==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METALLOPROTEIN 10-APR-96 1RCY . COMPND 2 MOLECULE: RUSTICYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS; . AUTHOR R.L.WALTER,A.M.FRIEDMAN,S.E.EALICK,R.C.BLAKE II,P.PROCTOR, . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 25.2 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 . 16 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 5.3 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 . 0 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 4 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 5 A T 0 0 108 0, 0.0 2,-0.7 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0-176.7 -13.5 3.3 25.0 2 6 A T - 0 0 114 118,-0.2 118,-0.4 0, 0.0 2,-0.3 -0.836 360.0-165.3 -95.9 115.9 -12.6 0.9 27.9 3 7 A W - 0 0 60 -2,-0.7 2,-0.3 116,-0.1 116,-0.2 -0.742 4.6-166.4-102.8 146.4 -8.9 0.1 28.2 4 8 A K E -A 118 0A 119 114,-2.9 114,-2.3 -2,-0.3 2,-0.4 -0.788 19.0-120.3-121.7 166.6 -7.3 -2.6 30.2 5 9 A E E -A 117 0A 81 -2,-0.3 2,-0.3 112,-0.2 112,-0.2 -0.896 24.8-175.1-115.4 141.6 -3.7 -3.2 31.2 6 10 A A E -A 116 0A 0 110,-2.2 110,-2.7 -2,-0.4 2,-0.1 -0.976 19.8-130.4-135.6 146.0 -1.5 -6.2 30.4 7 11 A T > - 0 0 53 -2,-0.3 4,-2.2 108,-0.2 3,-0.3 -0.415 41.1 -95.4 -83.8 171.2 2.0 -7.2 31.4 8 12 A L H > S+ 0 0 83 106,-0.4 4,-2.4 1,-0.2 5,-0.2 0.915 124.8 50.2 -57.0 -49.8 4.5 -8.3 28.7 9 13 A P H > S+ 0 0 88 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.882 111.3 51.6 -58.7 -32.5 3.9 -12.0 29.1 10 14 A Q H > S+ 0 0 94 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.900 107.2 51.7 -68.4 -41.6 0.2 -11.3 28.7 11 15 A V H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.938 109.6 50.1 -59.8 -47.0 0.8 -9.3 25.6 12 16 A K H X S+ 0 0 108 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.877 110.0 50.9 -57.2 -43.8 2.8 -12.2 24.1 13 17 A A H < S+ 0 0 38 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.880 111.3 47.3 -63.6 -41.2 -0.0 -14.6 25.0 14 18 A M H >< S+ 0 0 36 -4,-2.1 3,-2.4 1,-0.2 -2,-0.2 0.901 103.4 61.1 -69.8 -40.4 -2.7 -12.5 23.3 15 19 A L H >< S+ 0 0 36 -4,-2.4 3,-1.0 1,-0.3 38,-0.2 0.840 101.1 55.1 -55.7 -34.5 -0.7 -11.9 20.1 16 20 A E T 3< S+ 0 0 143 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.488 90.5 76.8 -80.5 1.3 -0.7 -15.6 19.4 17 21 A K T < + 0 0 119 -3,-2.4 2,-0.5 -4,-0.1 -1,-0.2 0.390 62.1 114.5 -89.9 0.5 -4.6 -15.7 