==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 16-APR-02 1GY2 . COMPND 2 MOLECULE: RUSTICYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THIOBACILLUS FERROOXIDANS; . AUTHOR M.A.HOUGH,L.D.KANBI,S.ANTONYUK,F.DODD,S.HASNAIN . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 26.5 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 . 6 1.9 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 . 42 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 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 . 2 0 4 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 PARALLEL BRIDGES PER LADDER . 2 2 9 1 0 3 1 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 3 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 G 0 0 125 0, 0.0 2,-0.6 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0-177.9 10.1 31.8 69.2 2 2 A T - 0 0 154 2,-0.0 106,-0.2 3,-0.0 2,-0.1 -0.924 360.0-147.5-113.3 140.5 8.2 30.6 72.3 3 3 A L - 0 0 54 -2,-0.6 2,-0.7 1,-0.1 106,-0.2 -0.398 28.4-106.9 -81.8 150.5 6.3 27.4 72.2 4 4 A D B +a 109 0A 30 104,-2.8 106,-2.3 1,-0.1 -1,-0.1 -0.718 46.7 162.6 -76.6 110.0 3.2 27.0 74.3 5 5 A T + 0 0 95 -2,-0.7 2,-0.5 104,-0.2 -1,-0.1 0.172 40.8 100.7-116.7 18.9 4.1 24.7 77.2 6 6 A T - 0 0 104 118,-0.1 2,-0.3 104,-0.0 118,-0.2 -0.907 50.5-173.3-112.8 131.1 1.1 25.5 79.6 7 7 A W - 0 0 47 -2,-0.5 2,-0.2 116,-0.1 116,-0.2 -0.889 16.7-157.2-129.4 146.5 -1.8 23.1 79.8 8 8 A K E -B 122 0B 122 114,-3.1 114,-2.3 -2,-0.3 2,-0.4 -0.642 24.8-118.6-107.5 173.4 -5.2 22.8 81.4 9 9 A E E +B 121 0B 90 112,-0.2 2,-0.4 -2,-0.2 112,-0.2 -0.948 26.3 179.6-121.2 139.9 -7.1 19.6 82.2 10 10 A A E -B 120 0B 1 110,-2.0 110,-3.2 -2,-0.4 2,-0.1 -0.990 23.2-131.4-137.6 138.4 -10.5 18.4 80.9 11 11 A T E > -B 119 0B 60 -2,-0.4 4,-2.2 108,-0.2 3,-0.4 -0.371 45.0 -92.3 -76.4 172.7 -12.5 15.3 81.6 12 12 A L H > S+ 0 0 74 106,-0.5 4,-2.7 1,-0.2 5,-0.1 0.876 124.8 50.0 -57.4 -47.5 -13.9 13.5 78.6 13 13 A P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.860 111.3 51.1 -61.7 -33.5 -17.2 15.2 78.2 14 14 A Q H > S+ 0 0 83 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.892 108.7 52.4 -66.9 -40.3 -15.4 18.6 78.4 15 15 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.952 109.1 49.5 -58.9 -46.9 -13.1 17.3 75.7 16 16 A K H X S+ 0 0 118 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.914 109.0 51.2 -62.2 -43.1 -16.1 16.4 73.6 17 17 A A H < S+ 0 0 44 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.924 111.8 48.4 -57.6 -45.3 -17.7 19.9 74.1 18 18 A M H >< S+ 0 0 31 -4,-2.4 3,-1.9 1,-0.2 4,-0.3 0.914 105.8 55.8 -63.6 -43.0 -14.5 21.5 73.0 19 19 A L H >< S+ 0 0 31 -4,-2.6 3,-1.3 1,-0.3 38,-0.2 0.873 102.4 58.5 -57.0 -36.1 -14.1 19.3 69.9 20 20 A E T 3< S+ 0 0 156 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.587 91.6 71.7 -70.5 -11.8 -17.6 20.5 68.8 21 21 A K T < + 0 0 133 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.543 64.5 118.7 -83.0 -7.6 -16.3 24.2 68.9 22 22 A D < - 0 0 6 -3,-1.3 