==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-SEP-12 4HCG . COMPND 2 MOLECULE: CUPREDOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.KIM,N.MALTSEVA,S.SHATSMAN,W.F.ANDERSON,A.JOACHIMIAK,CENTER . 185 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 2 1.1 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 . 31 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0 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 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 34 A L 0 0 227 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -21.8 18.7 16.7 21.1 2 35 A A + 0 0 109 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.409 360.0 165.0 -73.7 139.0 22.2 18.0 22.0 3 36 A Q - 0 0 141 -2,-0.1 3,-0.1 0, 0.0 4,-0.1 -0.953 43.1 -80.0-144.3 161.4 22.7 20.7 24.7 4 37 A P > - 0 0 100 0, 0.0 3,-0.8 0, 0.0 0, 0.0 -0.297 61.8 -84.2 -63.6 150.9 25.7 22.1 26.7 5 38 A I T 3 S+ 0 0 165 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.240 113.5 14.0 -53.1 137.8 26.9 20.1 29.7 6 39 A A T 3 S+ 0 0 94 -3,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.863 76.2 151.0 62.0 43.0 24.9 20.9 32.9 7 40 A S < + 0 0 55 -3,-0.8 -2,-0.1 -4,-0.1 -1,-0.1 0.815 42.2 94.9 -70.9 -33.0 22.0 22.7 31.0 8 41 A A S S- 0 0 25 1,-0.1 25,-0.1 25,-0.1 2,-0.0 -0.368 86.8-111.0 -61.2 135.9 19.4 21.9 33.7 9 42 A K - 0 0 179 23,-0.4 25,-2.4 1,-0.1 2,-0.5 -0.372 32.0-132.0 -64.4 147.7 19.0 24.6 36.3 10 43 A V E -a 34 0A 82 23,-0.2 2,-0.6 -4,-0.1 25,-0.2 -0.914 16.8-166.6-109.8 128.6 20.2 23.7 39.7 11 44 A I E -a 35 0A 50 23,-2.8 25,-2.3 -2,-0.5 2,-0.4 -0.965 16.5-144.2-109.9 121.0 18.3 24.2 42.9 12 45 A E E -a 36 0A 104 -2,-0.6 2,-0.4 23,-0.2 25,-0.2 -0.684 14.9-170.0 -81.6 135.7 20.4 23.8 46.1 13 46 A V E -a 37 0A 0 23,-2.9 25,-2.8 -2,-0.4 2,-0.4 -0.989 10.6-147.9-128.1 124.8 18.7 22.2 49.0 14 47 A E E -aB 38 21A 46 7,-3.2 7,-2.1 -2,-0.4 2,-0.6 -0.721 4.9-160.2 -89.5 132.6 20.3 22.3 52.4 15 48 A L E +aB 39 20A 0 23,-3.3 25,-2.3 -2,-0.4 26,-1.0 -0.975 25.7 159.5-109.0 119.7 19.7 19.4 54.8 16 49 A N E > - B 0 19A 39 3,-2.6 3,-1.7 -2,-0.6 2,-0.8 -0.808 51.0 -48.1-129.7 178.4 20.5 20.3 58.4 17 50 A D T 3 S- 0 0 33 1,-0.3 3,-0.0 -2,-0.3 28,-0.0 -0.783 124.0 -19.9 -89.5 108.1 19.5 19.0 61.8 18 51 A D T 3 S+ 0 0 36 -2,-0.8 -1,-0.3 65,-0.0 2,-0.3 -0.230 120.1 58.7-130.3 79.8 16.6 18.8 61.4 19 52 A Y E < -B 16 0A 108 -3,-1.7 -3,-2.6 69,-0.1 2,-0.4 -0.977 60.1-117.4-153.7 160.4 15.1 20.8 58.6 20 53 A F E -B 15 0A 5 69,-0.3 -5,-0.2 -2,-0.3 3,-0.1 -0.842 29.2-132.8 -97.9 143.1 15.2 21.4 54.8 21 54 A N E S+B 14 0A 86 -7,-2.1 -7,-3.2 -2,-0.4 2,-0.1 -0.896 98.5 24.7-140.7 111.1 16.2 24.9 53.5 22 55 A P S S- 0 0 47 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.539 79.2-172.5 -77.6 161.1 14.4 25.8 51.4 23 56 A N S S+ 0 0 90 1,-0.2 68,-2.2 -2,-0.1 2,-0.4 0.367 73.2 52.1-103.8 4.2 11.4 23.8 52.5 24 57 A V E +d 91 0B 72 