19.7 18 22 A D < - 0 0 6 -3,-1.0 18,-0.2 -4,-0.2 16,-0.0 -0.618 53.7-160.1 -70.3 121.4 -5.0 -14.2 16.2 19 23 A D + 0 0 62 16,-1.8 11,-0.4 -2,-0.5 2,-0.2 0.067 48.4 112.5 -99.2 32.7 -6.6 -17.0 14.2 20 24 A G - 0 0 0 15,-0.3 2,-0.5 9,-0.1 9,-0.2 -0.497 61.8-128.7 -93.8 166.5 -5.9 -15.9 10.7 21 25 A K E -F 28 0B 154 7,-2.2 7,-2.9 -2,-0.2 2,-0.2 -0.975 22.7-134.2-117.8 126.9 -3.5 -17.7 8.3 22 26 A V E +F 27 0B 63 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.574 26.6 170.6 -86.3 144.4 -0.8 -15.7 6.6 23 27 A S E > -F 26 0B 85 3,-2.6 3,-1.2 -2,-0.2 2,-0.2 -0.860 68.7 -46.6-150.2 107.2 0.0 -15.9 2.9 24 28 A G T 3 S- 0 0 61 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 -0.480 125.4 -20.6 65.7-125.9 2.4 -13.3 1.6 25 29 A D T 3 S+ 0 0 113 -2,-0.2 34,-2.4 -3,-0.1 2,-0.4 -0.155 122.5 93.4-106.4 38.5 1.3 -9.9 3.0 26 30 A T E < -Fg 23 59B 38 -3,-1.2 -3,-2.6 32,-0.2 2,-0.5 -0.975 56.3-157.8-134.2 141.9 -2.3 -11.2 3.6 27 31 A V E -Fg 22 60B 0 32,-2.6 34,-2.9 -2,-0.4 2,-0.5 -0.990 15.3-159.2-120.0 119.8 -4.0 -12.8 6.7 28 32 A T E -Fg 21 61B 58 -7,-2.9 -7,-2.2 -2,-0.5 2,-0.3 -0.904 4.6-163.6-105.4 127.1 -7.0 -14.9 5.9 29 33 A Y - 0 0 6 32,-2.6 2,-0.3 -2,-0.5 -9,-0.1 -0.735 7.8-176.9-106.7 154.0 -9.6 -15.6 8.6 30 34 A S + 0 0 93 -11,-0.4 2,-0.1 -2,-0.3 3,-0.1 -0.984 32.8 49.7-147.8 156.0 -12.3 -18.3 8.5 31 35 A G S S- 0 0 52 -2,-0.3 3,-0.1 1,-0.1 36,-0.1 -0.434 89.9 -62.9 109.3 176.6 -15.2 -19.5 10.6 32 36 A K S S+ 0 0 81 1,-0.2 35,-2.7 -2,-0.1 2,-0.4 0.914 123.5 26.2 -67.9 -47.1 -18.3 -18.1 12.4 33 37 A T E S-b 67 0A 60 33,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.978 74.7-165.9-122.3 130.0 -16.3 -15.9 14.7 34 38 A V E -b 68 0A 0 33,-2.6 35,-3.0 -2,-0.4 2,-0.6 -0.884 10.1-144.6-116.1 148.0 -12.8 -14.7 13.9 35 39 A H E -b 69 0A 70 -2,-0.3 -16,-1.8 33,-0.2 2,-0.5 -0.945 12.6-173.2-118.8 111.8 -10.3 -13.1 16.2 36 40 A V E -b 70 0A 2 33,-2.6 35,-2.7 -2,-0.6 2,-0.5 -0.894 2.0-170.8-101.6 126.8 -8.0 -10.4 15.0 37 41 A V E -b 71 0A 4 -2,-0.5 16,-0.7 33,-0.2 2,-0.3 -0.961 11.9-179.8-122.0 107.4 -5.2 -9.3 17.5 38 42 A A E -bC 72 52A 0 33,-3.0 35,-2.6 -2,-0.5 2,-0.3 -0.852 8.8-165.6-110.2 148.4 -3.4 -6.2 16.3 39 43 A A E -bC 73 51A 0 12,-2.2 12,-2.8 -2,-0.3 2,-0.7 -0.968 22.0-123.6-132.5 146.2 -0.6 -4.3 17.9 40 44 A A E S-bC 74 50A 0 33,-2.1 35,-0.9 -2,-0.3 36,-0.3 -0.836 83.7 -24.4 -94.0 116.4 0.9 -0.8 17.3 41 45 A V S S- 0 0 