==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RUSTICYANIN 02-JUN-00 1E30 . COMPND 2 MOLECULE: RUSTICYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THIOBACILLUS FERROOXIDANS; . AUTHOR M.A.HOUGH,R.W.STRANGE,S.S.HASNAIN . 306 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 27.1 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 . 6 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 . 40 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.2 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 0.7 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 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 8 2 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 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 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 0 124 0, 0.0 2,-0.6 0, 0.0 106,-0.2 0.000 360.0 360.0 360.0 157.0 1.1 -3.6 1.0 2 4 A D B +a 107 0A 25 104,-3.0 106,-2.6 1,-0.1 121,-0.0 -0.659 360.0 162.8 -76.8 120.9 -2.5 -3.0 2.0 3 5 A T + 0 0 96 -2,-0.6 2,-0.7 104,-0.2 -1,-0.1 -0.053 36.8 111.3-128.5 28.6 -3.8 0.1 0.2 4 6 A T - 0 0 93 118,-0.1 2,-0.4 104,-0.0 118,-0.3 -0.916 46.7-170.4-110.9 106.8 -7.5 -0.5 0.6 5 7 A W - 0 0 57 -2,-0.7 2,-0.3 116,-0.1 116,-0.2 -0.852 5.0-163.3-107.1 129.0 -9.1 2.0 2.9 6 8 A K E -B 120 0B 117 114,-3.3 114,-2.3 -2,-0.4 2,-0.3 -0.779 21.2-119.1-104.6 154.9 -12.7 1.8 4.3 7 9 A E E +B 119 0B 129 -2,-0.3 2,-0.3 112,-0.2 112,-0.2 -0.709 29.9 179.0 -94.1 145.1 -14.7 4.7 5.8 8 10 A A E -B 118 0B 0 110,-2.2 110,-2.4 -2,-0.3 2,-0.1 -0.997 22.2-134.8-144.2 141.4 -16.0 4.7 9.3 9 11 A T E > -B 117 0B 46 -2,-0.3 4,-2.6 108,-0.2 3,-0.2 -0.401 43.2 -93.9 -79.6 174.7 -17.9 7.2 11.3 10 12 A L H > S+ 0 0 97 106,-0.5 4,-2.9 1,-0.2 5,-0.2 0.917 126.6 51.2 -58.9 -51.3 -16.8 8.0 14.9 11 13 A P H > S+ 0 0 89 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.884 111.4 49.1 -53.9 -38.7 -19.2 5.5 16.5 12 14 A Q H > S+ 0 0 98 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.924 110.3 51.0 -68.5 -41.5 -17.9 2.8 14.1 13 15 A V H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.918 111.7 47.3 -56.5 -49.1 -14.3 3.7 15.0 14 16 A K H X S+ 0 0 76 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.947 109.3 53.4 -60.6 -48.2 -15.2 3.4 18.7 15 17 A A H < S+ 0 0 61 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.888 112.1 46.3 -52.4 -44.9 -16.9 0.1 18.1 16 18 A M H >< S+ 0 0 37 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.923 107.1 54.5 -68.8 -42.5 -13.8 -1.2 16.4 17 19 A L H >< S+ 0 0 21 -4,-2.7 3,-1.2 1,-0.3 38,-0.2 0.855 104.8 56.9 -60.7 -29.3 -11.2 0.0 18.9 18 20 A E T 3< S+ 0 0 142 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.584 92.7 71.5 -75.6 -10.4 -13.2 -1.9 21.6 19 21 A K T < + 0 0 133 -3,-2.1 -1,-0.2 -4,-0.3 2,-0.2 0.356 64.6 122.6 -83.1 -5.1 -12.8 -5.1 19.5 20 22 A D < - 0 0 9 -3,-1.2 18,-0.2 -4,-0.2 34,-0.0 -0.523 51.7-156.0 -60.1 131.9 -9.1 -5.4 