==== 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 30-SEP-12 4HCI . COMPND 2 MOLECULE: CUPREDOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.KIM,N.MALTSEVA,S.SHATSMAN,W.F.ANDERSON,A.JOACHIMIAK,CENTER . 179 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 29.1 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 . 30 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.8 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 0 1 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 43 A K 0 0 228 0, 0.0 25,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.5 36.0 17.3 -2.3 2 44 A V - 0 0 75 23,-0.1 2,-0.6 1,-0.1 25,-0.2 -0.285 360.0-139.9 -59.9 140.6 32.3 17.9 -2.9 3 45 A I E -a 27 0A 49 23,-2.7 25,-2.3 2,-0.0 2,-0.3 -0.940 14.4-142.9-104.6 119.5 29.9 15.5 -1.3 4 46 A E E -a 28 0A 103 -2,-0.6 2,-0.4 23,-0.2 25,-0.2 -0.627 16.1-172.2 -79.8 135.4 27.0 14.6 -3.5 5 47 A V E -a 29 0A 0 23,-2.9 25,-2.6 -2,-0.3 2,-0.4 -0.969 11.9-148.7-128.8 116.8 23.6 14.1 -1.8 6 48 A E E -aB 30 13A 34 7,-3.5 7,-2.5 -2,-0.4 2,-0.5 -0.697 6.9-162.2 -80.9 130.0 20.7 12.7 -3.8 7 49 A L E +aB 31 12A 0 23,-3.3 25,-2.9 -2,-0.4 26,-0.7 -0.971 26.2 153.4-106.1 128.8 17.2 13.9 -2.7 8 50 A N E > - B 0 11A 31 3,-2.4 3,-1.4 -2,-0.5 2,-0.8 -0.815 49.9 -41.6-142.2-177.6 14.5 11.7 -4.1 9 51 A D T 3 S- 0 0 51 1,-0.4 3,-0.0 -2,-0.2 28,-0.0 -0.826 124.8 -21.5 -95.0 107.5 10.9 10.7 -3.2 10 52 A D T 3 S+ 0 0 40 -2,-0.8 -1,-0.4 65,-0.1 2,-0.3 -0.204 120.7 59.0-129.7 83.7 11.1 10.3 -0.3 11 53 A Y E < -B 8 0A 106 -3,-1.4 -3,-2.4 69,-0.2 2,-0.4 -0.980 59.7-117.4-156.3 160.5 14.7 9.8 0.9 12 54 A F E -B 7 0A 5 69,-0.4 -5,-0.2 -2,-0.3 3,-0.2 -0.873 31.0-131.8-102.4 143.0 18.2 11.1 1.1 13 55 A N E S+B 6 0A 89 -7,-2.5 -7,-3.5 -2,-0.4 2,-0.2 -0.902 99.8 20.8-140.2 107.4 21.0 9.2 -0.5 14 56 A P S S- 0 0 57 0, 0.0 -1,-0.4 0, 0.0 3,-0.1 0.593 80.8-172.5 -72.3 161.3 23.3 8.9 1.4 15 57 A N S S+ 0 0 86 1,-0.2 68,-3.0 -3,-0.2 2,-0.5 0.469 72.4 57.9-101.8 -6.6 21.3 9.5 4.6 16 58 A V E +d 83 0B 68 66,-0.2 2,-0.4 68,-0.0 68,-0.2 -0.971 68.5 180.0-124.2 119.6 24.3 9.6 6.9 17 59 A I E -d 84 0B 6 66,-2.6 68,-3.6 -2,-0.5 2,-0.5 -0.952 12.8-156.8-121.3 131.4 26.9 12.2 6.0 18 60 A T E +d 85 0B 84 -2,-0.4 68,-0.2 66,-0.2 49,-0.0 -0.932 16.3 175.9-111.3 129.8 30.2 12.9 7.9 19 61 A I E -d 86 0B 5 66,-3.3 68,-1.8 -2,-0.5 2,-0.1 -0.981 30.9-103.9-134.2 146.9 31.9 16.3 7.7 20 62 A P > - 