==== 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 3FSZ . 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) . 12248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.6 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 . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 11.6 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 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 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 0.000 360.0 360.0 360.0 126.3 -23.1 4.0 8.0 2 2 A E + 0 0 160 1,-0.1 21,-0.9 24,-0.0 24,-0.1 -0.897 360.0 170.1 -97.8 108.9 -22.5 5.7 4.6 3 3 A a + 0 0 43 -2,-0.7 27,-2.2 19,-0.1 2,-0.3 0.242 51.8 49.8-112.7 12.7 -19.0 4.6 3.7 4 4 A S E -a 30 0A 68 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.919 54.6-162.4-140.5 168.0 -18.7 5.8 0.1 5 5 A V E -a 31 0A 34 25,-2.0 27,-2.9 -2,-0.3 2,-0.6 -0.969 14.4-141.2-149.3 140.7 -19.1 8.9 -2.1 6 6 A D E -a 32 0A 110 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.920 25.4-175.5-102.7 121.2 -19.5 9.3 -5.8 7 7 A I E -a 33 0A 0 25,-2.4 27,-2.1 -2,-0.6 2,-0.4 -0.928 10.0-155.5-121.0 142.9 -17.7 12.4 -7.1 8 8 A Q E -a 34 0A 89 -2,-0.4 8,-1.6 25,-0.2 2,-0.5 -0.948 4.4-164.1-116.6 136.0 -17.6 13.9 -10.6 9 9 A G B -C 15 0B 0 25,-2.2 6,-0.2 -2,-0.4 37,-0.1 -0.991 22.8-160.1-115.2 127.8 -15.0 16.1 -12.2 10 10 A N > - 0 0 34 4,-2.1 3,-1.2 -2,-0.5 4,-0.2 -0.241 34.6 -95.1-104.6-177.0 -16.2 17.8 -15.4 11 11 A D T 3 S+ 0 0 20 1,-0.3 26,-0.1 25,-0.1 -1,-0.0 0.665 118.2 64.4 -71.3 -15.1 -14.8 19.6 -18.5 12 12 A Q T 3 S- 0 0 132 2,-0.1 -1,-0.3 32,-0.0 25,-0.0 0.166 118.2-105.3 -95.2 16.3 -15.1 22.9 -16.7 13 13 A M S < S+ 0 0 50 -3,-1.2 2,-0.3 1,-0.2 -2,-0.1 0.900 78.7 120.2 62.8 44.5 -12.5 22.1 -14.0 14 14 A Q - 0 0 98 -4,-0.2 -4,-2.1 108,-0.1 2,-0.3 -0.995 55.0-138.6-137.4 148.6 -14.9 21.5 -11.1 15 15 A F B -C 9 0B 13 -2,-0.3 -6,-0.2 106,-0.3 108,-0.1 -0.709 24.9-128.2 -87.4 152.3 -15.9 18.7 -8.7 16 16 A N S S+ 0 0 91 -8,-1.6 2,-0.3 -2,-0.3 -7,-0.1 0.227 91.6 47.7 -89.3 16.3 -19.6 18.3 -7.9 17 17 A T - 0 0 36 -9,-0.2 -2,-0.1 106,-0.1 106,-0.1 -0.985 49.9-172.6-149.9 152.2 -18.8 18.5 -4.2 18 18 A N S S+ 0 0 50 -2,-0.3 107,-2.2 1,-0.2 2,-0.3 0.350 79.1 42.6-114.2 -2.7 -16.7 20.7 -1.8 19 19 A A E -d 125 0C 34 105,-0.3 2,-0.4 90,-0.1 -1,-0.2 -0.948 59.7-165.0-154.7 122.2 -17.1 18.5 1.3 20 20 A I E -d 126 0C 3 105,-3.0 107,-2.8 -2,-0.3 2,-0.4 -0.945 10.0-153.8-112.1 133.3 -16.9 14.8 2.0 21 21 A T E -d 127 0C 65 -2,-0.4 2,-0.5 105,-0.2 107,-0.2 -0.874 2.4-161.0-101.7 134.1 -18.1 13.2 5.3 22 22 A V E -d 128 0C 0 105,-2.7 107,-2.7 -2,-0.4 2,-0.1 -0.962 19.1-133.9-116.2 108.8 -16.6 10.0 6.6 23 23 A D > - 0 0 53 -21,-0.9 3,-1.6 -2,-0.5 105,-0.1 -0.397 14.3-140.5 -48.6 122.5 -18.8 8.1 9.1 24 24 A