==== 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 4HCF . COMPND 2 MOLECULE: CUPREDOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.KIM,N.MALTSEVA,S.SHATSMAN,W.F.ANDERSON,A.JOACHIMIAK,CENTER . 184 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 28.3 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 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.2 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 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 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 41 A A 0 0 96 0, 0.0 2,-0.4 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -40.5 23.3 -10.5 57.3 2 42 A K E -a 26 0A 112 23,-1.4 25,-3.0 19,-0.1 2,-0.4 -0.980 360.0-159.0-131.5 143.4 23.3 -8.1 54.4 3 43 A V E +a 27 0A 100 -2,-0.4 2,-0.4 23,-0.2 25,-0.2 -0.993 15.5 178.5-123.1 127.3 23.2 -4.3 54.2 4 44 A I E -a 28 0A 30 23,-2.9 25,-2.6 -2,-0.4 2,-0.4 -0.984 19.0-148.9-131.5 123.7 22.0 -2.6 51.0 5 45 A E E -a 29 0A 86 -2,-0.4 2,-0.5 23,-0.2 25,-0.2 -0.739 15.4-169.0 -85.2 133.3 21.6 1.1 50.2 6 46 A V E -a 30 0A 0 23,-2.7 25,-2.7 -2,-0.4 2,-0.4 -0.985 10.4-147.9-124.6 120.9 18.8 1.9 47.8 7 47 A E E -aB 31 14A 44 7,-3.1 7,-2.2 -2,-0.5 2,-0.7 -0.729 1.7-155.1 -84.7 129.7 18.6 5.4 46.3 8 48 A L E +aB 32 13A 0 23,-3.4 25,-1.9 -2,-0.4 26,-0.9 -0.930 28.5 171.0-102.0 110.8 15.1 6.7 45.6 9 49 A N E > - B 0 12A 18 3,-2.8 3,-1.3 -2,-0.7 2,-0.7 -0.659 45.1 -58.0-113.4 169.8 15.6 9.3 42.8 10 50 A D T 3 S- 0 0 51 1,-0.3 134,-0.1 -2,-0.2 28,-0.0 -0.802 122.1 -20.1 -85.0 111.9 13.3 11.3 40.6 11 51 A D T 3 S+ 0 0 16 -2,-0.7 134,-0.3 134,-0.0 -1,-0.3 -0.230 123.3 58.1-124.6 77.0 11.9 8.9 39.3 12 52 A Y E < -B 9 0A 41 -3,-1.3 -3,-2.8 69,-0.2 2,-0.4 -0.982 64.2-114.0-152.6 161.9 13.8 5.7 39.5 13 53 A F E -B 8 0A 0 132,-0.4 -5,-0.2 69,-0.4 3,-0.2 -0.790 29.0-131.2 -95.9 143.6 15.4 3.2 42.0 14 54 A N E S+B 7 0A 61 -7,-2.2 -7,-3.1 1,-0.4 2,-0.2 -0.880 101.1 21.4-139.6 109.0 19.1 2.7 42.1 15 55 A P S S- 0 0 47 0, 0.0 -1,-0.4 0, 0.0 3,-0.1 0.542 79.9-176.8 -75.5 157.7 19.8 -0.1 42.1 16 56 A N S S+ 0 0 6 -3,-0.2 68,-2.6 1,-0.2 2,-0.4 0.361 73.3 57.6-103.9 1.1 16.5 -1.2 40.5 17 57 A V E S-d 84 0B 37 66,-0.2 2,-0.4 2,-0.0 68,-0.2 -0.976 71.2-178.9-125.6 122.0 17.4 -4.9 40.7 18 58 A I E -d 85 0B 4 66,-2.5 68,-3.1 -2,-0.4 2,-0.5 -0.968 13.1-160.2-126.3 126.6 18.1 -6.1 44.2 19 59 A T E +d 86 0B 78 -2,-0.4 68,-0.2 66,-0.2 66,-0.0 -0.934 16.0 175.7-109.9 126.8 19.1 -9.6 45.3 20 60 A I E -d 87 0B 5 66,-2.5 68,-2.1 -2,-0.5 2,-0.2 -0.948 32.6-102.0-129.8 