7.5 -7.1 15.1 28 1030 A T E < -Gh 25 61C 45 -3,-1.7 -3,-2.5 32,-0.2 2,-0.5 -0.970 54.3-161.1-119.5 138.2 -3.9 -8.4 14.8 29 1031 A V E -Gh 24 62C 0 32,-2.8 34,-2.7 -2,-0.4 2,-0.5 -0.975 12.9-158.4-118.3 117.2 -2.3 -9.9 11.7 30 1032 A T E -Gh 23 63C 71 -7,-3.1 -7,-1.9 -2,-0.5 2,-0.2 -0.868 4.9-163.6-107.5 130.7 0.9 -12.0 12.4 31 1033 A Y - 0 0 6 32,-2.9 2,-0.3 -2,-0.5 -9,-0.1 -0.679 7.7-178.8-109.7 156.3 3.6 -12.7 9.8 32 1034 A S + 0 0 93 -2,-0.2 2,-0.1 -11,-0.2 3,-0.1 -0.988 32.2 53.8-154.9 155.2 6.3 -15.4 9.7 33 1035 A G S S- 0 0 51 -2,-0.3 3,-0.1 1,-0.1 36,-0.1 -0.456 88.7 -65.1 108.0 178.8 9.2 -16.5 7.5 34 1036 A K S S+ 0 0 192 1,-0.3 35,-2.7 -2,-0.1 2,-0.4 0.883 125.2 23.6 -72.6 -41.2 12.3 -15.1 5.9 35 1037 A T E S-c 69 0B 60 33,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.996 77.2-163.8-123.4 130.8 10.3 -12.8 3.5 36 1038 A V E -c 70 0B 0 33,-2.8 35,-2.9 -2,-0.4 2,-0.6 -0.842 11.1-140.5-114.1 151.7 6.7 -11.8 4.5 37 1039 A H E -c 71 0B 77 -2,-0.3 -16,-2.4 33,-0.2 2,-0.5 -0.946 14.9-172.3-122.9 106.2 4.1 -10.3 2.1 38 1040 A V E -c 72 0B 2 33,-2.3 35,-2.7 -2,-0.6 2,-0.6 -0.896 2.3-169.3 -96.3 123.5 1.9 -7.5 3.4 39 1041 A V E +c 73 0B 3 -2,-0.5 16,-0.8 33,-0.2 2,-0.3 -0.949 12.3 177.9-120.4 113.0 -1.0 -6.5 1.0 40 1042 A A E -cD 74 54B 0 33,-2.8 35,-2.2 -2,-0.6 2,-0.4 -0.867 9.8-166.8-114.5 145.6 -2.7 -3.4 2.1 41 1043 A A E -cD 75 53B 0 12,-2.4 12,-2.7 -2,-0.3 2,-0.7 -0.968 23.7-123.3-131.7 146.3 -5.5 -1.4 0.4 42 1044 A A E S-cD 76 52B 0 33,-2.2 35,-1.0 -2,-0.4 36,-0.3 -0.841 86.1 -25.2 -87.6 110.0 -6.9 2.1 1.0 43 1045 A V S S- 0 0 11 8,-2.1 -1,-0.2 -2,-0.7 3,-0.1 0.974 72.6-150.9 52.1 75.6 -10.7 1.8 1.8 44 1046 A L > - 0 0 18 -3,-0.3 3,-2.5 1,-0.1 -1,-0.1 -0.438 46.7 -67.5 -61.6 150.2 -11.8 -1.4 0.2 45 1047 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.149 121.9 8.4 -47.1 126.1 -15.5 -1.2 -0.9 46 1048 A G T 3 S+ 0 0 90 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.262 97.4 121.3 85.9 -9.1 -17.8 -1.0 2.1 47 1049 A F S < S- 0 0 56 -3,-2.5 -1,-0.3 1,-0.1 4,-0.1 -0.514 76.3 -78.7 -82.2 156.9 -15.1 -0.6 4.8 48 1050 A P - 0 0 72 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.206 57.6 -98.1 -57.6 134.0 -15.1 2.5 7.0 49 1051 A F S S+ 0 0 104 1,-0.3 3,-0.0 -3,-0.1 97,-0.0 -0.831 102.4 26.7 -90.7 136.1 -13.7 5.7 5.5 50 1052 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.482 95.9 107.4 -92.7 138.0 -10.9 6.5 6.0 51 1053 A S - 0 0 0 95,-0.2 -8,-2.1 -4,-0.1 2,-0.4 -0.992 56.3-120.7-159.7 161.0 -9.0 3.3 6.7 52 1054 A F E -D 42 0B 0 -2,-0.3 7,-3.3 -10,-0.2 2,-0.4 -0.914 23.4-149.9-101.3 142.8 -6.5 0.7 5.5 53 1055 A E E +DE 41 58B 1 -12,-2.7 -12,-2.4 -2,-0.4 2,-0.4 -0.948 16.5 175.8-112.9 137.1 -7.5 -2.9 5.1 54 1056 A V E > S-DE 40 57B 0 3,-2.1 3,-1.8 -2,-0.4 -14,-0.2 -0.988 76.4 -8.9-138.1 123.8 -4.9 -5.7 5.5 55 1057 A H T 3 S- 0 0 73 -16,-0.8 3,-0.1 -2,-0.4 -1,-0.1 0.877 129.7 -58.5 54.6 38.8 -6.0 -9.4 5.3 56 1058 A D T 3 S+ 0 0 113 1,-0.2 2,-0.3 -39,-0.1 -1,-0.3 0.602 114.1 117.1 68.6 15.3 -9.6 -8.1 5.3 57 1059 A K E < -E 54 0B 68 -3,-1.8 -3,-2.1 -30,-0.0 2,-0.6 -0.851 68.6-114.9-112.8 147.9 -9.2 -6.3 8.7 58 1060 A K E S-E 53 0B 103 -2,-0.3 -5,-0.2 1,-0.2 -7,-0.0 -0.715 84.7 -30.6 -84.5 121.0 -9.5 -2.6 9.4 59 1061 A N S S- 0 0 27 -7,-3.3 90,-0.4 -2,-0.6 -1,-0.2 0.840 87.4-175.2 41.3 47.1 -6.2 -0.9 10.5 60 1062 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 -32,-0.2 -0.256 30.8-105.9 -71.0 158.5 -5.0 -4.1 12.2 61 1063 A T E -h 28 0C 35 -34,-2.5 -32,-2.8 87,-0.1 2,-0.5 -0.696 34.4-141.8 -80.8 126.8 -1.8 -4.2 14.1 62 1064 A L E -hi 29 150C 2 87,-2.6 89,-2.9 -2,-0.5 2,-0.7 -0.858 8.2-157.9 -93.7 125.1 0.9 -6.1 12.1 63 1065 A E E +hi 30 151C 47 -34,-2.7 -32,-2.9 -2,-0.5 89,-0.2 -0.893 18.7 178.5-104.7 112.5 3.3 -8.4 14.0 64 1066 A I E - i 0 152C 5 87,-2.7 89,-1.8 -2,-0.7 2,-0.2 -0.938 28.9-116.6-118.3 133.6 6.5 -8.9 12.0 65 1067 A P > - 0 0 42 0, 0.0 3,-2.0 0, 0.0 87,-0.1 -0.504 36.2-106.4 -72.8 137.0 9.5 -11.0 13.0 66 1068 A A T 3 S+ 0 0 50 87,-2.4 62,-0.1 1,-0.3 3,-0.1 -0.281 105.9 27.0 -55.4 138.0 12.7 -9.1 13.5 67 1069 A G T 3 S+ 0 0 74 60,-0.6 -1,-0.3 1,-0.3 2,-0.1 0.260 90.6 129.5 86.8 -8.7 15.1 -9.8 10.6 68 1070 A A < - 0 0 7 -3,-2.0 2,-0.5 59,-0.1 -1,-0.3 -0.409 61.7-121.7 -74.7 147.0 12.4 -10.5 8.0 69 1071 A T E -c 35 0B 32 -35,-2.7 -33,-2.8 -2,-0.1 2,-0.6 -0.786 27.8-150.2 -77.6 130.3 12.3 -8.9 4.6 70 1072 A V E -cF 36 125B 1 55,-2.8 55,-1.7 -2,-0.5 2,-0.7 -0.932 9.9-166.8-111.6 114.0 8.9 -7.2 4.3 71 1073 A D E -cF 37 124B 46 -35,-2.9 -33,-2.3 -2,-0.6 2,-0.5 -0.904 12.9-164.2-101.9 112.6 7.5 -7.0 0.8 72 1074 A V E -cF 38 123B 3 51,-2.8 51,-2.4 -2,-0.7 2,-0.5 -0.872 11.6-169.5-101.4 130.4 4.6 -4.5 0.9 73 1075 A T E -cF 39 122B 20 -35,-2.7 -33,-2.8 -2,-0.5 2,-0.4 -0.976 10.4-167.3-112.4 125.2 2.0 -4.2 -1.9 74 1076 A F E -cF 40 121B 0 47,-2.6 47,-2.1 -2,-0.5 2,-0.4 -0.992 4.7-174.4-121.1 126.8 -0.2 -1.1 -1.6 75 1077 A I E -cF 41 120B 0 -35,-2.2 -33,-2.2 -2,-0.4 2,-0.8 -0.974 16.6-147.4-120.5 129.8 -3.4 -0.7 -3.6 76 1078 A N E +c 42 0B 0 43,-2.6 43,-0.5 -2,-0.4 -33,-0.1 -0.849 27.7 161.0-100.4 105.8 -5.6 2.3 -3.7 77 1079 A T + 0 0 11 -35,-1.0 2,-0.8 -2,-0.8 -1,-0.1 0.322 39.2 109.8 -98.3 4.4 -9.2 1.3 -4.3 78 1080 A N > - 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