0 0 47 0, 0.0 3,-0.9 0, 0.0 2,-0.1 -0.371 34.3-115.5 -71.3 141.9 35.0 17.8 9.4 21 63 A I T 3 S+ 0 0 46 66,-2.0 42,-0.2 1,-0.2 3,-0.1 -0.445 93.6 8.5 -75.5 146.9 34.8 20.3 12.3 22 64 A N T 3 S+ 0 0 99 40,-2.5 2,-0.3 1,-0.2 -1,-0.2 0.552 111.6 98.5 61.0 9.5 36.1 23.9 11.8 23 65 A E S < S- 0 0 120 -3,-0.9 2,-0.5 39,-0.2 -1,-0.2 -0.820 76.7-109.8-120.3 163.9 36.6 23.2 8.1 24 66 A S - 0 0 72 -2,-0.3 2,-0.4 37,-0.2 37,-0.2 -0.821 31.0-175.7 -99.2 131.3 34.5 24.0 5.0 25 67 A T E - C 0 60A 10 35,-2.8 35,-3.1 -2,-0.5 2,-0.5 -0.986 16.5-141.2-125.5 132.3 32.7 21.3 3.1 26 68 A T E - C 0 59A 42 -2,-0.4 -23,-2.7 33,-0.2 2,-0.5 -0.821 13.9-163.2 -95.8 128.1 30.7 21.7 -0.1 27 69 A L E -aC 3 58A 3 31,-3.8 31,-2.3 -2,-0.5 2,-0.7 -0.940 7.5-154.4-107.5 129.2 27.6 19.6 -0.6 28 70 A L E -aC 4 57A 22 -25,-2.3 -23,-2.9 -2,-0.5 2,-0.6 -0.909 14.4-160.2-101.0 111.6 26.0 19.2 -4.0 29 71 A L E -aC 5 56A 0 27,-3.4 27,-2.2 -2,-0.7 2,-0.6 -0.830 7.3-171.6 -98.3 118.1 22.3 18.5 -3.5 30 72 A K E -aC 6 55A 57 -25,-2.6 -23,-3.3 -2,-0.6 2,-1.0 -0.921 10.7-156.7-114.8 111.0 20.5 16.9 -6.4 31 73 A N E +a 7 0A 2 23,-2.3 22,-1.9 -2,-0.6 23,-0.3 -0.748 23.1 163.6 -88.2 102.8 16.7 16.6 -6.3 32 74 A K + 0 0 131 -25,-2.9 -24,-0.2 -2,-1.0 -1,-0.2 0.397 45.4 97.5 -96.9 -0.7 15.9 13.7 -8.6 33 75 A G S S- 0 0 5 -26,-0.7 20,-0.4 2,-0.2 4,-0.1 -0.241 81.6-118.3 -83.7 174.7 12.3 13.2 -7.3 34 76 A K S S+ 0 0 182 18,-0.1 2,-0.2 2,-0.1 18,-0.2 0.748 94.0 70.2 -80.0 -26.7 9.0 14.5 -8.6 35 77 A S S S- 0 0 39 16,-0.1 -2,-0.2 1,-0.1 18,-0.2 -0.563 91.1-105.9 -93.6 153.3 8.4 16.5 -5.5 36 78 A E - 0 0 80 -2,-0.2 2,-0.3 16,-0.1 15,-0.2 -0.524 46.7-172.0 -65.0 143.1 10.1 19.6 -4.1 37 79 A H E -E 50 0B 0 13,-1.9 13,-2.9 -2,-0.2 2,-0.3 -0.948 16.0-141.0-134.5 161.8 12.4 18.7 -1.2 38 80 A T E -E 49 0B 0 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.855 8.2-146.1-116.5 159.8 14.4 20.4 1.4 39 81 A F E +E 48 0B 0 9,-2.1 9,-1.9 -2,-0.3 2,-0.5 -0.971 36.3 174.9-117.0 105.9 17.8 19.6 3.0 40 82 A T E +EF 47 71B 0 31,-1.9 31,-2.5 -2,-0.5 2,-0.4 -0.966 28.3 171.6-128.9 123.8 17.4 20.8 6.5 41 83 A I E > > -E 46 0B 3 5,-2.2 5,-2.1 -2,-0.5 3,-1.7 -0.831 14.4-174.9-124.3 89.2 19.7 20.5 9.5 42 84 A K G > 5S+ 0 0 31 -2,-0.4 3,-1.3 27,-0.3 -1,-0.1 0.836 78.1 58.5 -62.3 -34.9 17.9 22.7 12.0 43 85 A K G 3 5S+ 0 0 146 26,-0.3 -1,-0.3 1,-0.3 -3,-0.0 0.665 112.2 42.7 -70.4 -15.1 20.6 22.5 14.7 44 86 A L G < 