==== 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 ELECTRON TRANSPORT 24-JAN-06 2FTA . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.J.BANFIELD . 491 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 20.6 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 . 4 0.8 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-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 . 42 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 10.2 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 4 0 0 0 0 0 0 2 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 3 1 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 . 8 4 1 6 1 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 3 A a 0 0 92 0, 0.0 27,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 35.1 3.6 -11.3 11.6 2 4 A S E -a 28 0A 71 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.927 360.0-156.1-148.7 171.2 5.4 -9.0 9.1 3 5 A V E -a 29 0A 37 25,-2.1 27,-2.7 -2,-0.3 2,-0.5 -0.965 14.7-137.2-154.7 136.8 6.4 -8.7 5.5 4 6 A D E -a 30 0A 106 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.874 25.0-172.9-100.5 126.6 9.1 -6.7 3.8 5 7 A I E -a 31 0A 0 25,-2.6 27,-2.2 -2,-0.5 2,-0.4 -0.943 8.9-158.7-123.2 140.8 8.1 -5.0 0.6 6 8 A Q E -a 32 0A 89 -2,-0.4 8,-1.5 25,-0.2 2,-0.5 -0.951 4.6-167.4-120.3 137.2 10.2 -3.1 -2.0 7 9 A G B -C 13 0B 0 25,-2.1 6,-0.2 -2,-0.4 37,-0.1 -0.984 23.3-165.2-121.5 115.5 9.0 -0.6 -4.5 8 10 A N > - 0 0 34 4,-2.1 3,-1.3 -2,-0.5 4,-0.2 -0.223 36.6 -93.6 -98.3-174.3 11.7 0.2 -7.1 9 11 A D T 3 S+ 0 0 15 25,-0.3 26,-0.1 1,-0.3 -1,-0.1 0.733 119.7 63.7 -68.7 -23.3 12.5 2.8 -9.8 10 12 A Q T 3 S- 0 0 125 2,-0.1 -1,-0.3 32,-0.0 25,-0.0 0.219 118.8-109.7 -86.7 15.3 10.8 0.6 -12.5 11 13 A M S < S+ 0 0 72 -3,-1.3 2,-0.4 1,-0.2 -2,-0.1 0.931 74.5 131.6 57.3 53.6 7.5 1.0 -10.6 12 14 A Q - 0 0 54 -4,-0.2 -4,-2.1 104,-0.1 2,-0.3 -0.996 49.8-144.5-137.1 141.3 7.3 -2.5 -9.3 13 15 A F B -C 7 0B 25 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.2 -0.759 25.2-127.0 -96.3 149.0 6.5 -4.0 -5.9 14 16 A N S S+ 0 0 35 -8,-1.5 2,-0.2 -2,-0.3 364,-0.2 -0.097 91.5 41.1 -91.5 38.1 8.5 -7.2 -5.1 15 17 A T - 0 0 13 -2,-0.2 -2,-0.1 -9,-0.1 3,-0.1 -0.848 51.2-170.9-174.9 141.2 5.3 -9.1 -4.3 16 18 A N S S+ 0 0 67 1,-0.3 103,-1.6 -2,-0.2 2,-0.3 0.238 79.8 44.4-122.4 10.0 1.8 -9.3 -5.8 17 19 A A E -d 119 0C 34 101,-0.3 2,-0.4 