K T 3 S+ 0 0 137 105,-2.8 -1,-0.1 1,-0.3 104,-0.0 0.667 99.2 68.0 -74.9 -8.5 -16.3 7.2 11.9 25 25 A S T 3 S+ 0 0 84 104,-0.3 -1,-0.3 74,-0.0 2,-0.2 0.658 81.0 103.8 -71.3 -18.0 -18.1 3.8 12.3 26 26 A a < - 0 0 6 -3,-1.6 3,-0.1 1,-0.2 73,-0.1 -0.448 56.2-164.9 -65.4 133.9 -16.7 3.0 8.8 27 27 A K S S+ 0 0 178 1,-0.3 72,-2.2 -2,-0.2 73,-0.5 0.830 81.3 16.4 -81.7 -39.8 -13.7 0.7 8.7 28 28 A Q E - B 0 98A 110 70,-0.2 2,-0.4 71,-0.1 -1,-0.3 -0.948 69.7-151.5-131.0 153.0 -13.0 1.7 5.1 29 29 A F E - B 0 97A 1 68,-2.4 68,-2.3 -2,-0.3 2,-0.5 -0.987 10.0-154.9-128.0 137.6 -14.1 4.6 2.9 30 30 A T E -aB 4 96A 32 -27,-2.2 -25,-2.0 -2,-0.4 2,-0.6 -0.938 5.1-161.2-119.5 127.2 -14.5 4.5 -0.9 31 31 A V E -aB 5 95A 0 64,-2.8 64,-1.9 -2,-0.5 2,-0.7 -0.931 7.0-161.6-104.7 121.9 -14.3 7.4 -3.4 32 32 A N E -aB 6 94A 52 -27,-2.9 -25,-2.4 -2,-0.6 2,-0.4 -0.896 12.3-166.1-103.6 103.8 -15.9 6.7 -6.8 33 33 A L E +aB 7 93A 2 60,-2.9 60,-2.3 -2,-0.7 2,-0.3 -0.763 11.8 170.5 -94.5 131.7 -14.6 9.2 -9.3 34 34 A S E -aB 8 92A 43 -27,-2.1 -25,-2.2 -2,-0.4 58,-0.2 -0.874 24.3-140.4-131.7 168.4 -16.1 9.7 -12.8 35 35 A H - 0 0 6 56,-1.0 55,-1.9 -2,-0.3 56,-0.2 -0.758 13.6-167.2-137.5 84.5 -15.6 12.3 -15.5 36 36 A P + 0 0 51 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.326 52.7 53.3 -61.1 155.7 -18.7 13.6 -17.4 37 37 A G S S- 0 0 41 -27,-0.1 -2,-0.1 1,-0.1 53,-0.0 -0.710 88.5 -85.0 115.9-164.2 -17.9 15.6 -20.5 38 38 A N S S+ 0 0 142 -2,-0.2 -1,-0.1 51,-0.1 -28,-0.0 0.509 79.0 111.4-121.7 -16.3 -15.9 15.2 -23.8 39 39 A L - 0 0 57 -3,-0.2 50,-2.1 1,-0.1 0, 0.0 -0.479 60.4-128.7 -79.3 130.7 -12.3 16.2 -22.9 40 40 A P >> - 0 0 60 0, 0.0 4,-3.0 0, 0.0 3,-1.4 -0.119 29.2 -94.8 -71.6 171.2 -9.6 13.6 -22.8 41 41 A K H 3> S+ 0 0 91 1,-0.3 4,-1.2 2,-0.2 46,-0.1 0.839 122.1 53.1 -50.3 -44.6 -7.0 12.9 -20.0 42 42 A N H 34 S+ 0 0 113 2,-0.2 -1,-0.3 1,-0.2 26,-0.1 0.624 118.3 36.0 -73.5 -13.2 -4.3 15.1 -21.5 43 43 A V H <4 S+ 0 0 82 -3,-1.4 -2,-0.2 1,-0.0 -1,-0.2 0.824 141.5 1.1-102.0 -48.5 -6.6 18.1 -21.8 44 44 A M H < S+ 0 0 23 -4,-3.0 2,-0.2 2,-0.0 -2,-0.2 -0.386 79.4 163.2-144.2 53.8 -8.8 17.9 -18.7 45 45 A G < - 0 0 4 -4,-1.2 2,-0.3 43,-0.1 43,-0.2 -0.586 17.3-163.7 -78.5 140.1 -7.7 14.8 -16.7 46 46 A H B -H 87 0D 1 41,-2.4 41,-3.1 -2,-0.2 2,-0.3 -0.925 12.0-179.7-122.8 147.3 -8.8 14.7 -13.0 47 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.2 67,-0.1 -0.884 25.7-127.0-130.4 171.8 -7.8 12.7 -10.0 48 48 A W - 0 0 0 -2,-0.3 36,-2.2 37,-0.2 2,-0.4 -0.994 31.8-179.5-117.8 122.8 -8.9 12.5 -6.4 49 49 A V E -EF 83 111C 0 62,-2.2 62,-1.7 -2,-0.5 2,-0.5 -0.980 13.1-154.2-128.6 134.2 -6.1 13.0 -3.9 50 50 A L E +EF 82 110C 0 32,-3.2 31,-2.2 -2,-0.4 32,-0.9 -0.930 29.0 135.9-111.5 132.3 -6.3 12.9 -0.0 51 51 A S E - F 