18,-0.2 -4,-0.3 34,-0.0 -0.434 55.2-154.5 -60.4 129.0 -14.2 23.7 65.8 23 23 A T + 0 0 71 16,-2.2 11,-0.3 -2,-0.1 -1,-0.1 0.276 52.1 114.2 -95.1 12.6 -15.7 26.2 63.3 24 24 A G - 0 0 4 15,-0.4 2,-0.5 9,-0.1 9,-0.2 -0.316 62.4-127.6 -85.1 163.2 -14.6 24.4 60.1 25 25 A K E -H 32 0C 133 7,-2.4 7,-2.6 -2,-0.1 2,-0.4 -0.957 25.0-134.4-109.5 124.3 -16.7 22.8 57.4 26 26 A V E +H 31 0C 59 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.638 28.2 168.9 -84.2 131.9 -15.9 19.2 56.5 27 27 A S E > -H 30 0C 85 3,-2.9 3,-1.8 -2,-0.4 2,-0.1 -0.870 66.2 -56.5-137.7 103.3 -15.6 18.1 52.9 28 28 A G T 3 S- 0 0 52 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.459 123.0 -16.9 67.1-131.6 -14.1 14.7 52.4 29 29 A D T 3 S+ 0 0 111 -2,-0.1 34,-2.1 -3,-0.1 2,-0.3 0.058 123.1 90.9 -92.3 26.1 -10.7 14.8 54.0 30 30 A T E < -Hi 27 63C 41 -3,-1.8 -3,-2.9 32,-0.2 2,-0.5 -0.913 55.5-159.4-123.4 146.1 -10.6 18.6 54.2 31 31 A V E -Hi 26 64C 0 32,-2.9 34,-3.0 -2,-0.3 2,-0.5 -0.984 15.2-161.3-124.5 119.3 -11.8 21.1 56.8 32 32 A T E -Hi 25 65C 60 -7,-2.6 -7,-2.4 -2,-0.5 2,-0.3 -0.886 2.5-163.2-108.3 130.1 -12.4 24.7 55.5 33 33 A Y - 0 0 6 32,-3.0 2,-0.3 -2,-0.5 -9,-0.1 -0.820 6.2-172.5-110.2 147.2 -12.5 27.7 57.8 34 34 A S + 0 0 83 -2,-0.3 3,-0.2 -11,-0.3 2,-0.1 -0.974 37.1 48.2-137.5 154.0 -14.0 31.1 56.9 35 35 A G S S- 0 0 47 -2,-0.3 3,-0.1 1,-0.1 36,-0.0 -0.350 88.8 -71.4 107.7 171.7 -14.1 34.5 58.7 36 36 A K S S+ 0 0 178 1,-0.2 35,-3.0 34,-0.1 2,-0.4 0.792 121.6 33.6 -71.9 -32.1 -11.7 36.9 60.4 37 37 A T E S-c 71 0B 78 33,-0.2 2,-0.3 -3,-0.2 -1,-0.2 -0.998 74.1-176.9-129.8 127.5 -11.3 34.7 63.4 38 38 A V E -c 72 0B 0 33,-2.3 35,-2.6 -2,-0.4 2,-0.5 -0.910 17.5-141.2-126.9 151.8 -11.4 30.8 63.1 39 39 A H E -c 73 0B 50 -2,-0.3 -16,-2.2 33,-0.2 2,-0.5 -0.947 12.4-169.8-120.3 111.5 -11.3 28.1 65.8 40 40 A V E -c 74 0B 2 33,-2.6 35,-2.8 -2,-0.5 2,-0.5 -0.874 3.0-170.5 -96.8 125.3 -9.3 25.0 65.1 41 41 A V E +c 75 0B 1 -2,-0.5 16,-0.8 33,-0.2 2,-0.3 -0.954 11.8 176.7-119.5 110.9 -9.9 22.2 67.7 42 42 A A E -cD 76 56B 0 33,-2.7 35,-2.6 -2,-0.5 2,-0.4 -0.873 11.5-166.4-115.9 145.1 -7.5 19.2 67.2 43 43 A A E -cD 77 55B 0 12,-2.2 12,-3.2 -2,-0.3 2,-0.8 -0.988 23.3-125.0-130.5 140.7 -7.0 16.1 69.3 44 44 A A E S-cD 78 54B 0 33,-2.3 35,-1.1 -2,-0.4 36,-0.3 -0.782 86.3 -19.9 -86.3 112.8 -4.2 13.6 69.3 45 45 A V S S- 0 0 10 8,-2.6 -1,-0.2 -2,-0.8 36,-0.2 0.975 71.8-152.9 53.8 72.1 -5.7 10.1 68.7 46 46 A L > - 0 0 19 -3,-0.4 3,-2.2 1,-0.1 -1,-0.1 -0.435 41.0 -83.9 -60.3 145.9 -9.4 10.3 69.6 47 47 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 33,-0.0 -0.321 119.4 27.3 -54.5 132.9 -10.6 6.8 70.7 48 48 A G T 3 S+ 0 0 90 1,-0.4 -2,-0.1 -3,-0.1 -3,-0.0 0.111 100.9 105.8 98.4 -17.2 -11.5 4.7 67.7 49 49 A F S < S- 0 0 58 -3,-2.2 -1,-0.4 1,-0.1 4,-0.1 -0.625 78.8 -92.4 -96.2 155.1 -9.1 6.5 65.4 50 50 A P - 0 0 74 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.284 49.5 -88.1 -66.9 145.8 -5.8 5.1 64.2 51 51 A F S S+ 0 0 28 1,-0.3 3,-0.0 250,-0.1 97,-0.0 -0.846 106.1 25.2 -95.4 132.1 -2.5 5.6 65.9 52 52 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.459 92.6 110.4-105.0 135.8 -0.9 7.9 65.3 53 53 A S - 0 0 2 95,-0.2 -8,-2.6 -3,-0.1 2,-0.4 -0.989 52.6-126.4-151.7 158.9 -3.2 10.6 64.0 54 54 A F E -D 44 0B 0 -2,-0.3 7,-3.2 -10,-0.2 2,-0.4 -0.911 23.3-148.9-102.1 139.1 -4.7 14.0 64.8 55 55 A E E +DE 43 60B 1 -12,-3.2 -12,-2.2 -2,-0.4 2,-0.4 -0.912 17.0 176.6-107.3 134.5 -8.5 14.4 64.6 56 56 A V E > S-DE 42 59B 0 3,-2.1 3,-1.6 -2,-0.4 -14,-0.2 -0.988 76.6 -10.6-135.4 123.1 -10.0 17.8 63.6 57 57 A H T 3 S- 0 0 72 -16,-0.8 3,-0.1 -2,-0.4 -1,-0.1 0.870 129.8 -56.7 53.6 40.9 -13.8 18.1 63.3 58 58 A D T 3 S+ 0 0 116 1,-0.2 2,-0.3 -39,-0.0 -1,-0.3 0.592 114.1 113.7 70.3 15.4 -14.0 14.3 63.5 59 59 A K E < -E 56 0B 67 -3,-1.6 -3,-2.1 -30,-0.0 2,-0.4 -0.906 69.0-111.3-118.7 151.3 -11.7 13.6 60.5 60 60 A K E S-E 55 0B 99 -2,-0.3 -5,-0.2 1,-0.2 -7,-0.0 -0.638 83.6 -31.1 -85.7 124.0 -8.2 12.0 60.5 61 61 A N S S- 0 0 34 -7,-3.2 90,-0.4 -2,-0.4 -1,-0.2 0.819 87.6-173.0 36.7 52.0 -5.3 14.2 59.6 62 62 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 -32,-0.2 -0.293 30.1-106.9 -76.2 155.8 -7.3 16.5 57.4 63 63 A T E -i 30 0C 34 -34,-2.1 -32,-2.9 87,-0.1 2,-0.5 -0.684 35.3-145.8 -77.4 124.6 -6.1 19.3 55.2 64 64 A L E -ij 31 152C 1 87,-2.5 89,-3.2 -2,-0.5 2,-0.6 -0.821 6.4-157.0 -96.7 126.9 -7.1 22.6 56.9 65 65 A E E +ij 32 153C 50 -34,-3.0 -32,-3.0 -2,-0.5 89,-0.2 -0.931 19.2 178.6-107.3 115.5 -8.0 25.4 54.6 66 66 A I E - j 0 154C 6 87,-2.4 89,-2.1 -2,-0.6 2,-0.2 -0.929 29.8-111.9-122.8 139.2 -7.6 28.8 56.3 67 67 A P > - 0 0 34 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.476 37.5-108.2 -72.3 136.4 -8.1 32.3 55.0 68 68 A A T 3 S+ 0 0 50 87,-2.5 62,-0.2 1,-0.2 3,-0.1 -0.443 104.9 22.5 -61.1 134.2 -5.0 34.4 54.7 69 69 A G T 3 S+ 0 0 66 60,-1.5 -1,-0.2 1,-0.3 61,-0.1 0.362 90.9 136.0 88.8 -4.5 -4.9 37.1 57.4 70 70 A A < - 0 0 3 -3,-1.8 2,-0.7 59,-0.1 -1,-0.3 -0.359 60.7-119.6 -73.4 152.1 -7.3 35.3 59.8 71 71 A T E -c 37 0B 44 -35,-3.0 -33,-2.3 57,-0.1 2,-0.7 -0.871 32.4-153.2 -86.9 118.8 -6.6 35.1 63.5 72 72 A V E -cF 38 127B 0 55,-3.1 55,-2.5 -2,-0.7 2,-0.7 -0.859 10.3-166.5-102.6 114.0 -6.3 31.4 64.1 73 73 A D E -cF 39 126B 54 -35,-2.6 -33,-2.6 -2,-0.7 2,-0.5 -0.866 12.3-165.4 -94.7 118.5 -7.2 30.1 67.6 74 74 A V E -cF 40 125B 4 51,-3.2 51,-2.5 -2,-0.7 2,-0.5 -0.917 12.2-169.1-109.5 129.5 -6.0 26.6 68.0 75 75 A T E -cF 41 124B 5 -35,-2.8 -33,-2.7 -2,-0.5 2,-0.5 -0.991 11.2-167.5-109.4 122.4 -7.1 24.3 70.8 76 76 A F E -cF 42 123B 0 47,-2.6 47,-2.0 -2,-0.5 2,-0.4 -0.964 4.5-174.6-115.6 125.0 -5.0 21.2 71.0 77 77 A I E -cF 43 122B 0 -35,-2.6 -33,-2.3 -2,-0.5 2,-0.8 -0.967 16.9-147.6-118.2 132.9 -6.1 18.3 73.2 78 78 A N E +c 44 0B 0 43,-2.6 43,-0.4 -2,-0.4 -33,-0.1 -0.864 27.5 161.3-102.2 105.9 -4.1 15.1 73.8 79 79 A T + 0 0 7 -35,-1.1 2,-0.8 -2,-0.8 -1,-0.1 0.264 39.0 110.9-101.9 10.8 -6.6 12.2 74.3 80 80 A N > - 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