20.4 21 23 A T + 0 0 75 16,-2.2 11,-0.3 -2,-0.2 -1,-0.1 0.289 52.6 108.3 -97.0 6.7 -8.7 -8.8 22.0 22 24 A G - 0 0 7 15,-0.4 2,-0.4 9,-0.1 9,-0.2 -0.366 61.4-133.3 -81.5 164.9 -5.6 -8.2 24.1 23 25 A K E -H 30 0C 131 7,-2.5 7,-2.7 -2,-0.1 2,-0.3 -0.981 23.1-132.0-115.5 127.9 -5.2 -7.8 27.9 24 26 A V E +H 29 0C 53 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.614 29.5 167.3 -85.6 139.9 -3.1 -4.9 29.2 25 27 A S E > S-H 28 0C 84 3,-2.7 3,-2.3 -2,-0.3 2,-0.2 -0.957 70.6 -36.9-142.0 123.3 -0.5 -5.3 31.8 26 28 A G T 3 S- 0 0 61 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.408 125.0 -30.7 63.9-127.9 1.9 -2.4 32.4 27 29 A D T 3 S+ 0 0 100 -2,-0.2 34,-2.4 -3,-0.1 2,-0.4 -0.086 119.9 98.2-113.3 32.7 2.5 -1.0 28.9 28 30 A T E < -Hi 25 61C 28 -3,-2.3 -3,-2.7 32,-0.2 2,-0.6 -0.978 58.9-152.3-126.8 131.3 2.1 -4.3 27.2 29 31 A V E -Hi 24 62C 0 32,-2.9 34,-3.0 -2,-0.4 2,-0.5 -0.956 19.5-157.5-100.5 115.6 -1.0 -5.7 25.4 30 32 A T E -Hi 23 63C 40 -7,-2.7 -7,-2.5 -2,-0.6 2,-0.3 -0.893 5.8-163.8-101.8 124.5 -0.9 -9.5 25.6 31 33 A Y + 0 0 4 32,-3.3 2,-0.3 -2,-0.5 -9,-0.1 -0.751 8.7 179.6-103.3 151.7 -2.9 -11.5 23.1 32 34 A S + 0 0 75 -11,-0.3 2,-0.1 -2,-0.3 3,-0.1 -0.984 33.5 58.2-147.9 155.8 -3.8 -15.2 23.3 33 35 A G S S- 0 0 47 -2,-0.3 3,-0.1 1,-0.1 36,-0.1 -0.392 89.0 -73.0 112.3 167.9 -5.8 -17.7 21.3 34 36 A K S S+ 0 0 181 1,-0.2 35,-2.8 -2,-0.1 2,-0.4 0.837 122.9 31.0 -67.1 -39.2 -5.4 -19.1 17.7 35 37 A T E S-c 69 0B 94 33,-0.2 2,-0.3 -3,-0.1 35,-0.2 -0.993 75.3-173.8-123.3 128.6 -6.7 -15.9 16.1 36 38 A V E -c 70 0B 2 33,-2.5 35,-3.0 -2,-0.4 2,-0.5 -0.915 14.8-143.8-121.6 151.8 -6.1 -12.5 17.8 37 39 A H E -c 71 0B 39 -2,-0.3 -16,-2.2 33,-0.2 2,-0.5 -0.945 10.7-168.7-122.7 108.8 -7.4 -9.1 16.8 38 40 A V E -c 72 0B 2 33,-2.5 35,-2.8 -2,-0.5 2,-0.6 -0.869 4.4-167.2 -91.9 126.7 -5.1 -6.0 17.2 39 41 A V E +c 73 0B 0 -2,-0.5 16,-0.7 33,-0.2 2,-0.4 -0.963 12.6 179.1-118.5 108.8 -7.0 -2.7 16.8 40 42 A A E -cD 74 54B 0 33,-3.1 35,-2.7 -2,-0.6 2,-0.3 -0.901 10.7-167.0-111.6 146.4 -4.7 0.2 16.4 41 43 A A E -cD 75 53B 0 12,-2.5 12,-2.9 -2,-0.4 2,-0.7 -0.924 23.0-126.5-128.9 147.7 -5.4 3.9 15.9 42 44 A A E S-cD 76 52B 0 33,-2.1 35,-0.8 -2,-0.3 10,-0.2 -0.894 86.0 -19.8 -94.6 114.3 -3.1 6.7 14.9 43 45 A V S S- 0 0 12 8,-2.1 -1,-0.2 -2,-0.7 36,-0.2 0.976 71.2-157.7 51.7 79.5 -3.4 9.5 17.5 44 46 A L > - 0 0 12 -3,-0.3 3,-2.1 1,-0.1 -1,-0.1 -0.569 41.9 -80.6 -72.0 151.3 -6.7 9.1 19.4 45 47 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 33,-0.0 -0.177 120.8 28.1 -55.8 133.6 -7.9 12.3 21.0 46 48 A G T 3 S+ 0 0 88 1,-0.4 -2,-0.0 -3,-0.1 -3,-0.0 0.414 102.8 99.8 96.0 -6.5 -6.1 13.0 24.2 47 49 A F S < S- 0 0 52 -3,-2.1 -1,-0.4 1,-0.1 4,-0.1 -0.814 79.0 -94.0-111.5 155.6 -3.0 11.1 23.1 48 50 A P - 0 0 61 0, 0.0 -5,-0.2 0, 0.0 -4,-0.1 -0.299 47.0 -85.7 -74.9 150.3 0.2 12.7 21.8 49 51 A F S S+ 0 0 28 1,-0.3 3,-0.1 -6,-0.1 -7,-0.0 -0.808 105.2 20.3 -95.3 