0 109C 0 58,-2.2 58,-3.0 -2,-0.5 29,-0.1 -0.937 56.3 -77.5-150.4 175.0 -3.9 14.7 2.3 52 52 A T E > - F 0 108C 22 27,-0.4 4,-1.0 -2,-0.3 3,-0.3 -0.446 47.9-112.2 -66.0 153.0 -3.7 16.8 5.5 53 53 A A H >> S+ 0 0 3 54,-2.4 3,-0.8 1,-0.2 4,-0.5 0.915 118.2 53.4 -50.1 -48.5 -4.6 20.5 4.9 54 54 A A H 34 S+ 0 0 59 53,-0.3 4,-0.4 129,-0.2 3,-0.2 0.816 110.3 47.3 -60.0 -33.1 -1.0 21.5 5.6 55 55 A D H 3> S+ 0 0 57 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.609 87.0 87.1 -86.2 -15.4 0.4 19.0 3.1 56 56 A M H S+ 0 0 21 -4,-0.4 4,-2.8 2,-0.2 5,-0.3 0.910 111.2 51.1 -58.6 -49.4 3.4 20.6 -1.3 59 59 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 15,-0.3 0.918 114.1 45.9 -53.7 -46.1 1.7 17.6 -2.9 60 60 A V H X S+ 0 0 31 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.920 113.9 47.3 -65.1 -47.6 0.3 19.8 -5.6 61 61 A T H X S+ 0 0 72 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.935 117.4 41.3 -59.6 -52.6 3.6 21.7 -6.3 62 62 A D H X S+ 0 0 59 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.839 114.2 53.9 -65.8 -36.1 5.7 18.4 -6.4 63 63 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.842 103.9 55.4 -65.4 -38.3 2.9 16.7 -8.4 64 64 A M H < S+ 0 0 111 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.934 110.2 45.7 -57.8 -46.1 3.0 19.6 -10.9 65 65 A A H < S+ 0 0 85 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.835 107.9 56.5 -67.3 -35.1 6.8 19.0 -11.4 66 66 A S H < S- 0 0 40 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.834 102.9-168.7 -65.1 -34.8 6.2 15.2 -11.7 67 67 A G ><> - 0 0 16 -4,-1.8 5,-2.9 1,-0.2 3,-1.2 0.039 27.9 -40.7 81.7-177.3 3.8 15.9 -14.5 68 68 A L G > 5S+ 0 0 55 1,-0.3 3,-2.1 3,-0.2 -1,-0.2 0.836 124.9 54.7 -59.5 -46.2 1.2 14.3 -16.7 69 69 A D G 3 5S+ 0 0 160 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.586 110.0 50.1 -71.8 -9.2 2.8 10.9 -17.4 70 70 A K G X 5S- 0 0 123 -3,-1.2 3,-1.0 -4,-0.2 -1,-0.3 0.141 122.6-107.7-105.2 16.0 3.1 10.4 -13.7 71 71 A D T < 5 - 0 0 44 -3,-2.1 -3,-0.2 1,-0.2 42,-0.2 0.779 65.4 -72.5 58.9 31.0 -0.6 11.4 -13.2 72 72 A Y T 3 - 0 0 102 -2,-0.4 3,-1.7 -15,-0.3 -11,-0.1 -0.599 51.7-106.2 -63.4 122.4 5.2 12.6 -7.0 75 75 A P T 3 S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.312 98.4 3.4 -56.5 135.4 5.5 8.8 -7.0 76 76 A D T 3 S- 0 0 163 1,-0.2 -2,-0.0 2,-0.1 2,-0.0 0.637 85.0-177.2 62.6 18.4 5.3 7.2 -3.6 77 77 A D X - 0 0 20 -3,-1.7 3,-1.2 1,-0.2 -1,-0.2 -0.275 20.7-150.0 -49.9 117.1 4.6 10.7 -2.0 78 78 A S T 3 S+ 0 0 125 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.687 92.2 63.5 -66.1 -22.5 4.3 10.0 1.8 79 79 A R T 3 S+ 0 0 59 -24,-0.1 2,-0.9 -28,-0.1 -27,-0.4 0.630 80.7 93.1 -77.7 -16.2 1.9 12.9 2.2 80 80 A V < - 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