66,-0.2 2,-0.4 68,-0.0 68,-0.2 -0.977 67.1 174.8-134.2 123.2 9.2 24.7 49.5 25 58 A I E -d 92 0B 7 66,-2.3 68,-3.0 -2,-0.4 2,-0.5 -0.987 16.5-153.4-130.0 144.6 10.6 24.2 46.0 26 59 A T E +d 93 0B 66 -2,-0.4 68,-0.2 66,-0.2 49,-0.0 -0.955 16.5 179.2-117.4 130.0 8.8 24.7 42.7 27 60 A I E -d 94 0B 3 66,-2.8 68,-1.8 -2,-0.5 2,-0.2 -0.976 30.9-103.6-133.3 146.3 9.9 22.7 39.6 28 61 A P > - 0 0 42 0, 0.0 3,-1.0 0, 0.0 2,-0.1 -0.423 34.4-117.3 -70.9 138.4 8.6 22.7 36.0 29 62 A I T 3 S+ 0 0 46 66,-2.3 42,-0.2 1,-0.2 3,-0.1 -0.398 94.8 10.6 -67.0 146.6 6.5 19.8 34.8 30 63 A N T 3 S+ 0 0 92 40,-3.0 2,-0.3 1,-0.2 -1,-0.2 0.720 110.2 96.5 55.5 25.7 8.0 17.7 31.9 31 64 A E S < S- 0 0 118 -3,-1.0 2,-0.4 39,-0.3 -1,-0.2 -0.961 77.9-107.5-135.2 157.1 11.5 19.3 32.2 32 65 A S - 0 0 60 -2,-0.3 -23,-0.4 37,-0.2 2,-0.4 -0.728 32.1-177.6 -89.5 132.1 14.6 18.2 34.1 33 66 A T E - C 0 68A 8 35,-2.5 35,-2.9 -2,-0.4 2,-0.5 -0.986 18.0-140.8-122.3 135.4 15.7 20.0 37.2 34 67 A T E -aC 10 67A 18 -25,-2.4 -23,-2.8 -2,-0.4 2,-0.6 -0.848 11.0-157.6 -95.4 133.1 18.8 19.2 39.1 35 68 A L E -aC 11 66A 1 31,-3.2 31,-1.9 -2,-0.5 2,-0.8 -0.945 2.8-156.2-109.6 118.0 18.7 19.2 42.9 36 69 A L E -aC 12 65A 22 -25,-2.3 -23,-2.9 -2,-0.6 2,-0.6 -0.856 13.6-159.4 -95.3 106.5 22.0 19.7 44.7 37 70 A L E -aC 13 64A 0 27,-3.2 27,-2.1 -2,-0.8 2,-0.6 -0.771 8.6-172.6 -92.4 117.1 21.4 18.2 48.2 38 71 A K E -aC 14 63A 43 -25,-2.8 -23,-3.3 -2,-0.6 2,-1.1 -0.934 13.8-153.7-115.2 114.7 23.9 19.4 50.8 39 72 A N E +a 15 0A 3 23,-2.6 22,-1.8 -2,-0.6 -23,-0.2 -0.733 24.5 164.6 -87.1 99.5 23.9 17.8 54.2 40 73 A K + 0 0 114 -25,-2.3 -24,-0.2 -2,-1.1 -1,-0.2 0.399 48.7 91.1 -94.4 2.5 25.3 20.5 56.5 41 74 A G S S- 0 0 4 -26,-1.0 20,-0.4 2,-0.2 4,-0.1 -0.244 82.8-118.9 -90.2 179.3 24.1 18.8 59.7 42 75 A K S S+ 0 0 117 18,-0.1 134,-0.4 2,-0.1 2,-0.3 0.485 91.4 71.8 -95.4 -6.8 25.8 16.3 62.0 43 76 A S S S- 0 0 1 133,-0.1 -2,-0.2 16,-0.1 131,-0.2 -0.748 89.4-105.2-105.9 156.5 23.2 13.6 61.3 44 77 A E - 0 0 38 129,-1.9 2,-0.3 -2,-0.3 15,-0.2 -0.523 46.6-175.4 -66.4 144.2 22.4 11.4 58.3 45 78 A H E -E 58 0B 0 13,-1.8 13,-2.5 -2,-0.2 2,-0.3 -0.923 17.5-138.5-136.7 167.0 19.3 12.7 56.5 46 79 A T E -E 57 0B 0 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.898 5.1-149.6-122.2 158.5 17.1 11.6 53.6 47 80 A F E +E 56 0B 0 9,-2.3 9,-2.3 -2,-0.3 2,-0.5 -0.960 34.6 173.9-124.1 104.0 15.5 13.6 50.8 48 81 A T E +EF 55 79B 2 31,-2.3 31,-2.7 -2,-0.5 2,-0.4 -0.964 27.5 173.1-128.3 124.0 12.4 11.6 50.1 49 82 A I E > > -E 54 0B 3 5,-2.1 5,-2.2 -2,-0.5 3,-1.6 -0.846 14.1-171.5-126.0 93.5 9.5 12.4 47.8 50 83 A K G > 5S+ 0 0 138 -2,-0.4 3,-1.4 27,-0.4 -1,-0.1 0.862 80.9 52.3 -58.2 -42.1 7.4 9.2 47.9 51 84 A K G 3 5S+ 0 0 174 26,-0.3 -1,-0.3 1,-0.3 25,-0.0 0.550 112.8 45.9 -76.3 -6.4 5.0 10.1 45.1 52 85 A L G < 5S- 0 0 45 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.254 113.2-117.8-111.1 