==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 11-JAN-06 2FNW . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.GRADINARU,B.R.CRANE . 256 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 19.9 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 . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 0 0 0 0 0 0 0 2 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 1 2 1 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 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 0 117 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.4 -9.7 -17.6 -8.8 2 2 A Q + 0 0 125 1,-0.1 21,-0.4 24,-0.0 24,-0.1 -0.688 360.0 168.9 -78.4 126.5 -9.7 -14.3 -7.0 3 3 A a + 0 0 41 -2,-0.4 27,-2.1 19,-0.1 2,-0.3 -0.167 57.3 58.6-126.8 26.9 -6.8 -12.0 -8.1 4 4 A S E -a 30 0A 37 25,-0.2 2,-0.3 92,-0.1 27,-0.2 -0.977 57.8-157.0-148.0 166.2 -7.8 -8.8 -6.4 5 5 A V E -a 31 0A 34 25,-2.2 27,-2.6 -2,-0.3 2,-0.5 -0.978 12.8-140.8-142.6 146.2 -8.5 -7.5 -2.9 6 6 A D E -a 32 0A 117 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.932 25.9-178.0-107.8 126.9 -10.6 -4.5 -1.7 7 7 A I E -a 33 0A 1 25,-2.7 27,-2.4 -2,-0.5 2,-0.4 -0.931 13.9-150.6-129.3 144.3 -9.0 -2.5 1.2 8 8 A Q E -a 34 0A 88 -2,-0.4 8,-1.6 25,-0.2 2,-0.5 -0.947 5.8-168.0-113.4 135.0 -10.3 0.5 3.1 9 9 A G B -C 15 0B 0 25,-2.9 6,-0.2 -2,-0.4 2,-0.1 -0.999 25.3-171.8-114.0 128.4 -8.2 3.1 4.8 10 10 A N > - 0 0 49 4,-1.8 3,-1.4 -2,-0.5 4,-0.3 -0.437 40.1 -89.4-118.0-173.4 -10.4 5.3 7.1 11 11 A D T 3 S+ 0 0 11 1,-0.3 26,-0.1 25,-0.2 34,-0.0 0.556 117.6 67.7 -79.3 -0.1 -10.2 8.4 9.2 12 12 A Q T 3 S- 0 0 104 2,-0.2 -1,-0.3 156,-0.1 3,-0.1 0.129 116.8-109.3 -98.0 17.9 -9.1 6.4 12.2 13 13 A M S < S+ 0 0 1 -3,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.872 76.3 129.4 56.9 46.2 -5.8 5.7 10.5 14 14 A Q - 0 0 77 -4,-0.3 -4,-1.8 107,-0.1 2,-0.3 -0.981 54.5-142.5-129.8 138.4 -6.5 2.0 9.9 15 15 A F B -C 9 0B 5 -2,-0.4 -6,-0.2 105,-0.4 107,-0.1 -0.714 26.9-130.0 -82.6 152.4 -6.5 -0.4 7.0 16 16 A N S S+ 0 0 93 -8,-1.6 2,-0.3 -2,-0.3 -7,-0.1 0.493 92.4 35.5 -87.6 3.7 -9.4 -2.8 7.3 17 17 A T - 0 0 40 -9,-0.2 3,-0.1 1,-0.0 -2,-0.1 -0.985 54.7-169.6-142.0 150.1 -6.9 -5.7 6.8 18 18 A N S S+ 0 0 77 -2,-0.3 106,-2.4 1,-0.2 2,-0.3 0.170 76.6 53.8-124.4 21.6 -3.3 -6.3 7.9 19 19 A A E -d 124 0C 57 104,-0.3 2,-0.4 90,-0.1 -1,-0.2 -0.890 58.7-176.4-158.1 122.2 -2.7 -9.4 5.8 20 20 A I E -d 125 0C 6 104,-3.0 106,-2.3 -2,-0.3 2,-0.4 -0.964 7.8-159.8-121.5 132.1 -3.0 -10.0 2.2 21 21 A T E -d 126 0C 62 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.917 3.8-156.5-111.3 135.1 -2.5 -13.2 0.3 22 22 A V E -d 127 0C 0 104,-3.5 106,-2.9 -2,-0.4 2,-0.2 -0.929 19.9-127.7-108.4 126.5 -1.8 -13.5 -3.4 23 23 A D > - 0 0 44 -2,-0.5 3,-1.4 -21,-0.4 76,-0.1 -0.509 16.8-138.4 -67.1 131.8 -2.6 -16.7 -5.2 24 24 A K T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.2 103,-0.0 0.736 98.5 65.9 -70.2 -17.0 0.5 -17.7 -7.1 25 25 A S T 3 S+ 0 0 57 2,-0.0 -1,-0.3 74,-0.0 2,-0.2 0.682 78.9 97.2 -78.3 -18.8 -1.6 -18.7 -10.2 26 26 A a < - 0 0 7 -3,-1.4 73,-0.1 1,-0.2 3,-0.1 -0.453 59.7-160.0 -65.9 135.6 -2.7 -15.1 -10.8 27 27 A K S S+ 0 0 147 1,-0.2 72,-2.1 -2,-0.2 73,-0.6 0.850 81.5 23.5 -81.2 -32.8 -0.6 -13.4 -13.4 28 28 A Q E - B 0 98A 91 70,-0.2 2,-0.4 71,-0.1 -1,-0.2 -0.940 69.6-156.6-131.2 155.9 -1.7 -10.0 -12.1 29 29 A F E - B 0 97A 5 68,-2.2 68,-2.4 -2,-0.3 2,-0.4 -1.000 8.2-154.6-135.4 135.8 -3.1 -8.9 -8.8 30 30 A T E -aB 4 96A 30 -27,-2.1 -25,-2.2 -2,-0.4 2,-0.6 -0.927 5.0-162.3-120.5 130.9 -5.2 -5.8 -8.1 31 31 A V E -aB 5 95A 0 64,-3.3 64,-2.6 -2,-0.4 2,-0.7 -0.971 7.2-161.4-110.3 121.4 -5.5 -3.8 -4.9 32 32 A N E -aB 6 94A 38 -27,-2.6 -25,-2.7 -2,-0.6 2,-0.5 -0.909 12.6-167.9-103.1 102.1 -8.6 -1.6 -4.8 33 33 A L E -aB 7 93A 0 60,-2.8 60,-2.7 -2,-0.7 2,-0.4 -0.746 6.7-178.5 -95.4 126.6 -8.0 1.1 -2.1 34 34 A S E -aB 8 92A 35 -27,-2.4 -25,-2.9 -2,-0.5 58,-0.2 -0.922 16.5-152.1-120.5 147.8 -10.9 3.2 -0.9 35 35 A H E - B 0 91A 2 56,-2.7 55,-2.7 -2,-0.4 56,-0.6 -0.674 14.0-172.9-119.6 84.4 -10.8 6.0 1.7 36 36 A P + 0 0 46 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 -0.360 42.6 74.1 -64.4 154.2 -14.1 6.5 3.5 37 37 A G S S- 0 0 45 -27,-0.2 -2,-0.1 1,-0.1 -27,-0.0 -0.872 79.0 -97.8 137.1-163.7 -14.3 9.5 5.8 38 38 A N S S+ 0 0 136 -2,-0.3 -1,-0.1 2,-0.1 50,-0.0 0.324 76.8 107.0-140.0 18.3 -14.6 13.2 5.7 39 39 A L - 0 0 5 5,-0.1 50,-1.9 1,-0.1 102,-0.1 -0.781 68.5-113.9 -98.0 142.5 -11.0 14.5 6.1 40 40 A P >> - 0 0 69 0, 0.0 4,-2.2 0, 0.0 3,-1.3 -0.114 31.7-103.9 -71.7 167.2 -9.0 16.1 3.2 41 41 A K H 3> S+ 0 0 75 1,-0.3 4,-1.7 2,-0.2 46,-0.1 0.795 117.9 60.5 -62.0 -28.4 -6.0 14.4 1.8 42 42 A N H 34 S+ 0 0 84 2,-0.2 -1,-0.3 1,-0.2 206,-0.1 0.616 111.9 38.7 -80.8 -8.4 -3.6 16.8 3.6 43 43 A V H <4 S- 0 0 7 -3,-1.3 -2,-0.2 206,-0.0 -1,-0.2 0.822 141.3 -0.8-101.0 -37.7 -4.9 15.8 7.0 44 44 A M H < S+ 0 0 2 -4,-2.2 -2,-0.2 2,-0.0 -3,-0.2 -0.069 78.1 162.3-148.8 33.6 -5.4 12.1 6.6 45 45 A G < - 0 0 0 -4,-1.7 2,-0.4 -5,-0.1 43,-0.2 -0.259 20.1-159.4 -60.4 144.6 -4.4 11.0 3.1 46 46 A H B +H 87 0D 0 41,-2.3 41,-2.6 -37,-0.1 2,-0.3 -0.978 14.0 177.6-126.9 144.0 -3.8 7.3 2.7 47 47 A N - 0 0 0 -2,-0.4 2,-0.4 39,-0.2 39,-0.1 -0.826 25.6-130.2-129.2 175.2 -1.8 5.2 0.1 48 48 A W + 0 0 0 -2,-0.3 36,-2.3 37,-0.2 2,-0.4 -0.986 30.7 176.6-126.2 120.0 -1.1 1.5 -0.3 49 49 A V E -EF 83 111C 0 62,-2.4 62,-1.6 -2,-0.4 2,-0.4 -0.974 14.0-155.9-130.9 137.1 2.6 0.8 -0.9 50 50 A L E +EF 82 110C 0 32,-2.6 31,-2.5 -2,-0.4 32,-1.1 -0.956 27.8 138.8-118.3 130.6 4.2 -2.7 -1.2 51 51 A S E - F 0 109C 0 58,-2.3 58,-2.7 -2,-0.4 29,-0.1 -0.891 57.8 -73.1-149.9 178.9 7.9 -3.4 -0.6 52 52 A T E > - F 0 108C 20 27,-0.5 4,-1.2 -2,-0.3 3,-0.3 -0.479 47.1-115.5 -70.7 155.6 10.1 -6.0 1.1 53 53 A A H > S+ 0 0 38 54,-2.2 4,-0.6 1,-0.2 3,-0.2 0.844 117.7 54.6 -59.2 -33.7 9.9 -5.9 4.9 54 54 A A H 4 S+ 0 0 91 53,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.787 112.4 42.7 -70.2 -30.4 13.6 -4.9 4.9 55 55 A D H > S+ 0 0 57 -3,-0.3 4,-2.3 1,-0.1 -1,-0.2 0.627 93.8 87.0 -83.5 -16.3 13.0 -2.0 2.5 56 56 A M H X S+ 0 0 21 -4,-1.2 4,-2.7 1,-0.2 5,-0.3 0.917 84.9 48.8 -56.2 -51.8 9.8 -0.8 4.3 57 57 A Q H X S+ 0 0 111 -4,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.933 114.3 48.1 -61.2 -37.7 11.2 1.5 6.9 58 58 A G H > S+ 0 0 26 -4,-0.3 4,-2.5 1,-0.2 5,-0.3 0.889 109.4 52.3 -68.1 -34.6 13.4 3.2 4.3 59 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 15,-0.4 0.930 112.7 45.5 -63.5 -45.2 10.5 3.6 1.9 60 60 A V H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.918 113.5 48.3 -63.9 -44.5 8.5 5.2 4.6 61 61 A T H X S+ 0 0 78 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.942 115.2 44.2 -64.9 -45.6 11.3 7.5 5.8 62 62 A D H X S+ 0 0 57 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.849 111.3 55.8 -65.8 -33.8 12.1 8.6 2.3 63 63 A G H >X S+ 0 0 0 -4,-1.9 4,-1.0 -5,-0.3 3,-0.5 0.947 106.9 47.8 -71.4 -40.6 8.4 9.0 1.5 64 64 A M H >< S+ 0 0 28 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.937 111.4 50.9 -65.2 -31.2 7.9 11.4 4.4 65 65 A A H 3< S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.746 101.2 64.2 -72.9 -21.8 11.0 13.4 3.4 66 66 A S H << S- 0 0 25 -4,-1.2 -1,-0.3 -3,-0.5 4,-0.2 0.715 103.4-146.9 -71.7 -25.9 9.5 13.5 -0.1 67 67 A G X<> - 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