5S- 0 0 49 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.352 113.8-118.6-104.8 2.4 23.0 24.0 12.3 45 87 A G T < 5 + 0 0 57 -3,-1.3 2,-0.4 -4,-0.5 -3,-0.2 0.731 65.2 147.6 67.9 22.6 20.5 26.5 11.0 46 88 A I E < +E 41 0B 29 -5,-2.1 -5,-2.2 2,-0.0 2,-0.3 -0.771 13.7 157.0 -96.2 131.3 20.8 25.0 7.5 47 89 A D E +E 40 0B 55 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.835 7.7 172.6-155.1 114.1 17.8 24.9 5.2 48 90 A V E -E 39 0B 20 -9,-1.9 -9,-2.1 -2,-0.3 2,-0.5 -0.984 20.0-149.7-127.6 125.4 17.9 24.6 1.4 49 91 A V E -E 38 0B 40 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.811 14.9-166.4 -92.7 127.4 14.9 24.1 -0.8 50 92 A V E -E 37 0B 0 -13,-2.9 -13,-1.9 -2,-0.5 3,-0.1 -0.972 15.3-133.2-118.8 121.4 15.8 22.1 -3.9 51 93 A E > - 0 0 94 -2,-0.5 3,-2.2 -15,-0.2 -20,-0.3 -0.289 37.3 -82.0 -72.8 154.0 13.4 22.1 -6.8 52 94 A S T 3 S+ 0 0 49 1,-0.3 -20,-0.2 -18,-0.2 -1,-0.1 -0.359 116.7 7.8 -54.4 126.6 12.3 18.9 -8.6 53 95 A G T 3 S+ 0 0 60 -22,-1.9 -1,-0.3 -20,-0.4 2,-0.2 0.510 114.1 100.1 79.3 5.8 14.9 18.1 -11.2 54 96 A K < - 0 0 121 -3,-2.2 -23,-2.3 -23,-0.3 2,-0.3 -0.557 56.1-144.2-115.3 178.9 17.3 20.8 -10.0 55 97 A E E -C 30 0A 116 -25,-0.2 2,-0.3 -2,-0.2 -25,-0.2 -0.994 8.6-170.0-147.1 155.0 20.4 21.0 -7.9 56 98 A K E -C 29 0A 89 -27,-2.2 -27,-3.4 -2,-0.3 2,-0.4 -0.994 15.5-137.1-141.6 146.7 22.1 23.4 -5.5 57 99 A N E -C 28 0A 104 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.2 -0.811 18.9-176.6 -96.4 144.9 25.5 23.7 -3.7 58 100 A I E -C 27 0A 26 -31,-2.3 -31,-3.8 -2,-0.4 2,-0.5 -0.990 13.6-151.5-135.0 140.0 25.9 24.5 -0.1 59 101 A T E -C 26 0A 87 -2,-0.4 2,-0.4 -33,-0.3 -33,-0.2 -0.935 16.7-166.0-109.0 126.6 29.1 25.0 1.7 60 102 A V E -C 25 0A 11 -35,-3.1 -35,-2.8 -2,-0.5 -2,-0.0 -0.878 17.8-178.5-115.3 143.0 29.0 24.3 5.4 61 103 A K - 0 0 127 -2,-0.4 -37,-0.2 -37,-0.2 -40,-0.1 -0.692 19.6-162.1-138.0 82.1 31.6 25.1 8.2 62 104 A P - 0 0 8 0, 0.0 -40,-2.5 0, 0.0 -39,-0.2 -0.346 13.6-166.7 -71.1 147.7 30.4 23.7 11.5 63 105 A K + 0 0 140 -42,-0.2 2,-0.4 1,-0.2 -42,-0.1 0.519 69.2 57.4-109.1 -11.6 31.8 24.9 14.8 64 106 A S S S- 0 0 71 2,-0.0 -1,-0.2 23,-0.0 22,-0.1 -0.983 77.1-128.0-131.2 128.6 30.5 22.2 17.1 65 107 A A + 0 0 63 -2,-0.4 2,-0.3 -3,-0.1 22,-0.2 -0.415 57.9 94.7 -69.0 143.7 31.1 18.5 17.0 66 108 A G E S- G 0 86B 27 20,-2.1 20,-3.2 -2,-0.1 2,-0.5 -0.947 71.9 -78.7 164.0-176.3 28.0 16.3 17.2 67 109 A