90,-0.0 -1,-0.3 -0.893 63.1-163.8-158.2 123.1 0.1 -11.2 -3.0 18 20 A I E -d 120 0C 5 101,-3.5 103,-2.4 -2,-0.3 2,-0.5 -0.905 5.2-158.3-111.9 137.3 0.4 -10.9 0.8 19 21 A T E -d 121 0C 96 -2,-0.4 2,-0.5 101,-0.2 103,-0.2 -0.962 4.2-163.7-116.4 126.9 -0.7 -13.6 3.3 20 22 A V - 0 0 0 101,-3.5 2,-0.6 -2,-0.5 7,-0.1 -0.949 21.1-129.5-112.5 121.3 -1.5 -12.6 6.9 21 23 A D > - 0 0 93 -2,-0.5 3,-3.1 101,-0.2 101,-0.1 -0.572 11.5-145.1 -70.5 112.8 -1.7 -15.3 9.5 22 24 A K T 3 S+ 0 0 137 -2,-0.6 -1,-0.2 1,-0.3 100,-0.1 0.596 97.4 72.5 -55.7 -8.1 -5.0 -14.9 11.3 23 25 A S T 3 S+ 0 0 89 2,-0.0 -1,-0.3 74,-0.0 2,-0.1 0.799 80.2 91.1 -75.7 -29.5 -3.1 -16.0 14.3 24 26 A a < - 0 0 12 -3,-3.1 3,-0.1 1,-0.1 -4,-0.0 -0.381 59.2-164.0 -67.4 142.4 -1.3 -12.7 14.4 25 27 A K S S+ 0 0 171 1,-0.3 72,-1.1 72,-0.1 73,-0.4 0.607 82.1 28.5 -99.5 -17.8 -2.9 -9.9 16.4 26 28 A Q E S- B 0 96A 130 70,-0.2 2,-0.4 71,-0.1 -1,-0.3 -0.996 70.2-157.8-142.5 141.4 -0.8 -7.3 14.7 27 29 A F E - B 0 95A 5 68,-2.2 68,-1.8 -2,-0.3 2,-0.5 -0.970 7.1-155.3-124.0 139.0 0.7 -7.2 11.2 28 30 A T E -aB 2 94A 33 -27,-2.1 -25,-2.1 -2,-0.4 2,-0.6 -0.948 5.5-164.7-121.3 128.4 3.7 -5.2 10.0 29 31 A V E -aB 3 93A 0 64,-2.7 64,-2.0 -2,-0.5 2,-0.8 -0.940 6.7-162.5-109.0 120.2 4.5 -4.0 6.5 30 32 A N E -aB 4 92A 49 -27,-2.7 -25,-2.6 -2,-0.6 2,-0.4 -0.873 12.0-166.8-105.1 101.4 8.1 -2.8 6.1 31 33 A L E +aB 5 91A 2 60,-2.4 60,-2.3 -2,-0.8 2,-0.3 -0.724 10.2 173.6 -93.0 136.4 8.3 -0.7 2.9 32 34 A S E -aB 6 90A 38 -27,-2.2 -25,-2.1 -2,-0.4 58,-0.2 -0.909 22.3-142.1-134.3 162.6 11.6 0.3 1.3 33 35 A H - 0 0 4 56,-1.5 55,-3.0 -2,-0.3 2,-0.2 -0.840 13.2-168.6-132.9 97.5 12.5 2.0 -1.9 34 36 A P + 0 0 50 0, 0.0 -25,-0.3 0, 0.0 2,-0.3 -0.560 50.2 58.5 -81.4 151.5 15.6 0.8 -3.8 35 37 A G S S- 0 0 41 -2,-0.2 -2,-0.1 -27,-0.2 -27,-0.0 -0.864 83.7 -92.0 130.6-165.8 16.8 3.0 -6.6 36 38 A N S S+ 0 0 138 -2,-0.3 -1,-0.1 2,-0.1 6,-0.1 0.641 77.7 109.2-122.3 -29.5 17.9 6.6 -7.2 37 39 A L - 0 0 58 -3,-0.1 50,-1.9 1,-0.1 2,-0.0 -0.243 66.7-120.2 -57.7 134.0 14.8 8.6 -8.1 38 40 A P >> - 0 0 66 0, 0.0 4,-3.0 0, 0.0 3,-2.6 -0.293 26.3-101.2 -74.9 158.4 13.5 11.1 -5.4 39 41 A K H 3> S+ 0 0 73 1,-0.3 4,-0.9 2,-0.2 46,-0.1 0.742 120.4 59.8 -48.3 -31.6 10.1 11.0 -3.8 40 42 A N H 34 S+ 0 0 115 2,-0.2 -1,-0.3 1,-0.1 26,-0.1 0.654 119.0 28.3 -75.6 -15.3 8.9 13.8 -6.0 41 43 A V H <4 S+ 0 0 87 -3,-2.6 -2,-0.2 0, 0.0 -1,-0.1 0.753 139.4 15.2-111.0 -42.5 9.6 11.7 -9.1 42 44 A M H < S+ 0 0 15 -4,-3.0 2,-0.2 -6,-0.1 -3,-0.2 -0.265 78.8 161.3-133.0 49.6 9.2 8.1 -8.1 43 45 A G < - 0 0 5 -4,-0.9 2,-0.4 -5,-0.2 43,-0.2 -0.481 15.2-170.6 -75.3 136.9 7.4 8.2 -4.7 44 46 A H B +H 85 0D 1 41,-2.2 41,-3.0 -2,-0.2 2,-0.3 -0.953 9.3 179.5-127.5 148.9 5.7 5.0 -3.5 45 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.2 39,-0.1 -0.868 25.6-128.4-135.7 168.1 3.3 4.2 -0.7 46 48 A W - 0 0 0 -2,-0.3 36,-1.9 37,-0.2 2,-0.4 -0.978 31.0-179.5-123.1 115.1 1.7 1.0 0.4 47 49 A V E -EF 81 109C 0 62,-2.9 62,-2.0 -2,-0.5 2,-0.4 -0.953 12.9-156.9-122.7 136.9 -2.1 1.3 0.9 48 50 A L E +EF 80 108C 0 32,-2.8 31,-2.3 -2,-0.4 32,-1.0 -0.927 28.7 135.2-115.2 131.2 -4.6 -1.3 2.0 49 51 A S E - F 0 107C 0 58,-2.1 58,-2.8 -2,-0.4 29,-0.1 -0.936 58.6 -75.5-156.5 173.5 -8.3 -1.2 1.3 50 52 A T E > - F 0 106C 23 27,-0.4 4,-0.9 -2,-0.3 3,-0.3 -0.402 48.7-111.8 -71.7 159.4 -11.1 -3.6 0.1 51 53 A A T >4 S+ 0 0 39 54,-2.1 3,-0.6 1,-0.2 4,-0.4 0.897 119.4 53.1 -59.2 -38.9 -11.0 -4.3 -3.6 52 54 A A T 34 S+ 0 0 92 53,-0.3 4,-0.4 1,-0.2 3,-0.3 0.823 108.6 48.5 -65.8 -34.0 -14.2 -2.3 -4.0 53 55 A D T 3> S+ 0 0 56 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.575 86.6 93.0 -83.6 -11.0 -12.8 0.8 -2.2 54 56 A M H S+ 0 0 154 -4,-0.4 4,-2.8 -3,-0.3 5,-0.3 0.901 112.5 51.0 -59.1 -41.5 -10.5 3.2 -7.0 56 58 A G H > S+ 0 0 19 -4,-0.4 4,-2.4 1,-0.2 5,-0.3 0.936 112.0 47.2 -60.1 -46.3 -12.1 5.7 -4.6 57 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 15,-0.3 0.911 113.8 48.4 -60.6 -44.8 -9.0 5.7 -2.4 58 60 A V H X S+ 0 0 16 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.926 114.5 43.1 -64.4 -47.8 -6.8 6.2 -5.5 59 61 A T H X S+ 0 0 72 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.963 118.2 43.2 -65.6 -52.2 -8.7 9.0 -7.0 60 62 A D H X S+ 0 0 61 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.2 0.782 113.7 56.8 -63.8 -24.3 -9.3 11.0 -3.8 61 63 A G H >X S+ 0 0 0 -4,-1.4 4,-0.8 -5,-0.3 3,-0.5 0.948 104.3 47.7 -71.9 -49.1 -5.7 10.2 -3.0 62 64 A M H >< S+ 0 0 77 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.882 110.1 54.4 -59.8 -37.3 -4.1 11.8 -6.1 63 65 A A H 3< S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.807 98.7 62.7 -65.8 -30.6 -6.3 14.9 -5.6 64 66 A S H << S- 0 0 30 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.742 