==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-AUG-09 3IN0 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.G.GAO,H.ROBINSON . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 19.1 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 45 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 6 0 0 0 0 2 0 2 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 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 0 PARALLEL BRIDGES PER LADDER . 7 4 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 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 1 A A > 0 0 84 0, 0.0 3,-1.5 0, 0.0 2,-1.1 0.000 360.0 360.0 360.0-129.2 2.1 7.5 16.4 2 2 A E T 3 - 0 0 165 1,-0.3 3,-0.1 145,-0.1 144,-0.0 -0.437 360.0 -24.3 -62.9 91.2 -1.4 8.5 17.7 3 3 A a T 3 S+ 0 0 47 -2,-1.1 27,-2.0 1,-0.2 2,-0.3 0.755 130.0 58.9 77.4 30.0 -3.7 6.9 15.2 4 4 A S E < -a 30 0A 27 -3,-1.5 2,-0.3 25,-0.2 27,-0.2 -0.958 63.3-140.1-175.4 158.0 -1.3 6.6 12.3 5 5 A V E -a 31 0A 28 25,-1.7 27,-1.8 -2,-0.3 2,-0.5 -0.950 14.5-133.5-129.3 152.1 2.0 5.3 11.2 6 6 A D E -a 32 0A 38 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.932 28.1-172.7 -99.3 118.3 4.9 6.6 9.1 7 7 A I E -a 33 0A 1 25,-1.8 27,-2.0 -2,-0.5 2,-0.5 -0.964 12.1-144.4-122.4 141.0 6.1 4.2 6.4 8 8 A Q E -a 34 0A 16 -2,-0.4 8,-0.9 25,-0.2 2,-0.6 -0.871 8.8-169.4-103.9 124.0 9.2 4.5 4.1 9 9 A G B -C 15 0B 1 25,-3.5 6,-0.2 -2,-0.5 37,-0.1 -0.957 26.5-178.5-107.8 108.0 9.4 3.2 0.5 10 10 A N > - 0 0 30 4,-1.2 3,-0.8 -2,-0.6 4,-0.4 -0.302 43.6 -88.7-100.9-173.9 13.0 3.4 -0.6 11 11 A D T 3 S+ 0 0 25 1,-0.2 26,-0.1 25,-0.2 34,-0.0 0.235 116.5 66.6 -68.9 -4.2 15.3 2.8 -3.6 12 12 A Q T 3 S- 0 0 128 2,-0.1 -1,-0.2 32,-0.0 25,-0.0 0.059 118.3-102.6-113.4 24.6 15.8 -0.8 -2.5 13 13 A M S < S+ 0 0 45 -3,-0.8 2,-0.3 1,-0.2 -2,-0.1 0.922 78.5 136.1 57.4 49.9 12.2 -1.9 -3.1 14 14 A Q - 0 0 61 -4,-0.4 -4,-1.2 107,-0.1 2,-0.3 -0.890 52.1-153.5-131.8 159.1 11.4 -1.8 0.6 15 15 A F B -C 9 0B 21 -2,-0.3 -6,-0.2 105,-0.3 151,-0.1 -0.940 27.6-133.4-113.6 139.9 8.9 -0.8 3.3 16 16 A N S S+ 0 0 16 -8,-0.9 2,-0.3 -2,-0.3 125,-0.2 0.179 89.4 42.6 -88.4 25.7 10.4 -0.2 6.7 17 17 A T - 0 0 10 -9,-0.2 3,-0.1 105,-0.1 -1,-0.1 -0.903 48.0-174.8-163.7 134.7 7.6 -2.3 8.3 18 18 A N S S+ 0 0 103 -2,-0.3 106,-2.0 1,-0.2 2,-0.3 0.212 81.7 57.8-109.9 13.9 5.9 -5.6 7.5 19 19 A A E -d 124 0C 24 104,-0.2 2,-0.5 2,-0.0 106,-0.2 -0.822 63.8-168.1-149.6 102.7 3.4 -5.2 10.3 20 20 A I E -d 125 0C 2 104,-3.6 106,-3.7 -2,-0.3 2,-0.4 -0.834 10.7-154.9-101.1 128.1 1.0 -2.3 10.7 21 21 A T E -d 126 0C 40 -2,-0.5 2,-0.5 124,-0.4 106,-0.2 -0.821 7.7-169.3-103.9 132.8 -0.8 -1.9 14.0 22 22 A V - 0 0 0 104,-3.1 106,-0.2 -2,-0.4 4,-0.1 -0.935 20.8-133.3-125.6 109.7 -4.2 -0.1 14.4 23 23 A D > - 0 0 67 -2,-0.5 3,-1.0 1,-0.1 104,-0.0 -0.387 18.4-132.4 -59.7 134.5 -5.6 