==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 12-JAN-09 3FT0 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.J.BANFIELD . 258 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 19.4 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 . 2 0.8 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 . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 4 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 0 100 0, 0.0 2,-0.7 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 129.5 10.7 3.7 28.4 2 2 A E + 0 0 158 1,-0.1 21,-0.8 24,-0.0 24,-0.1 -0.931 360.0 171.3-109.5 103.0 8.4 5.4 25.8 3 3 A a + 0 0 42 -2,-0.7 27,-2.6 19,-0.1 2,-0.3 0.153 50.4 56.2-107.6 19.5 10.1 4.3 22.6 4 4 A S E -a 30 0A 69 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.952 52.6-165.0-144.2 162.7 7.5 5.5 20.0 5 5 A V E -a 31 0A 35 25,-1.8 27,-3.1 -2,-0.3 2,-0.6 -0.976 14.6-143.2-146.6 138.8 5.7 8.6 18.8 6 6 A D E -a 32 0A 116 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.936 26.3-177.9 -99.4 124.4 2.6 9.0 16.6 7 7 A I E -a 33 0A 0 25,-2.6 27,-2.3 -2,-0.6 2,-0.4 -0.960 12.7-155.0-127.2 144.5 2.8 12.0 14.3 8 8 A Q E -a 34 0A 85 -2,-0.4 8,-1.3 25,-0.2 2,-0.4 -0.936 5.3-165.0-116.7 137.1 0.3 13.5 11.8 9 9 A G B -C 15 0B 0 25,-2.3 6,-0.2 -2,-0.4 37,-0.1 -0.996 27.2-162.2-113.8 125.2 1.0 15.7 8.7 10 10 A N > - 0 0 26 4,-2.1 3,-1.3 -2,-0.4 27,-0.2 -0.275 35.5 -94.4-107.0-176.0 -2.2 17.3 7.5 11 11 A D T 3 S+ 0 0 31 1,-0.2 26,-0.1 2,-0.1 -1,-0.0 0.632 119.9 61.6 -70.8 -12.3 -3.8 19.0 4.4 12 12 A Q T 3 S- 0 0 127 2,-0.2 -1,-0.2 32,-0.0 25,-0.0 0.217 119.0-106.0 -97.8 12.4 -2.8 22.4 6.0 13 13 A M S < S+ 0 0 53 -3,-1.3 2,-0.4 1,-0.2 -2,-0.1 0.917 77.0 124.7 63.9 45.2 0.9 21.6 5.9 14 14 A Q - 0 0 102 -4,-0.1 -4,-2.1 108,-0.1 2,-0.3 -0.997 52.7-143.3-135.4 146.7 1.4 21.0 9.6 15 15 A F B -C 9 0B 20 -2,-0.4 -6,-0.2 106,-0.3 108,-0.1 -0.696 26.1-128.6 -87.3 150.9 2.8 18.3 11.9 16 16 A N S S+ 0 0 91 -8,-1.3 2,-0.3 -2,-0.3 -7,-0.1 0.235 91.1 39.0 -89.8 14.2 0.9 17.9 15.2 17 17 A T - 0 0 40 -9,-0.2 -2,-0.1 106,-0.0 106,-0.1 -0.968 49.4-172.6-151.0 154.7 4.2 18.2 17.2 18 18 A N S S+ 0 0 53 -2,-0.3 107,-2.0 1,-0.2 2,-0.3 0.111 79.2 53.6-127.4 16.9 7.4 20.2 16.9 19 19 A A E -d 125 0C 29 105,-0.3 2,-0.4 235,-0.0 -1,-0.2 -0.878 60.4-171.6-155.5 116.8 9.3 18.3 19.7 20 20 A I E -d 126 0C 3 105,-2.7 107,-2.3 -2,-0.3 2,-0.4 -0.929 11.2-151.5-110.2 134.8 10.0 14.6 19.9 21 21 A T E -d 127 0C 84 -2,-0.4 2,-0.6 105,-0.2 107,-0.2 -0.887 4.7-163.6-106.2 132.2 11.6 13.0 23.0 22 22 A V E -d 128 0C 0 105,-2.9 107,-3.3 -2,-0.4 2,-0.2 -0.951 17.8-138.4-114.2 110.1 13.7 9.8 22.9 23 23 A D > - 0 0 45 -21,-0.8 3,-1.6 -2,-0.6 105,-0.1 -0.474 15.9-138.0 -56.6 128.1 14.2 8.0 26.3 24 24 A K T 3 S+ 0 0 130 105,-2.3 -1,-0.1 1,-0.3 104,-0.0 0.665 99.4 68.6 -74.2 -10.8 17.9 7.0 26.1 25 25 A S T 3 S+ 0 0 84 104,-0.3 2,-0.3 74,-0.0 -1,-0.3 0.648 78.6 102.5 -71.6 -18.0 17.1 3.6 27.7 26 26 A a < - 0 0 3 -3,-1.6 3,-0.1 1,-0.2 73,-0.0 -0.536 58.6-162.8 -65.9 127.8 15.3 2.8 24.4 27 27 A K S S+ 0 0 162 -2,-0.3 72,-2.0 1,-0.2 73,-0.5 0.863 80.5 15.4 -76.8 -39.1 17.4 0.6 22.2 28 28 A Q E S- B 0 98A 120 70,-0.2 2,-0.4 71,-0.1 -1,-0.2 -0.942 72.2-149.0-132.2 154.8 15.3 1.5 19.2 29 29 A F E - B 0 97A 2 68,-2.2 68,-2.5 -2,-0.3 2,-0.4 -0.989 8.5-153.4-131.5 137.5 12.8 4.3 18.5 30 30 A T E -aB 4 96A 33 -27,-2.6 -25,-1.8 -2,-0.4 2,-0.5 -0.905 5.7-163.5-117.9 131.6 9.7 4.3 16.3 31 31 A V E -aB 5 95A 0 64,-2.6 64,-1.8 -2,-0.4 2,-0.7 -0.967 8.0-160.4-111.3 120.0 7.9 7.1 14.5 32 32 A N E -aB 6 94A 50 -27,-3.1 -25,-2.6 -2,-0.5 2,-0.4 -0.887 14.3-165.4-102.1 103.6 4.4 6.3 13.3 33 33 A L E +aB 7 93A 2 60,-2.8 60,-2.1 -2,-0.7 2,-0.3 -0.756 11.9 171.1 -97.5 133.1 3.5 8.8 10.6 34 34 A S E -aB 8 92A 41 -27,-2.3 -25,-2.3 -2,-0.4 58,-0.2 -0.891 26.0-137.9-134.5 166.5 -0.1 9.4 9.3 35 35 A H - 0 0 6 56,-1.0 55,-1.7 -2,-0.3 56,-0.3 -0.733 15.0-165.8-131.2 84.0 -1.8 11.9 7.0 36 36 A P + 0 0 46 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.256 57.1 47.8 -53.3 155.9 -5.2 13.1 8.1 37 37 A G S S- 0 0 48 -27,-0.2 53,-0.2 1,-0.1 -2,-0.1 -0.650 88.9 -91.0 107.8-165.1 -7.0 14.9 5.4 38 38 A N S S+ 0 0 137 -2,-0.2 -1,-0.1 51,-0.1 -28,-0.0 0.217 74.1 118.5-137.4 10.7 -7.8 14.1 1.7 39 39 A L - 0 0 57 -3,-0.2 50,-2.4 5,-0.1 2,-0.0 -0.703 60.2-126.9 -83.5 132.8 -5.0 15.6 -0.4 40 40 A P >> - 0 0 61 0, 0.0 4,-2.6 0, 0.0 3,-1.4 -0.226 27.4 -94.7 -77.6 170.4 -3.0 13.0 -2.3 41 41 A K H 3> S+ 0 0 87 1,-0.3 4,-1.4 2,-0.2 46,-0.1 0.783 121.2 56.6 -53.6 -37.6 0.7 12.4 -2.3 42 42 A N H 34 S+ 0 0 110 2,-0.2 -1,-0.3 1,-0.2 26,-0.1 0.741 117.1 33.9 -73.5 -20.0 1.4 14.6 -5.4 43 43 A V H <4 S+ 0 0 85 -3,-1.4 -2,-0.2 1,-0.0 -1,-0.2 0.839 142.5 1.0 -97.8 -44.9 -0.3 17.6 -3.9 44 44 A M H < S+ 0 0 22 -4,-2.6 -2,-0.2 2,-0.1 -3,-0.2 -0.279 78.6 161.3-147.3 49.5 0.5 17.4 -0.2 45 45 A G < - 0 0 3 -4,-1.4 2,-0.3 43,-0.1 43,-0.2 -0.502 18.6-164.9 -70.4 146.5 2.6 14.3 0.4 46 46 A H B -H 87 0D 0 41,-2.1 41,-3.0 -2,-0.1 2,-0.3 -0.957 11.5-178.6-127.7 151.4 4.6 14.3 3.7 47 47 A N - 0 0 0 -2,-0.3 2,-0.4 39,-0.2 67,-0.2 -0.867 25.3-125.1-133.3 175.5 7.5 12.3 5.0 48 48 A W + 0 0 0 -2,-0.3 36,-2.2 37,-0.3 2,-0.4 -0.997 32.0 176.2-125.1 123.3 9.4 12.2 8.3 49 49 A V E -EF 83 111C 0 62,-1.9 62,-1.7 -2,-0.4 2,-0.4 -0.970 14.4-155.6-133.8 137.6 13.2 12.6 8.1 50 50 A L E +EF 82 110C 0 32,-2.3 31,-3.0 -2,-0.4 32,-0.8 -0.976 27.4 140.1-121.3 133.3 15.8 12.9 10.8 51 51 A S E - F 0 109C 0 58,-2.0 58,-2.5 -2,-0.4 29,-0.1 -0.893 56.2 -74.1-150.2 174.2 19.2 14.5 10.5 52 52 A T E >> - F 0 108C 21 27,-0.4 4,-1.1 -2,-0.3 3,-0.5 -0.408 48.7-111.1 -64.3 156.3 