==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 26-MAR-97 1AG0 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.FAHAM,D.C.REES . 256 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 65.2 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 . 50 19.5 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 . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 10.2 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 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 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 2 A A 0 0 93 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 -82.3 16.2 65.0 -1.1 2 3 A E + 0 0 139 1,-0.1 21,-0.6 24,-0.0 24,-0.2 -0.877 360.0 170.4-102.7 133.4 18.1 62.5 1.1 3 4 A a + 0 0 20 -2,-0.5 27,-2.5 19,-0.1 2,-0.3 0.012 50.9 75.5-133.6 31.3 16.9 58.9 0.9 4 5 A S E -a 30 0A 51 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.985 50.5-174.5-141.0 149.9 19.5 57.0 2.7 5 6 A V E -a 31 0A 33 25,-1.4 27,-2.7 -2,-0.3 2,-0.8 -0.994 21.8-136.1-147.9 140.7 20.2 56.5 6.5 6 7 A D E -a 32 0A 106 -2,-0.3 2,-0.5 25,-0.2 27,-0.2 -0.826 24.7-174.4-103.3 98.4 23.0 54.8 8.4 7 8 A I E -a 33 0A 0 25,-1.4 27,-1.2 -2,-0.8 2,-0.3 -0.798 8.1-160.0 -93.3 127.0 21.5 52.9 11.3 8 9 A Q E -a 34 0A 74 -2,-0.5 8,-1.2 25,-0.2 2,-0.4 -0.734 12.0-163.9-110.6 155.9 23.9 51.2 13.8 9 10 A G B -C 15 0B 0 25,-1.6 6,-0.2 -2,-0.3 2,-0.2 -0.986 17.1-170.7-138.1 124.6 23.6 48.4 16.3 10 11 A N > - 0 0 40 4,-1.5 3,-1.7 -2,-0.4 4,-0.3 -0.508 41.5 -95.3-112.6-178.9 26.2 47.9 19.1 11 12 A D T 3 S+ 0 0 36 25,-0.4 26,-0.1 1,-0.3 -1,-0.0 0.627 117.6 68.6 -66.8 -13.5 27.3 45.4 21.8 12 13 A Q T 3 S- 0 0 128 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.299 114.7-114.3 -89.7 9.7 25.2 47.5 24.2 13 14 A M S < S+ 0 0 27 -3,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.912 75.0 118.5 59.7 48.4 22.0 46.3 22.5 14 15 A Q - 0 0 85 -4,-0.3 -4,-1.5 107,-0.1 -1,-0.2 -1.000 61.4-124.3-148.5 145.0 21.1 49.8 21.2 15 16 A F B -C 9 0B 21 105,-0.6 -6,-0.2 -2,-0.3 107,-0.1 -0.531 23.4-129.9 -80.4 149.8 20.4 51.6 17.8 16 17 A N S S+ 0 0 90 -8,-1.2 2,-0.3 -2,-0.2 -1,-0.1 0.583 92.9 28.8 -78.2 -7.4 22.5 54.7 17.2 17 18 A T - 0 0 39 -9,-0.3 -2,-0.1 1,-0.0 3,-0.1 -0.948 