105.1-143.1 -67.4 -23.2 -5.0 15.2 -2.0 65 67 A G X<> - 0 0 21 -3,-0.9 5,-2.6 -4,-0.8 3,-1.4 0.046 23.7 -60.0 85.9 167.6 -1.5 15.7 -3.5 66 68 A L G > 5S+ 0 0 49 1,-0.3 3,-1.9 3,-0.2 18,-0.2 0.838 125.5 59.4 -55.5 -44.3 2.1 14.8 -2.7 67 69 A D G 3 5S+ 0 0 156 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.621 106.9 48.8 -66.1 -12.5 2.3 16.6 0.6 68 70 A K G X 5S- 0 0 114 -3,-1.4 3,-1.3 -7,-0.1 -1,-0.3 0.020 121.1-108.5-113.3 25.1 -0.6 14.4 1.9 69 71 A D T < 5 - 0 0 37 -3,-1.9 -3,-0.2 1,-0.3 42,-0.2 0.733 63.5 -73.8 54.1 27.8 1.2 11.3 0.6 70 72 A Y T 3 - 0 0 96 -2,-0.3 3,-1.8 -15,-0.3 6,-0.1 -0.618 49.8-101.2 -73.7 124.5 -7.3 11.5 1.6 73 75 A P T 3 S- 0 0 73 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.186 99.7 -3.1 -50.2 130.4 -6.7 12.6 5.2 74 76 A D T 3 S- 0 0 166 1,-0.2 2,-0.4 2,-0.1 -2,-0.0 0.788 84.8-174.2 56.3 31.3 -8.4 10.1 7.7 75 77 A D X - 0 0 15 -3,-1.8 3,-1.2 1,-0.2 -1,-0.2 -0.417 16.8-156.1 -60.1 114.4 -9.8 8.1 4.8 76 78 A S T 3 S+ 0 0 119 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.662 90.4 63.8 -67.8 -15.3 -12.0 5.5 6.5 77 79 A R T 3 S+ 0 0 57 -24,-0.1 2,-0.9 -28,-0.1 -27,-0.4 0.699 82.5 87.2 -81.1 -19.9 -11.6 3.2 3.5 78 80 A V < - 0 0 19 -3,-1.2 -29,-0.2 1,-0.2 3,-0.1 -0.730 57.2-173.2 -83.8 108.7 -7.9 2.9 4.1 79 81 A I S S- 0 0 37 -31,-2.3 2,-0.3 -2,-0.9 -1,-0.2 0.862 72.2 -18.4 -69.0 -35.4 -7.5 0.0 6.5 80 82 A A E +E 48 0C 9 -32,-1.0 -32,-2.8 -3,-0.1 -1,-0.3 -0.969 67.6 176.3-165.8 156.5 -3.8 0.8 6.8 81 83 A H E -E 47 0C 80 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.1 -0.982 20.8-135.4-166.1 154.9 -1.1 2.7 4.9 82 84 A T - 0 0 1 -36,-1.9 2,-0.2 -2,-0.3 11,-0.1 -0.382 41.2 -92.5 -99.5-176.8 2.6 3.8 5.0 83 85 A K - 0 0 123 -2,-0.1 2,-0.4 -38,-0.1 -37,-0.2 -0.490 48.6 -89.4 -92.5 168.1 3.8 7.2 4.1 84 86 A L - 0 0 3 -2,-0.2 2,-0.4 -18,-0.2 -39,-0.2 -0.664 53.4-165.8 -78.2 133.0 5.0 8.2 0.6 85 87 A I B -H 44 0D 2 -41,-3.0 -41,-2.2 -2,-0.4 2,-0.2 -0.957 14.5-150.6-129.3 145.4 8.7 7.4 0.3 86 88 A G > - 0 0 1 -2,-0.4 3,-1.9 -43,-0.2 -53,-0.2 -0.449 50.9 -56.9 -99.0 176.5 11.4 8.2 -2.1 87 89 A S T 3 S+ 0 0 30 -50,-1.9 -1,-0.2 1,-0.3 -48,-0.2 -0.228 124.9 20.2 -56.7 137.6 14.5 6.2 -3.0 88 90 A G T 3 S+ 0 0 71 -55,-3.0 -1,-0.3 1,-0.3 -52,-0.0 0.123 103.6 110.7 90.2 -21.4 16.7 5.3 -0.1 89 91 A E < - 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