21.5 16.7 12.6 53 53 A A H 3> S+ 0 0 4 54,-2.9 4,-0.5 1,-0.2 3,-0.5 0.914 119.3 53.0 -55.7 -41.0 20.4 20.4 12.9 54 54 A A H 34 S+ 0 0 59 53,-0.3 4,-0.3 129,-0.3 -1,-0.2 0.738 109.2 47.5 -66.2 -29.9 23.4 21.4 10.7 55 55 A D H <> S+ 0 0 56 -3,-0.5 4,-2.2 1,-0.1 3,-0.2 0.619 88.5 87.6 -88.8 -18.2 22.5 18.9 7.9 56 56 A M H X S+ 0 0 1 -4,-1.1 4,-2.6 -3,-0.5 5,-0.2 0.906 84.4 51.8 -48.5 -57.3 18.8 19.8 7.6 57 57 A Q H X S+ 0 0 69 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.896 113.5 46.3 -49.4 -45.2 19.1 22.7 5.1 58 58 A G H > S+ 0 0 21 -4,-0.3 4,-2.8 -3,-0.2 5,-0.3 0.918 110.5 49.5 -65.0 -50.2 21.1 20.5 2.8 59 59 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 15,-0.3 0.912 115.2 47.3 -53.2 -46.2 18.9 17.4 2.9 60 60 A V H X S+ 0 0 32 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.954 113.4 45.8 -63.1 -53.2 15.8 19.7 2.3 61 61 A T H X S+ 0 0 70 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.920 118.3 42.4 -56.8 -50.2 17.5 21.6 -0.7 62 62 A D H X S+ 0 0 50 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.868 112.4 55.5 -65.5 -39.2 18.7 18.3 -2.3 63 63 A G H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.912 106.7 48.5 -57.6 -48.8 15.5 16.6 -1.6 64 64 A M H < S+ 0 0 106 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 112.4 49.9 -59.2 -38.9 13.4 19.2 -3.4 65 65 A A H < S+ 0 0 81 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 104.9 57.9 -67.2 -37.0 15.8 19.0 -6.3 66 66 A S H < S- 0 0 30 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.797 105.7-149.0 -64.9 -33.4 15.5 15.2 -6.3 67 67 A G ><> - 0 0 19 -4,-1.5 5,-2.3 1,-0.2 3,-1.1 0.022 23.8 -60.1 90.0 169.7 11.7 15.7 -6.8 68 68 A L G > 5S+ 0 0 46 1,-0.3 3,-2.3 3,-0.2 -1,-0.2 0.832 124.2 60.5 -60.8 -38.8 8.4 13.9 -5.9 69 69 A D G 3 5S+ 0 0 159 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.719 105.9 49.7 -71.1 -15.8 9.1 10.7 -7.7 70 70 A K G X 5S- 0 0 120 -3,-1.1 3,-1.3 -4,-0.2 -1,-0.3 0.091 122.7-107.9 -99.6 22.0 12.2 10.2 -5.4 71 71 A D T < 5 - 0 0 46 -3,-2.3 -3,-0.2 1,-0.2 42,-0.2 0.744 65.0 -72.1 58.2 23.6 10.0 11.0 -2.4 72 72 A Y T 3 - 0 0 108 -2,-0.4 3,-1.4 -15,-0.3 -11,-0.1 -0.541 46.2-104.1 -63.3 125.7 18.4 12.6 -2.7 75 75 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.252 100.5 7.3 -51.1 139.8 19.1 8.9 -3.2 76 76 A D T 3 S+ 0 0 161 1,-0.2 2,-0.7 -3,-0.1 -2,-0.0 0.759 81.5 175.1 58.3 30.6 21.8 7.6 -0.8 77 77 A D X - 0 0 22 -3,-1.4 3,-1.2 1,-0.2 -1,-0.2 -0.583 17.9-163.1 -68.8 110.4 21.9 10.8 1.2 78 78 A S T 3 S+ 0 0 123 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.578 83.8 68.8 -75.7 -10.7 24.3 10.0 4.1 79 79 A R T 3 S+ 0 0 62 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.4 0.695 79.6 92.2 -76.0 -20.5 23.0 12.9 6.1 80 80 A V < - 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