0.7 17.8 24 24 A K T 3 S+ 0 0 101 104,-0.8 2,-0.9 1,-0.3 -1,-0.1 0.883 101.8 68.5 -52.0 -44.3 -9.3 -0.3 17.8 25 25 A S T 3 S+ 0 0 107 2,-0.0 2,-0.5 74,-0.0 -1,-0.3 0.003 75.6 106.6 -71.4 29.3 -10.2 3.1 19.4 26 26 A a < - 0 0 8 -3,-1.0 73,-0.1 -2,-0.9 3,-0.1 -0.941 53.1-165.1-107.2 121.5 -9.2 4.9 16.2 27 27 A K S S+ 0 0 193 -2,-0.5 72,-2.3 1,-0.2 73,-0.6 0.915 82.8 12.4 -72.2 -34.6 -12.2 6.2 14.2 28 28 A Q E S- B 0 98A 85 70,-0.3 2,-0.4 71,-0.2 70,-0.2 -0.859 74.2-140.5-130.7 157.6 -9.9 6.7 11.2 29 29 A F E - B 0 97A 5 68,-2.1 68,-1.7 -2,-0.3 2,-0.4 -0.991 12.1-154.9-130.6 129.8 -6.4 5.5 10.5 30 30 A T E -aB 4 96A 36 -27,-2.0 -25,-1.7 -2,-0.4 2,-0.5 -0.853 7.0-170.6-108.3 135.7 -3.7 7.6 8.7 31 31 A V E -aB 5 95A 0 64,-4.2 64,-3.1 -2,-0.4 2,-0.7 -0.995 5.6-162.8-123.1 124.7 -0.7 6.4 6.8 32 32 A N E -aB 6 94A 36 -27,-1.8 -25,-1.8 -2,-0.5 2,-0.3 -0.921 12.6-157.8-107.2 102.5 1.9 8.8 5.7 33 33 A L E -aB 7 93A 0 60,-2.3 60,-1.5 -2,-0.7 2,-0.3 -0.628 11.2-173.9 -84.6 140.2 4.1 7.2 2.9 34 34 A S E -aB 8 92A 24 -27,-2.0 -25,-3.5 -2,-0.3 58,-0.2 -0.990 14.8-152.9-139.4 145.4 7.6 8.6 2.3 35 35 A H - 0 0 5 56,-1.5 55,-4.6 -2,-0.3 -25,-0.2 -0.855 12.0-175.9-126.2 95.7 10.2 7.9 -0.3 36 36 A P + 0 0 34 0, 0.0 -25,-0.2 0, 0.0 3,-0.2 -0.467 48.8 58.8 -82.0 162.0 13.9 8.4 0.5 37 37 A G S S- 0 0 16 237,-0.4 -2,-0.1 -27,-0.2 -28,-0.0 -0.434 87.1 -92.9 107.2 173.8 16.5 7.9 -2.3 38 38 A N S S+ 0 0 109 -2,-0.1 -1,-0.1 51,-0.1 -28,-0.0 0.042 76.4 118.7-121.8 31.6 16.9 9.6 -5.6 39 39 A L - 0 0 60 -3,-0.2 50,-2.6 5,-0.1 2,-0.1 -0.772 61.9-117.9 -97.6 141.1 15.0 7.3 -8.0 40 40 A P >> - 0 0 67 0, 0.0 4,-3.3 0, 0.0 3,-2.6 -0.397 22.2-111.9 -78.5 155.7 12.0 8.6 -10.0 41 41 A K H 3> S+ 0 0 74 1,-0.3 4,-1.1 2,-0.2 46,-0.1 0.751 118.7 57.0 -51.0 -32.6 8.5 7.3 -9.7 42 42 A N H 34 S+ 0 0 117 2,-0.2 -1,-0.3 1,-0.2 26,-0.0 0.454 118.4 31.0 -85.0 -3.4 8.7 6.0 -13.2 43 43 A V H <4 S+ 0 0 88 -3,-2.6 -2,-0.2 0, 0.0 -1,-0.2 0.595 143.7 4.2-124.4 -30.1 11.8 3.9 -12.2 44 44 A M H < S+ 0 0 23 -4,-3.3 2,-0.3 2,-0.0 -2,-0.2 -0.296 81.8 156.3-155.1 59.0 11.2 3.1 -8.6 45 45 A G < - 0 0 4 -4,-1.1 2,-0.3 43,-0.1 43,-0.2 -0.666 18.3-167.1 -90.5 146.0 7.8 4.4 -7.5 46 46 A H B -H 87 0D 0 41,-2.0 41,-2.7 -2,-0.3 2,-0.2 -0.888 7.9-174.8-126.4 161.3 5.8 3.0 -4.6 47 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.2 38,-0.1 -0.817 26.3-120.6-136.3 178.1 2.3 3.2 -3.2 48 48 A W + 0 0 0 -2,-0.2 36,-2.1 36,-0.1 2,-0.4 -0.903 34.8 174.8-129.4 106.3 0.4 2.0 -0.1 49 49 A V E -EF 83 111C 0 62,-2.1 62,-1.9 -2,-0.5 2,-0.4 -0.920 11.8-160.2-117.3 136.0 -2.5 -0.3 -0.9 50 50 A L E +EF 82 110C 0 32,-2.4 31,-2.2 -2,-0.4 32,-0.9 -0.941 26.1 130.5-121.1 132.4 -4.7 -2.1 1.6 51 51 A S E - F 0 109C 0 58,-2.0 58,-3.8 -2,-0.4 29,-0.1 -0.908 58.5 -69.9-155.0-178.4 -7.0 -5.1 1.0 52 52 A T E > - F 0 108C 15 27,-0.4 4,-1.1 -2,-0.3 56,-0.3 -0.404 48.9-112.2 -72.3 160.2 -7.9 -8.5 2.5 53 53 A A T 4 S+ 0 0 39 54,-1.7 4,-0.5 1,-0.2 3,-0.1 0.815 117.7 56.2 -67.4 -27.5 -5.2 -11.2 1.9 54 54 A A T 4 S+ 0 0 90 53,-0.3 4,-0.4 1,-0.2 3,-0.3 0.905 112.3 40.7 -69.6 -36.8 -7.5 -13.0 -0.4 55 55 A D T > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.599 90.5 91.9 -86.2 -9.8 -7.9 -10.0 -2.7 56 56 A M H X S+ 0 0 15 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.891 87.4 45.1 -53.1 -47.3 -4.3 -8.9 -2.5 57 57 A Q H > S+ 0 0 104 -4,-0.5 4,-3.1 -3,-0.3 5,-0.3 0.868 111.5 51.9 -70.7 -36.3 -3.1 -10.8 -5.6 58 58 A G H > S+ 0 0 25 -4,-0.4 4,-2.4 1,-0.2 5,-0.3 0.944 112.5 46.5 -60.5 -47.1 -6.1 -9.8 -7.8 59 59 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 15,-0.3 0.808 115.6 46.7 -63.2 -35.8 -5.4 -6.1 -6.9 60 60 A V H X S+ 0 0 9 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.924 114.1 45.4 -73.3 -47.7 -1.7 -6.6 -7.6 61 61 A T H X S+ 0 0 78 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.838 118.4 42.9 -67.0 -34.6 -2.2 -8.4 -10.9 62 62 A D H X S+ 0 0 59 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.852 111.5 53.9 -78.5 -35.5 -4.8 -5.9 -12.1 63 63 A G H X S+ 0 0 0 -4,-1.5 4,-1.0 -5,-0.3 -2,-0.2 0.847 106.0 55.2 -64.7 -32.7 -2.8 -3.0 -10.8 64 64 A M H < S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.859 109.3 48.5 -60.3 -40.3 0.0 -4.4 -12.9 65 65 A A H < S+ 0 0 78 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.871 99.8 62.5 -73.5 -43.3 -2.3 -4.3 -15.9 66 66 A S H < S- 0 0 27 -4,-2.2 3,-0.2 1,-0.1 -1,-0.2 0.844 96.7-144.9 -59.2 -38.4 -3.6 -0.7 -15.5 67 67 A G ><> - 0 0 19 -4,-1.0 5,-2.6 1,-0.2 3,-0.9 -0.387 29.0 -51.7 105.3 179.0 -0.2 0.9 -16.0 68 68 A L G > 5S+ 0 0 67 1,-0.2 3,-1.3 3,-0.2 -1,-0.2 0.774 126.5 58.6 -66.8 -33.6 1.9 3.9 -14.8 69 69 A D G 3 5S+ 0 0 141 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.546 108.6 46.6 -81.1 -2.5 -0.8 6.5 -15.6 70 70 A K G X 5S- 0 0 94 -3,-0.9 3,-1.4 -7,-0.1 -1,-0.3 0.095 118.2-112.8-115.3 14.1 -3.2 4.7 -13.2 71 71 A D T < 5 - 0 0 33 -3,-1.3 -3,-0.2 1,-0.3 42,-0.2 0.653 64.5 -70.0 61.2 17.3 -0.5 4.4 -10.5 72 72 A Y T 3 - 0 0 82 -2,-0.3 3,-2.0 -15,-0.3 -11,-0.1 -0.563 46.3 -95.0 -76.4 136.9 -7.2 -0.7 -11.3 75 75 A P T 3 S- 0 0 61 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.249 102.8 -10.1 -52.5 133.8 -9.7 2.1 -11.6 76 76 A D T 3 S- 0 0 161 1,-0.2 2,-1.0 -3,-0.1 -2,-0.0 0.761 82.5-175.0 41.0 38.1 -12.2 2.1 -8.7 77 77 A D X - 0 0 10 -3,-2.0 3,-2.2 1,-0.2 -1,-0.2 -0.546 12.7-159.3 -64.2 103.5 -11.0 -1.4 -7.7 78 78 A S T 3 S+ 0 0 118 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.387 85.3 73.3 -66.5 -4.8 -13.5 -2.1 -5.0 79 79 A R T 3 S+ 0 0 56 -24,-0.1 2,-0.8 -28,-0.0 -27,-0.4 0.616 80.0 89.4 -80.0 -16.3 -11.1 -4.6 -3.5 80 80 A V < - 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