T E - G 0 85B 79 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.982 43.9-167.3-117.4 124.7 25.4 14.4 15.3 68 110 A Y E - G 0 84B 34 16,-2.7 16,-2.7 -2,-0.5 2,-0.1 -0.914 22.7-112.7-121.5 136.1 22.6 16.4 13.9 69 111 A E E - G 0 83B 49 -2,-0.4 2,-0.4 14,-0.2 -26,-0.3 -0.415 26.1-157.8 -65.1 135.4 19.2 15.4 12.4 70 112 A L E + G 0 82B 0 12,-2.5 12,-2.5 -55,-0.2 2,-0.3 -0.958 21.2 166.3-111.2 133.3 18.7 15.9 8.7 71 113 A I E -FG 40 81B 0 -31,-2.5 -31,-1.9 -2,-0.4 2,-0.6 -0.953 40.6-126.9-137.5 162.1 15.1 16.2 7.4 72 114 A C > - 0 0 0 8,-1.7 4,-0.9 -2,-0.3 8,-0.1 -0.977 22.6-152.1 -98.1 123.4 13.1 17.2 4.4 73 115 A R T 4 S+ 0 0 16 -2,-0.6 4,-0.1 1,-0.2 -1,-0.1 0.711 92.0 48.6 -66.4 -20.5 10.5 19.7 5.7 74 116 A Y T 4 S+ 0 0 72 1,-0.1 -1,-0.2 2,-0.1 3,-0.2 0.847 125.3 21.5 -90.3 -34.6 8.0 18.7 3.0 75 117 A H T >4>S+ 0 0 32 1,-0.1 3,-2.0 5,-0.1 5,-1.0 0.098 77.8 125.2-128.4 25.5 8.1 14.9 3.2 76 118 A L G ><5S+ 0 0 3 -4,-0.9 3,-2.1 1,-0.3 4,-0.3 0.842 71.3 61.4 -44.8 -42.7 9.4 14.2 6.7 77 119 A L G 3 5S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.606 92.8 63.6 -76.4 -7.9 6.4 12.1 7.4 78 120 A K G < 5S- 0 0 126 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.331 129.5 -94.8 -87.9 2.6 7.3 9.6 4.6 79 121 A G T < 5S+ 0 0 49 -3,-2.1 2,-1.7 1,-0.2 -2,-0.2 0.636 70.9 157.9 97.6 18.4 10.4 8.9 6.6 80 122 A X < + 0 0 0 -5,-1.0 -8,-1.7 -4,-0.3 2,-0.3 -0.552 30.2 109.7 -82.9 86.2 12.7 11.3 4.8 81 123 A E E + G 0 71B 67 -2,-1.7 -69,-0.4 -10,-0.2 -10,-0.2 -0.943 30.9 162.5-150.2 169.1 15.4 12.0 7.3 82 124 A G E - G 0 70B 12 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.3 -0.829 31.7 -95.6-163.4-161.7 19.1 11.3 8.0 83 125 A K E -dG 16 69B 112 -68,-3.0 -66,-2.6 -14,-0.2 2,-0.5 -0.995 12.3-155.5-139.5 144.6 22.1 12.4 10.0 84 126 A V E -dG 17 68B 2 -16,-2.7 -16,-2.7 -2,-0.3 2,-0.6 -0.986 16.8-155.9-119.2 121.7 25.0 14.7 9.6 85 127 A I E -dG 18 67B 30 -68,-3.6 -66,-3.3 -2,-0.5 2,-0.6 -0.873 4.4-164.4-102.7 120.4 28.0 13.9 11.7 86 128 A V E dG 19 66B 0 -20,-3.2 -20,-2.1 -2,-0.6 -68,-0.0 -0.915 360.0 360.0-103.0 119.5 30.5 16.7 12.6 87 129 A K 0 0 172 -68,-1.8 -66,-2.0 -2,-0.6 -2,-0.0 -0.973 360.0 360.0-141.7 360.0 33.8 15.5 13.9 88 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 38 B P 0 0 173 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.4 -20.7 6.0 29.9 90 39 B I - 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