149.9 18.7 -10.6 48.9 21 61 A P > - 0 0 33 0, 0.0 3,-1.0 0, 0.0 2,-0.1 -0.438 34.3-115.8 -76.6 141.7 19.2 -14.0 50.7 22 62 A I T 3 S+ 0 0 51 1,-0.2 42,-0.2 -2,-0.2 3,-0.1 -0.454 94.4 7.5 -72.6 143.2 16.3 -16.2 51.6 23 63 A N T 3 S+ 0 0 82 40,-2.8 2,-0.3 1,-0.2 -1,-0.2 0.717 110.4 98.4 57.6 25.5 15.6 -16.9 55.3 24 64 A E S < S- 0 0 104 -3,-1.0 2,-0.4 39,-0.3 -1,-0.2 -0.949 78.6-103.8-135.3 157.2 18.2 -14.3 56.4 25 65 A S - 0 0 49 -2,-0.3 -23,-1.4 37,-0.2 2,-0.4 -0.673 32.0-171.9 -86.6 132.6 17.8 -10.6 57.5 26 66 A T E -aC 2 61A 0 35,-2.7 35,-2.7 -2,-0.4 2,-0.6 -0.989 13.6-145.9-122.1 132.5 18.7 -7.8 55.1 27 67 A T E -aC 3 60A 41 -25,-3.0 -23,-2.9 -2,-0.4 2,-0.5 -0.880 12.2-159.6 -97.1 123.8 18.8 -4.2 56.1 28 68 A L E -aC 4 59A 6 31,-2.7 31,-2.3 -2,-0.6 2,-0.9 -0.916 6.5-155.8-102.9 124.0 17.7 -1.8 53.4 29 69 A L E -aC 5 58A 42 -25,-2.6 -23,-2.7 -2,-0.5 2,-0.8 -0.865 14.6-161.1 -98.7 101.6 18.9 1.9 53.8 30 70 A L E -aC 6 57A 0 27,-2.5 27,-2.1 -2,-0.9 2,-0.6 -0.746 11.0-176.7 -93.0 108.0 16.2 3.7 51.7 31 71 A K E -aC 7 56A 51 -25,-2.7 -23,-3.4 -2,-0.8 2,-0.9 -0.916 16.9-153.0-114.3 115.6 17.6 7.1 50.8 32 72 A N E +a 8 0A 3 23,-2.5 22,-1.2 -2,-0.6 -23,-0.2 -0.767 22.7 166.7 -87.9 107.5 15.4 9.6 48.9 33 73 A K + 0 0 113 -25,-1.9 -24,-0.2 -2,-0.9 -1,-0.2 0.230 48.7 96.6-103.9 12.5 17.8 11.9 47.0 34 74 A G S S- 0 0 8 -26,-0.9 20,-0.4 2,-0.2 4,-0.1 -0.345 80.1-122.8 -93.1 177.5 15.0 13.3 44.9 35 75 A K S S+ 0 0 186 18,-0.1 2,-0.2 -2,-0.1 18,-0.2 0.606 91.6 68.2 -91.5 -17.6 12.9 16.4 45.2 36 76 A S S S- 0 0 46 16,-0.1 -2,-0.2 1,-0.1 2,-0.2 -0.628 92.2-101.4 -99.2 158.0 9.6 14.5 45.2 37 77 A E - 0 0 65 -2,-0.2 2,-0.3 15,-0.1 15,-0.2 -0.582 47.7-174.4 -69.4 140.6 8.1 12.2 47.9 38 78 A H E -E 51 0B 0 13,-2.1 13,-2.9 -2,-0.2 2,-0.3 -0.924 15.7-141.4-134.3 161.7 8.6 8.5 46.9 39 79 A T E -E 50 0B 1 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.891 7.9-149.2-121.0 160.6 7.6 5.1 48.1 40 80 A F E +E 49 0B 0 9,-2.6 9,-2.2 -2,-0.3 2,-0.5 -0.948 33.8 174.5-123.4 101.6 9.4 1.7 48.2 41 81 A T E +EF 48 72B 1 31,-2.2 31,-2.4 -2,-0.5 2,-0.3 -0.955 23.1 160.8-126.4 117.9 6.5 -0.7 47.8 42 82 A I E > > -E 47 0B 2 5,-2.9 5,-2.4 -2,-0.5 3,-1.5 -0.795 12.6-177.8-132.8 87.1 6.7 -4.5 47.5 43 83 A K G > 5S+ 0 0 141 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.867 79.8 55.3 -56.1 -42.0 3.3 -5.8 48.4 44 84 A K G 3 5S+ 0 0 178 26,-0.3 -1,-0.3 1,-0.3 -3,-0.0 0.633 110.3 45.9 -72.6 -13.5 4.1 -9.4 48.0 45 85 A L G < 5S- 0 0 42 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.337 