57.7-161.4-144.6 162.5 19.2 56.5 16.3 18 19 A N S S+ 0 0 116 -2,-0.3 106,-1.3 1,-0.2 2,-0.3 0.211 73.0 47.3-133.8 13.9 15.6 56.2 17.3 19 20 A A E -d 124 0C 49 104,-0.2 2,-0.4 90,-0.0 -1,-0.2 -0.955 52.7-172.8-158.9 136.7 13.7 58.1 14.5 20 21 A I E -d 125 0C 6 104,-3.1 106,-3.7 -2,-0.3 2,-0.5 -0.992 6.0-164.0-131.5 137.1 13.8 58.1 10.7 21 22 A T E -d 126 0C 85 -2,-0.4 2,-0.6 104,-0.3 106,-0.2 -0.992 11.2-151.6-121.6 126.3 11.9 60.5 8.5 22 23 A V E -d 127 0C 0 104,-4.1 106,-1.1 -2,-0.5 2,-0.4 -0.895 17.9-124.5-105.4 123.6 11.6 59.6 4.9 23 24 A D > - 0 0 59 -21,-0.6 3,-2.9 -2,-0.6 76,-0.1 -0.490 10.3-142.7 -65.6 118.2 11.3 62.4 2.4 24 25 A K T 3 S+ 0 0 102 -2,-0.4 -1,-0.2 1,-0.3 75,-0.0 0.780 100.2 70.7 -51.4 -27.6 8.1 61.8 0.3 25 26 A S T 3 S+ 0 0 84 -23,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.786 79.2 96.9 -61.2 -28.6 10.2 63.2 -2.6 26 27 A a < - 0 0 3 -3,-2.9 3,-0.1 -24,-0.2 -24,-0.0 -0.381 58.9-163.3 -63.6 139.3 12.2 59.9 -2.5 27 28 A K S S+ 0 0 133 1,-0.2 72,-1.2 71,-0.1 73,-0.4 0.780 82.3 8.0 -90.2 -33.2 11.0 57.3 -4.9 28 29 A Q E S- B 0 98A 79 70,-0.3 2,-0.3 71,-0.1 70,-0.2 -0.814 71.2-152.1-136.3 173.9 12.9 54.7 -2.9 29 30 A F E - B 0 97A 6 68,-2.4 68,-2.0 -2,-0.3 2,-0.4 -0.958 5.9-164.5-155.5 132.6 14.7 54.7 0.4 30 31 A T E -aB 4 96A 24 -27,-2.5 -25,-1.4 -2,-0.3 2,-0.4 -0.940 4.1-162.6-125.0 146.7 17.6 52.7 1.8 31 32 A V E -aB 5 95A 0 64,-1.8 64,-1.6 -2,-0.4 2,-0.5 -0.963 12.2-147.1-123.2 138.6 19.0 52.1 5.3 32 33 A N E -aB 6 94A 48 -27,-2.7 -25,-1.4 -2,-0.4 2,-0.5 -0.947 12.5-162.1-111.0 122.9 22.5 50.7 5.9 33 34 A L E +aB 7 93A 1 60,-4.5 60,-2.5 -2,-0.5 2,-0.3 -0.908 13.3 171.2-111.3 126.5 22.9 48.6 9.0 34 35 A S E -aB 8 92A 34 -27,-1.2 -25,-1.6 -2,-0.5 58,-0.2 -0.872 28.1-135.1-127.5 162.9 26.3 47.9 10.5 35 36 A H - 0 0 6 56,-2.0 55,-2.9 -2,-0.3 2,-1.5 -0.822 16.9-180.0-123.0 89.8 27.4 46.2 13.7 36 37 A P + 0 0 65 0, 0.0 -25,-0.4 0, 0.0 -26,-0.1 -0.229 56.3 100.1 -81.9 48.6 30.2 48.1 15.6 37 38 A G S S- 0 0 9 -2,-1.5 -27,-0.1 -27,-0.2 -2,-0.1 0.010 71.3-136.2-107.2-144.5 30.2 45.5 18.2 38 39 A N S S+ 0 0 137 2,-0.1 -1,-0.0 51,-0.1 -28,-0.0 0.266 71.0 102.0-153.3 -19.7 32.4 42.5 19.1 39 40 A L S S- 0 0 53 1,-0.1 50,-1.9 2,-0.1 -2,-0.1 -0.637 74.5-113.9 -82.3 128.0 29.7 39.9 19.9 40 41 A P >> - 0 0 66 0, 0.0 4,-2.1 0, 0.0 3,-0.9 0.058 33.5 -95.4 -53.4 165.6 28.8 37.3 17.2 41 42 A K T 34 S+ 0 0 78 1,-0.2 -2,-0.1 2,-0.2 46,-0.0 0.645 122.7 53.3 -60.2 -21.6 25.5 37.1 15.4 42 43 A N T 34 S+ 0 0 83 2,-0.1 -1,-0.2 3,-0.1 3,-0.2 0.734 119.3 33.9 -87.3 -24.3 24.0 34.4 17.8 43 44 A V T <4 S+ 0 0 16 -3,-0.9 2,-0.9 1,-0.2 -2,-0.2 0.914 134.3 21.9 -89.5 -70.6 24.8 36.5 20.8 44 45 A M S < S+ 0 0 3 -4,-2.1 2,-0.8 2,-0.0 45,-0.2 -0.578 82.4 179.6 -99.7 68.8 24.3 40.1 19.7 45 46 A G - 0 0 0 -2,-0.9 2,-0.5 -3,-0.2 69,-0.3 -0.617 3.7-176.2 -80.4 110.5 22.1 39.5 16.7 46 47 A H B +H 87 0D 0 41,-2.5 41,-3.3 -2,-0.8 2,-0.3 -0.905 13.9 148.6-115.6 129.5 21.1 42.8 15.0 47 48 A N - 0 0 1 -2,-0.5 2,-0.5 39,-0.3 39,-0.1 -0.825 37.8-124.2-139.3 176.5 18.7 43.4 12.1 48 49 A W - 0 0 0 -2,-0.3 36,-2.6 64,-0.1 2,-0.4 -0.979 28.1-179.0-131.0 117.3 16.4 46.3 11.1 49 50 A V E -EF 83 111C 0 62,-2.7 62,-2.3 -2,-0.5 2,-0.4 -0.943 9.5-157.5-120.1 143.4 12.8 45.5 10.5 50 51 A L E +EF 82 110C 0 32,-3.1 31,-1.4 -2,-0.4 32,-1.0 -0.910 29.4 129.4-119.3 146.1 10.1 47.9 9.3 51 52 A S E - F 0 109C 0 58,-1.5 58,-3.0 -2,-0.4 29,-0.1 -0.919 59.2 -76.3 179.3 163.1 6.3 47.5 9.8 52 53 A T E > - F 0 108C 24 27,-0.5 4,-0.6 -2,-0.3 3,-0.4 -0.238 46.0-110.9 -68.8 165.3 3.4 49.5 11.1 53 54 A A H >> S+ 0 0 44 54,-1.7 3,-0.9 1,-0.2 4,-0.6 0.874 114.0 66.5 -67.1 -36.5 3.1 49.9 14.9 54 55 A A H 34 S+ 0 0 89 53,-0.3 4,-0.3 1,-0.3 3,-0.3 0.873 113.3 31.9 -52.2 -38.6 -0.0 47.7 14.9 55 56 A D H 3> S+ 0 0 53 -3,-0.4 4,-1.7 1,-0.2 5,-0.4 0.438 88.4 100.4-100.0 -0.8 2.1 44.8 13.9 56 57 A M H X S+ 0 0 121 -4,-0.6 4,-2.2 -3,-0.3 3,-1.0 1.000 111.7 40.8 -68.5 -72.5 4.3 43.3 18.3 58 59 A G H 3>>S+ 0 0 20 -4,-0.3 4,-2.0 1,-0.3 5,-0.6 0.911 112.7 54.4 -41.6 -61.9 3.4 40.1 16.5 59 60 A V H 3X5S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.3 15,-0.4 0.847 111.5 48.3 -43.0 -39.9 6.2 40.4 14.0 60 61 A V H X5S+ 0 0 73 -4,-2.2 3,-3.0 -3,-0.4 4,-2.2 0.999 114.9 44.7 -64.8 -68.4 6.9 37.6 18.8 62 63 A D H 3X5S+ 0 0 50 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.762 110.9 59.0 -47.3 -28.2 6.6 35.2 15.8 63 64 A G H 3<>> - 0 0 18 6,-0.2 3,-4.0 47,-0.0 5,-1.8 -0.751 32.1 -57.9-142.5-170.3 