8.5 7.8 10.9 42.7 53 86 A G T < 5 + 0 0 68 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.2 0.847 65.6 144.8 58.6 36.8 9.8 7.8 43.6 54 87 A I E < +E 49 0B 24 -5,-2.2 -5,-2.1 2,-0.0 2,-0.2 -0.910 14.8 157.1-107.9 129.9 12.7 9.8 45.0 55 88 A D E +E 48 0B 77 -2,-0.5 2,-0.5 -7,-0.2 -7,-0.2 -0.765 8.5 171.1-151.9 107.1 14.7 8.7 48.0 56 89 A V E -E 47 0B 19 -9,-2.3 -9,-2.3 -2,-0.2 2,-0.5 -0.967 17.8-155.8-121.3 128.2 18.2 9.9 48.5 57 90 A V E -E 46 0B 41 -2,-0.5 2,-0.5 -11,-0.2 -11,-0.2 -0.884 13.1-167.4-101.5 129.3 20.3 9.3 51.7 58 91 A V E -E 45 0B 0 -13,-2.5 -13,-1.8 -2,-0.5 3,-0.1 -0.977 14.8-133.1-123.8 126.0 23.0 11.9 52.3 59 92 A E > - 0 0 113 -2,-0.5 3,-2.1 -15,-0.2 -20,-0.3 -0.334 42.6 -81.1 -69.4 149.9 25.8 11.5 54.8 60 93 A S T 3 S+ 0 0 18 1,-0.3 -1,-0.1 -18,-0.2 -20,-0.1 -0.285 116.9 10.0 -51.4 127.3 26.7 14.3 57.2 61 94 A G T 3 S+ 0 0 61 -22,-1.8 -1,-0.3 -20,-0.4 2,-0.2 0.526 110.4 105.6 81.1 5.8 29.0 16.9 55.5 62 95 A K < - 0 0 100 -3,-2.1 -23,-2.6 -23,-0.1 2,-0.3 -0.609 54.6-146.0-111.6 171.6 28.5 15.3 52.1 63 96 A E E -C 38 0A 114 -25,-0.2 2,-0.3 -2,-0.2 -25,-0.2 -0.963 9.5-171.9-137.2 157.2 26.5 16.3 49.0 64 97 A K E -C 37 0A 100 -27,-2.1 -27,-3.2 -2,-0.3 2,-0.4 -0.995 13.8-142.8-145.9 143.3 24.6 14.6 46.2 65 98 A N E +C 36 0A 98 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -0.853 17.7 179.2-101.2 143.1 23.0 15.6 43.0 66 99 A I E -C 35 0A 35 -31,-1.9 -31,-3.2 -2,-0.4 2,-0.5 -0.987 15.3-150.1-139.9 135.5 19.8 14.2 41.7 67 100 A T E -C 34 0A 82 -2,-0.3 2,-0.4 -33,-0.2 -33,-0.2 -0.883 17.4-168.2-105.8 132.0 18.0 15.2 38.5 68 101 A V E -C 33 0A 9 -35,-2.9 -35,-2.5 -2,-0.5 -37,-0.1 -0.936 19.5-173.1-124.6 147.9 14.2 14.9 38.3 69 102 A K - 0 0 123 -2,-0.4 -37,-0.2 -37,-0.2 2,-0.1 -0.767 19.7-161.0-137.1 87.2 11.7 15.1 35.5 70 103 A P - 0 0 7 0, 0.0 -40,-3.0 0, 0.0 -39,-0.3 -0.437 10.6-163.2 -76.9 145.8 8.2 15.0 37.0 71 104 A K + 0 0 159 -42,-0.2 2,-0.4 1,-0.1 -42,-0.1 0.587 67.1 54.8-104.0 -13.2 5.2 14.1 34.7 72 105 A S S S- 0 0 71 2,-0.0 -1,-0.1 23,-0.0 22,-0.1 -0.979 75.9-123.5-131.7 133.5 2.2 15.3 36.8 73 106 A A + 0 0 66 -2,-0.4 2,-0.3 20,-0.1 22,-0.2 -0.298 59.1 93.9 -65.6 149.5 1.3 18.7 38.3 74 107 A G E S- G 0 94B 31 20,-2.1 20,-3.1 2,-0.1 2,-0.6 -0.872 74.5 -76.7 156.0 179.7 0.6 18.8 42.0 75 108 A T E - G 0 93B 88 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.952 47.2-162.4-111.0 119.3 2.1 19.5 45.4 76 109 A Y E - G 0 92B 34 16,-3.5 16,-3.0 -2,-0.6 2,-0.4 -0.783 20.1-113.4-107.3 143.8 4.1 16.6 46.7 77 110 A E E - G 0 91B 96 -2,-0.3 2,-0.5 14,-0.2 -27,-0.4 -0.597 25.9-164.3 -74.1 124.4 5.3 15.8 50.2 78 111 A L E + G 0 90B 0 12,-2.3 12,-2.8 -2,-0.4 2,-0.3 -0.929 20.3 167.1-102.1 131.1 9.0 16.0 50.8 79 112 A I E -FG 48 89B 17 -31,-2.7 -31,-2.3 -2,-0.5 2,-0.6 -0.950 41.9-129.9-136.1 158.4 10.2 14.3 54.0 80 113 A C >> - 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