117.9-110.6-104.9 3.3 7.0 -9.1 50.5 46 86 A G T < 5S+ 0 0 73 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.759 74.1 132.9 77.2 26.5 4.9 -7.1 53.0 47 87 A I E < +E 42 0B 14 -5,-2.4 -5,-2.9 2,-0.0 -1,-0.2 -0.935 17.2 152.2-117.9 128.7 6.7 -3.8 52.5 48 88 A D E +E 41 0B 75 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.711 16.9 164.8-154.1 98.9 5.2 -0.4 51.9 49 89 A V E -E 40 0B 27 -9,-2.2 -9,-2.6 -2,-0.2 2,-0.4 -0.958 25.8-148.5-126.7 131.2 7.2 2.6 53.0 50 90 A V E -E 39 0B 53 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.832 13.5-168.5 -95.8 132.6 7.0 6.3 52.2 51 91 A V E -E 38 0B 0 -13,-2.9 -13,-2.1 -2,-0.4 3,-0.1 -0.971 14.8-138.4-123.6 115.4 10.2 8.3 52.2 52 92 A E > - 0 0 89 -2,-0.5 3,-2.2 -15,-0.2 -20,-0.3 -0.279 42.4 -74.5 -66.3 157.5 10.1 12.1 52.0 53 93 A S T 3 S+ 0 0 53 1,-0.3 -1,-0.2 -18,-0.2 -20,-0.1 -0.259 119.0 6.2 -54.2 127.5 12.4 14.2 49.8 54 94 A G T 3 S+ 0 0 60 -22,-1.2 -1,-0.3 -20,-0.4 2,-0.2 0.486 111.4 107.7 79.0 2.4 15.9 14.3 51.3 55 95 A K < - 0 0 132 -3,-2.2 -23,-2.5 -23,-0.0 2,-0.3 -0.519 56.0-138.4-109.0 177.1 15.0 11.8 54.1 56 96 A E E -C 31 0A 80 -25,-0.2 2,-0.4 -2,-0.2 -25,-0.2 -0.974 8.2-165.6-137.2 147.8 15.8 8.2 54.9 57 97 A K E -C 30 0A 82 -27,-2.1 -27,-2.5 -2,-0.3 2,-0.5 -0.997 11.1-156.0-130.6 135.5 14.0 5.1 56.2 58 98 A N E +C 29 0A 93 -2,-0.4 2,-0.3 -29,-0.2 -29,-0.2 -0.922 19.0 170.9-114.8 124.0 15.8 2.0 57.4 59 99 A I E -C 28 0A 34 -31,-2.3 -31,-2.7 -2,-0.5 2,-0.5 -0.932 23.3-146.9-132.3 155.6 14.1 -1.3 57.4 60 100 A T E -C 27 0A 96 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.2 -0.977 19.5-173.2-127.0 123.5 15.1 -4.9 57.9 61 101 A V E -C 26 0A 23 -35,-2.7 -35,-2.7 -2,-0.5 -37,-0.0 -0.777 17.7-169.7-116.6 154.5 13.4 -7.7 56.0 62 102 A K - 0 0 130 -2,-0.3 -37,-0.2 -37,-0.2 -40,-0.1 -0.675 18.1-162.9-143.7 82.4 13.5 -11.5 56.2 63 103 A P - 0 0 12 0, 0.0 -40,-2.8 0, 0.0 -39,-0.3 -0.380 10.6-166.4 -75.0 146.8 11.8 -13.1 53.2 64 104 A K + 0 0 152 -42,-0.2 2,-0.5 1,-0.1 -42,-0.1 0.564 65.2 65.7-108.7 -15.3 10.8 -16.8 53.4 65 105 A S S S- 0 0 73 2,-0.0 -1,-0.1 -43,-0.0 22,-0.1 -0.947 74.3-130.3-121.5 126.1 9.9 -17.5 49.8 66 106 A A + 0 0 68 -2,-0.5 2,-0.3 22,-0.1 22,-0.2 -0.362 57.9 91.9 -65.6 146.8 12.3 -17.6 46.8 67 107 A G E S- G 0 87B 28 20,-1.9 20,-3.2 -2,-0.1 2,-0.5 -0.920 73.9 -74.5 156.4 179.4 11.1 -15.6 43.8 68 108 A T E - G 0 86B 88 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.961 43.4-165.1-112.6 129.4 11.1 -12.3 41.9 69 109 A Y E - G 0 85B 33 16,-3.0 16,-2.8 -2,-0.5 2,-0.3 -0.935 19.8-119.9-123.4 129.4 9.0 -9.6 43.3 70 110 A E E - G 0 84B 90 -2,-0.4 2,-0.4 14,-0.2 -26,-0.3 -0.496 23.3-159.1 -68.2 131.3 7.9 -6.3 41.7 71 111 A L E + G 0 83B 0 12,-2.6 12,-2.8 -2,-0.3 2,-0.3 -0.932 18.9 171.9-109.4 130.9 9.0 -3.1 43.4 72 112 A I E -FG 41 82B 21 -31,-2.4 -31,-2.2 -2,-0.4 2,-0.5 -0.929 36.3-132.7-132.0 158.2 7.1 0.0 42.7 73 113 A C > - 0 0 0 8,-1.8 4,-1.4 -2,-0.3 3,-0.2 -0.982 22.5-146.6-100.1 126.1 6.8 3.6 43.8 74 114 A R T 4 S+ 0 0 124 -2,-0.5 4,-0.1 1,-0.2 -1,-0.1 0.741 94.9 47.4 -62.8 -24.6 3.0 4.2 44.2 75 115 A Y T 4 S+ 0 0 115 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.818 125.4 22.3 -89.4 -32.5 3.4 7.8 43.0 76 116 A H T >4>S+ 0 0 28 5,-0.2 5,-1.9 -3,-0.2 3,-1.5 0.170 79.3 116.8-126.5 16.2 5.6 7.5 39.9 77 117 A L G ><5S+ 0 0 24 -4,-1.4 3,-2.3 1,-0.3 -1,-0.1 0.900 78.0 57.0 -47.3 -45.7 5.1 3.9 38.8 78 118 A L G 3 5S+ 0 0 102 1,-0.3 79,-2.3 2,-0.2 -1,-0.3 0.708 101.9 56.1 -67.2 -18.3 3.5 5.1 35.5 79 119 A K G < 5S- 0 0 83 -3,-1.5 -1,-0.3 77,-0.2 -2,-0.2 0.345 132.1 -91.1 -90.7 4.3 6.7 7.1 34.8 80 120 A G T < 5S+ 0 0 2 -3,-2.3 2,-1.9 -4,-0.2 65,-0.3 0.575 74.9 150.1 99.0 11.2 8.8 3.9 35.1 81 121 A X < + 0 0 0 -5,-1.9 -8,-1.8 -8,-0.1 2,-0.3 -0.556 40.1 111.2 -79.5 85.9 9.6 4.0 38.8 82 122 A E E + G 0 72B 11 -2,-1.9 -69,-0.4 63,-0.4 2,-0.3 -0.977 30.5 150.1-153.8 155.4 9.8 0.3 39.1 83 123 A G E - G 0 71B 3 -12,-2.8 -12,-2.6 -2,-0.3 2,-0.3 -0.868 32.0-104.1-165.2-160.9 12.2 -2.5 39.8 84 124 A K E -dG 17 70B 21 -68,-2.6 -66,-2.5 -2,-0.3 2,-0.5 -1.000 4.7-146.1-146.7 156.3 12.5 -5.9 41.3 85 125 A V E -dG 18 69B 4 -16,-2.8 -16,-3.0 -2,-0.3 2,-0.6 -0.971 16.5-156.5-116.2 125.1 13.7 -7.8 44.3 86 126 A I E -dG 19 68B 39 -68,-3.1 -66,-2.5 -2,-0.5 2,-0.6 -0.906 3.5-158.0-102.4 121.8 15.0 -11.3 43.7 87 127 A V E dG 20 67B 3 -20,-3.2 -20,-1.9 -2,-0.6 -68,-0.1 -0.903 360.0 360.0 -98.5 125.0 14.9 -13.5 46.8 88 128 A K 0 0 175 -68,-2.1 -1,-0.1 -2,-0.6 -22,-0.1 0.531 360.0 360.0-148.0 360.0 17.4 -16.4 46.4 89 !* 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 90 33 B D 0 0 130 0, 0.0 3,-0.4 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 129.4 0.6 -1.4 35.8 91 34 B L + 0 0 8 1,-0.2 64,-2.6 62,-0.1 -13,-0.0 0.330 360.0 99.5 -95.4 7.8 3.0 -1.0 32.8 92 35 B A S S+ 0 0 40 62,-0.2 -1,-0.2 1,-0.1 62,-0.0 0.817 88.5 26.6 -63.6 -33.4 1.7 -3.9 30.6 93 36 B Q S S- 0 0 143 -3,-0.4 62,-0.1 62,-0.1 2,-0.1 -0.963 78.7-118.2-134.4 145.3 -0.5 -1.8 28.3 94 37 B P - 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