15.3 31.1 15.3 68 69 A L G >45S+ 0 0 54 1,-0.3 3,-1.3 -2,-0.2 18,-0.1 0.807 129.1 52.7 -38.7 -43.5 18.8 32.0 14.4 69 70 A D G 345S+ 0 0 137 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.611 110.0 49.1 -72.5 -11.7 18.4 30.1 11.1 70 71 A K G X45S- 0 0 78 -3,-4.0 3,-1.1 -7,-0.1 -1,-0.3 0.338 116.1-113.2-106.4 4.6 15.3 32.0 10.3 71 72 A D T <<5 - 0 0 45 -3,-1.3 -3,-0.2 -4,-0.6 42,-0.2 0.695 61.9 -78.5 68.2 20.3 16.9 35.4 11.0 72 73 A Y T 3 - 0 0 74 -2,-0.4 3,-0.7 -15,-0.4 2,-0.2 -0.362 39.1-109.8 -63.1 139.9 8.9 34.4 10.8 75 76 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.540 97.5 15.6 -75.0 140.5 9.0 33.2 7.1 76 77 A D T 3 S+ 0 0 159 1,-0.2 2,-0.9 -2,-0.2 -2,-0.1 0.895 79.4 168.5 63.0 46.2 6.3 34.7 4.8 77 78 A D X - 0 0 15 -3,-0.7 3,-1.1 1,-0.2 -1,-0.2 -0.791 18.4-174.9 -91.8 101.8 5.5 37.5 7.2 78 79 A S T 3 S+ 0 0 119 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.0 0.579 76.2 76.5 -72.7 -8.9 3.4 40.0 5.2 79 80 A R T 3 S+ 0 0 52 -24,-0.1 2,-0.5 -28,-0.1 -27,-0.5 0.777 78.3 81.3 -72.3 -28.8 3.4 42.3 8.2 80 81 A V < - 0 0 22 -3,-1.1 -29,-0.2 1,-0.2 3,-0.1 -0.715 56.1-172.1 -87.7 124.7 7.0 43.4 7.5 81 82 A I S S- 0 0 38 -31,-1.4 2,-0.3 -2,-0.5 -30,-0.2 0.722 74.1 -10.3 -81.4 -30.4 7.3 46.1 4.8 82 83 A A E +E 50 0C 9 -32,-1.0 -32,-3.1 15,-0.1 -1,-0.3 -0.965 66.3 179.6-165.8 157.4 11.0 45.9 4.7 83 84 A H E -E 49 0C 82 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.1 -0.978 21.2-136.2-166.5 152.3 13.9 44.3 6.6 84 85 A T - 0 0 1 -36,-2.6 2,-0.4 -2,-0.3 -37,-0.1 -0.240 42.6 -96.9 -93.5-175.1 17.6 43.9 6.7 85 86 A K - 0 0 87 -2,-0.1 -39,-0.1 -39,-0.1 -14,-0.1 -0.922 45.6 -95.0-110.1 140.4 19.2 40.5 7.4 86 87 A L - 0 0 2 -2,-0.4 2,-0.3 -39,-0.1 -39,-0.3 -0.303 53.7-172.2 -53.7 124.9 20.2 39.7 11.0 87 88 A I B -H 46 0D 0 -41,-3.3 -41,-2.5 4,-0.1 2,-0.2 -0.868 16.7-141.3-125.7 158.3 23.9 40.5 11.3 88 89 A G > - 0 0 1 -2,-0.3 3,-2.6 1,-0.2 -53,-0.2 -0.689 50.3 -57.2-111.6 166.4 26.7 40.1 13.8 89 90 A S T 3 S+ 0 0 37 -50,-1.9 -1,-0.2 1,-0.3 -48,-0.2 -0.017 125.9 25.7 -42.1 139.6 29.5 42.4 14.9 90 91 A G T 3 S+ 0 0 65 -55,-2.9 -1,-0.3 1,-0.3 2,-0.1 0.109 102.9 108.5 90.9 -22.1 31.7 43.4 11.9 91 92 A E < - 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