10 8,-2.5 -1,-0.2 -2,-0.7 9,-0.1 0.949 71.1-151.3 46.4 80.5 4.6 -0.9 16.6 42 46 A L > - 0 0 16 -3,-0.3 3,-2.4 1,-0.1 -1,-0.1 -0.496 42.9 -77.5 -71.5 148.4 5.9 -4.2 18.1 43 47 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 33,-0.0 -0.199 121.0 20.9 -49.1 132.0 9.6 -3.8 19.1 44 48 A G T 3 S+ 0 0 88 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.219 99.6 109.6 94.1 -18.5 11.8 -4.1 16.0 45 49 A F S < S- 0 0 61 -3,-2.4 -1,-0.3 1,-0.1 4,-0.1 -0.526 78.5 -83.7 -88.6 161.3 9.1 -3.2 13.5 46 50 A P - 0 0 68 0, 0.0 3,-0.2 0, 0.0 -5,-0.1 -0.231 53.3 -92.3 -63.5 149.3 9.0 0.0 11.5 47 51 A F S S+ 0 0 107 1,-0.3 3,-0.0 -6,-0.1 97,-0.0 -0.925 103.5 22.5-110.0 129.6 7.5 3.2 13.0 48 52 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.566 94.9 108.8-104.8 142.2 4.7 3.9 12.5 49 53 A S - 0 0 0 -3,-0.2 -8,-2.5 95,-0.2 2,-0.4 -0.984 54.3-117.2-160.5 167.2 2.8 0.6 11.7 50 54 A F E -C 40 0A 0 -2,-0.3 7,-3.2 -10,-0.2 2,-0.5 -0.861 22.5-152.1-108.8 143.0 0.4 -2.0 12.8 51 55 A E E +CD 39 56A 1 -12,-2.8 -12,-2.2 -2,-0.4 2,-0.4 -0.980 15.0 176.4-120.2 128.4 1.3 -5.7 13.3 52 56 A V E > S-CD 38 55A 0 3,-2.2 3,-1.4 -2,-0.5 -14,-0.2 -0.988 76.8 -10.7-131.7 121.2 -1.2 -8.5 12.8 53 57 A H T 3 S- 0 0 67 -16,-0.7 -1,-0.1 -2,-0.4 3,-0.1 0.887 129.9 -56.1 56.0 41.7 -0.1 -12.1 13.1 54 58 A D T 3 S+ 0 0 120 1,-0.2 2,-0.3 -39,-0.0 -1,-0.3 0.572 114.5 117.2 68.9 13.5 3.6 -10.9 13.1 55 59 A K E < -D 52 0A 48 -3,-1.4 -3,-2.2 3,-0.0 2,-0.5 -0.873 68.4-116.2-114.1 145.6 3.1 -9.1 9.8 56 60 A K E S-D 51 0A 101 -2,-0.3 -5,-0.2 1,-0.2 -7,-0.0 -0.696 84.7 -30.1 -83.7 120.1 3.4 -5.4 9.1 57 61 A N S S- 0 0 32 -7,-3.2 90,-0.3 -2,-0.5 -1,-0.2 0.825 86.6-174.1 41.2 50.9 0.2 -3.7 7.9 58 62 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.303 30.1-107.6 -74.1 155.3 -1.1 -6.9 6.2 59 63 A T E -g 26 0B 36 -34,-2.4 -32,-2.6 87,-0.1 2,-0.5 -0.704 35.4-144.2 -79.7 127.1 -4.3 -7.0 4.2 60 64 A L E -gh 27 148B 2 87,-2.7 89,-3.1 -2,-0.4 2,-0.6 -0.843 8.0-157.3 -97.8 132.0 -7.0 -8.8 6.2 61 65 A E E -gh 28 149B 79 -34,-2.9 -32,-2.6 -2,-0.5 89,-0.2 -0.941 15.9-179.7-112.1 115.1 -9.4 -11.1 4.4 62 66 A I E - h 0 150B 5 87,-2.6 89,-1.6 -2,-0.6 2,-0.2 -0.931 29.2-118.2-118.9 134.3 -12.6 -11.7 6.3 63 67 A P > - 0 0 38 0, 0.0 3,-1.7 0, 0.0 87,-0.1 -0.501 39.0-108.1 -70.3 133.2 -15.6 -13.8 5.3 64 68 A A T 3 S+ 0 0 49 1,-0.2 62,-0.1 -2,-0.2 3,-0.1 -0.359 103.8 27.0 -59.8 137.8 -18.8 -11.7 4.9 65 69 A G T 3 S+ 0 0 70 60,-0.8 -1,-0.2 1,-0.3 61,-0.1 0.170 90.1 126.6 95.6 -19.6 -21.3 -12.4 7.8 66 70 A A < - 0 0 6 -3,-1.7 2,-0.6 1,-0.1 -1,-0.3 -0.324 65.3-117.0 -71.9 153.0 -18.6 -13.5 10.3 67 71 A T E -b 33 0A 38 -35,-2.7 -33,-2.6 57,-0.1 2,-0.6 -0.855 30.2-148.9 -90.8 121.8 -18.5 -11.9 13.7 68 72 A V E -bE 34 123A 1 55,-3.0 55,-1.8 -2,-0.6 2,-0.7 -0.855 10.3-165.8-100.0 117.2 -15.1 -10.1 14.0 69 73 A D E -bE 35 122A 45 -35,-3.0 -33,-2.6 -2,-0.6 2,-0.4 -0.908 12.5-165.7-101.7 111.4 -13.6 -9.9 17.5 70 74 A V E -bE 36 121A 4 51,-3.0 51,-2.3 -2,-0.7 2,-0.5 -0.851 10.7-170.8-103.9 132.3 -10.8 -7.3 17.4 71 75 A T E -bE 37 120A 17 -35,-2.7 -33,-3.0 -2,-0.4 2,-0.5 -0.989 8.8-166.1-120.0 122.8 -8.2 -7.0 20.2 72 76 A F E -bE 38 119A 0 47,-2.6 47,-1.9 -2,-0.5 2,-0.4 -0.969 5.2-175.0-116.0 127.5 -5.9 -3.9 19.9 73 77 A I E -bE 39 118A 0 -35,-2.6 -33,-2.1 -2,-0.5 2,-0.9 -0.972 16.2-150.1-123.7 124.9 -2.7 -3.6 22.0 74 78 A N E +b 40 0A 0 43,-2.2 43,-0.5 -2,-0.4 -33,-0.1 -0.820 26.1 163.1 -96.1 103.6 -0.5 -0.5 22.0 75 79 A T + 0 0 15 -2,-0.9 2,-0.7 -35,-0.9 -1,-0.1 0.385 41.3 106.9 -99.6 4.4 3.0 -1.7 22.7 76 80 A N > - 0 0 23 -36,-0.3 3,-1.4 3,-0.1 5,-0.2 -0.735 67.4-133.9 -93.2 111.6 4.7 1.6 21.5 77 81 A K T 3 S+ 0 0 172 -2,-0.7 3,-0.1 1,-0.2 -2,-0.1 -0.335 84.6 16.5 -63.2 137.3 6.2 3.7 24.3 78 82 A G T 3 S+ 0 0 57 33,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.358 108.7 84.3 85.8 -6.2 5.4 7.4 24.1 79 83 A F < - 0 0 84 -3,-1.4 2,-0.5 30,-0.1 -3,-0.1 -0.972 60.3-150.0-133.0 146.5 2.5 7.3 21.7 80 84 A G - 0 0 14 -2,-0.3 28,-0.5 30,-0.1 30,-0.1 -0.523 30.0-176.9-111.7 65.3 -1.2 6.7 22.0 81 85 A H - 0 0 0 -2,-0.5 27,-1.6 26,-0.2 2,-0.3 -0.050 10.8-146.4 -57.0 160.7 -2.0 5.1 18.6 82 86 A S - 0 0 0 25,-0.2 2,-0.4 2,-0.1 25,-0.1 -0.829 9.4-143.3-126.5 163.3 -5.6 4.2 17.7 83 87 A F + 0 0 2 23,-0.4 22,-1.2 -2,-0.3 2,-0.4 -0.905 33.4 166.9-129.0 95.6 -7.1 1.4 15.5 84 88 A D E -IJ 104 133B 5 49,-2.5 49,-2.8 -2,-0.4 2,-0.5 -0.954 26.6-142.2-118.0 135.7 -10.1 2.9 13.7 85 89 A I E +IJ 103 132B 1 18,-3.3 17,-2.2 -2,-0.4 18,-0.9 -0.833 29.7 160.4 -99.8 130.5 -11.9 1.3 10.8 86 90 A T E - J 0 131B 2 45,-2.6 45,-2.6 -2,-0.5 15,-0.1 -0.890 45.7-132.8-140.8 166.7 -13.2 3.4 7.9 87 91 A K S S+ 0 0 115 13,-0.4 2,-0.4 11,-0.3 12,-0.1 0.609 79.2 103.0 -95.5 -15.2 -14.3 3.1 4.3 88 92 A K - 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