137.1 1.2 13.3 18.2 50 52 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.586 95.4 112.3 -98.0 136.1 2.5 11.3 16.5 51 53 A S - 0 0 2 95,-0.2 -8,-2.1 -4,-0.1 2,-0.4 -0.968 54.9-120.6-153.7 164.1 1.7 7.9 18.2 52 54 A F E -D 42 0B 0 -2,-0.3 7,-3.6 -10,-0.2 2,-0.4 -0.928 21.8-153.1-108.5 139.1 -0.3 4.7 17.9 53 55 A E E +DE 41 58B 1 -12,-2.9 -12,-2.5 -2,-0.4 2,-0.4 -0.950 15.1 175.7-112.9 136.4 -2.9 3.7 20.4 54 56 A V E > S-DE 40 57B 0 3,-2.2 3,-1.6 -2,-0.4 -14,-0.2 -0.992 74.6 -10.0-136.9 122.4 -3.8 0.1 21.0 55 57 A H T 3 S- 0 0 71 -16,-0.7 3,-0.1 -2,-0.4 -1,-0.1 0.897 129.5 -56.5 53.8 41.9 -6.3 -0.9 23.7 56 58 A D T 3 S+ 0 0 118 1,-0.2 2,-0.3 -39,-0.1 -1,-0.3 0.692 114.7 115.3 66.6 19.0 -6.2 2.6 25.1 57 59 A K E < -E 54 0B 64 -3,-1.6 -3,-2.2 -30,-0.0 2,-0.5 -0.900 69.2-115.1-119.2 148.7 -2.4 2.6 25.6 58 60 A K E S-E 53 0B 105 -2,-0.3 -5,-0.2 1,-0.2 -7,-0.0 -0.752 85.9 -28.7 -86.2 120.8 0.2 4.7 23.8 59 61 A N S S- 0 0 39 -7,-3.6 90,-0.4 -2,-0.5 -1,-0.2 0.830 88.4-174.1 41.9 49.8 2.6 2.7 21.6 60 62 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.259 30.2-105.6 -71.3 157.7 2.3 -0.4 23.8 61 63 A T E -i 28 0C 37 -34,-2.4 -32,-2.9 87,-0.1 2,-0.6 -0.711 33.5-143.0 -78.5 133.8 4.3 -3.5 23.2 62 64 A L E -ij 29 150C 1 87,-2.6 89,-2.9 -2,-0.4 2,-0.6 -0.926 9.8-160.6-102.1 124.0 2.1 -6.2 21.7 63 65 A E E +ij 30 151C 57 -34,-3.0 -32,-3.3 -2,-0.6 89,-0.2 -0.922 17.0 179.2-106.1 116.9 2.8 -9.7 22.9 64 66 A I E - j 0 152C 4 87,-2.5 89,-2.0 -2,-0.6 2,-0.2 -0.956 30.7-108.7-121.9 139.8 1.5 -12.3 20.5 65 67 A P > - 0 0 38 0, 0.0 3,-2.0 0, 0.0 -29,-0.1 -0.444 36.8-109.8 -67.5 136.0 1.6 -16.1 20.6 66 68 A A T 3 S+ 0 0 53 87,-2.5 62,-0.1 1,-0.3 3,-0.1 -0.424 107.9 28.5 -63.2 134.8 3.9 -17.8 18.2 67 69 A G T 3 S+ 0 0 74 60,-0.7 -1,-0.3 1,-0.3 2,-0.1 0.291 91.8 132.9 96.2 -9.5 1.7 -19.5 15.7 68 70 A A < - 0 0 3 -3,-2.0 2,-0.6 59,-0.1 -1,-0.3 -0.420 58.7-126.5 -76.5 150.9 -1.2 -17.1 16.0 69 71 A T E -c 35 0B 38 -35,-2.8 -33,-2.5 57,-0.1 2,-0.7 -0.884 28.5-151.1 -90.8 124.3 -3.1 -15.6 13.1 70 72 A V E -cF 36 125B 1 55,-3.1 55,-2.9 -2,-0.6 2,-0.6 -0.914 10.7-166.1-107.2 113.2 -3.0 -11.8 13.7 71 73 A D E -cF 37 124B 60 -35,-3.0 -33,-2.5 -2,-0.7 2,-0.5 -0.888 14.5-165.1 -93.1 113.4 -5.9 -9.8 12.3 72 74 A V E -cF 38 123B 3 51,-3.1 51,-2.5 -2,-0.6 2,-0.5 -0.939 12.3-169.2-104.7 132.4 -4.9 -6.1 12.5 73 75 A T E -cF 39 122B 2 -35,-2.8 -33,-3.1 -2,-0.5 2,-0.5 -0.984 8.8-167.5-114.6 122.2 -7.3 -3.3 12.1 74 76 A F E -cF 40 121B 0 47,-2.5 47,-2.4 -2,-0.5 2,-0.5 -0.975 3.5-171.8-114.5 121.8 -5.5 0.1 11.6 75 77 A I E -cF 41 120B 0 -35,-2.7 -33,-2.1 -2,-0.5 2,-1.1 -0.977 17.8-145.9-116.1 127.0 -7.7 3.2 12.0 76 78 A N E +cF 42 119B 0 43,-3.1 43,-0.6 -2,-0.5 -33,-0.1 -0.791 29.5 162.3 -94.3 101.7 -6.4 6.7 11.2 77 79 A T + 0 0 13 -2,-1.1 2,-1.0 -35,-0.8 -1,-0.1 0.257 38.4 111.2 -96.1 7.7 -8.2 8.9 13.7 78 80 A N > - 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