==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 03-AUG-06 2HXA . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.J.BANFIELD . 252 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 20.2 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 10.7 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 3 1 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 3 A a 0 0 91 0, 0.0 27,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 29.7 -4.7 -13.9 -5.0 2 4 A S E -a 28 0A 70 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.978 360.0-156.0-155.7 159.8 -2.4 -11.9 -2.8 3 5 A V E -a 29 0A 37 25,-2.1 27,-3.5 -2,-0.3 2,-0.6 -0.999 12.9-140.7-143.6 142.3 -0.4 -8.6 -2.8 4 6 A D E -a 30 0A 114 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.928 27.4-176.7-101.3 122.3 2.6 -7.3 -1.0 5 7 A I E -a 31 0A 0 25,-2.5 27,-2.3 -2,-0.6 2,-0.4 -0.947 11.2-152.4-123.4 139.6 2.3 -3.6 0.0 6 8 A Q E -a 32 0A 89 -2,-0.4 8,-1.6 25,-0.2 2,-0.4 -0.917 4.3-163.1-112.2 135.8 4.8 -1.4 1.7 7 9 A G B -C 13 0B 0 25,-2.6 6,-0.2 -2,-0.4 2,-0.1 -0.984 21.7-163.3-111.0 128.8 4.2 1.7 4.0 8 10 A N > - 0 0 36 4,-2.1 3,-1.5 -2,-0.4 4,-0.2 -0.397 37.1 -91.6-107.1 179.2 7.2 4.0 4.5 9 11 A D T 3 S+ 0 0 22 1,-0.3 26,-0.1 2,-0.1 -1,-0.0 0.490 120.9 61.6 -68.2 -3.1 8.5 6.8 6.8 10 12 A Q T 3 S- 0 0 131 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.057 117.0-108.3-108.7 21.4 6.9 9.3 4.4 11 13 A M S < S+ 0 0 24 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.846 76.3 131.8 54.9 40.2 3.3 8.0 4.9 12 14 A Q - 0 0 98 -4,-0.2 -4,-2.1 106,-0.1 2,-0.3 -0.945 50.3-144.9-117.6 141.8 3.1 6.5 1.4 13 15 A F B -C 7 0B 23 -2,-0.4 -6,-0.2 -6,-0.2 106,-0.1 -0.748 25.3-125.4 -86.5 152.5 1.9 3.1 0.3 14 16 A N S S+ 0 0 90 -8,-1.6 2,-0.3 -2,-0.3 -7,-0.1 0.216 93.4 36.1 -86.0 16.6 3.9 1.7 -2.7 15 17 A T - 0 0 43 -9,-0.2 -2,-0.1 104,-0.0 3,-0.1 -0.970 51.5-173.0-156.8 158.9 0.6 1.2 -4.6 16 18 A N S S+ 0 0 112 -2,-0.3 105,-2.4 1,-0.2 2,-0.3 0.241 73.8 54.6-139.3 11.9 -2.7 2.9 -4.9 17 19 A A E -d 121 0C 54 103,-0.3 2,-0.5 90,-0.1 -1,-0.2 -0.863 58.6-170.4-151.1 114.4 -4.8 0.5 -6.9 18 20 A I E -d 122 0C 6 103,-3.3 105,-2.5 -2,-0.3 2,-0.5 -0.901 5.7-160.7-106.6 130.8 -5.5 -3.1 -6.1 19 21 A T E -d 123 0C 96 -2,-0.5 2,-0.6 103,-0.2 105,-0.2 -0.945 4.5-157.1-108.1 127.9 -7.2 -5.5 -8.6 20 22 A V E -d 124 0C 0 103,-3.1 105,-2.1 -2,-0.5 2,-0.1 -0.929 18.8-130.1-107.5 115.1 -8.8 -8.7 -7.3 21 23 A D > - 0 0 91 -2,-0.6 3,-1.8 103,-0.2 103,-0.0 -0.425 13.1-132.0 -62.5 135.3 -9.1 -11.5 -9.9 22 24 A K T 3 S+ 0 0 80 103,-1.1 -1,-0.1 1,-0.3 102,-0.0 0.644 103.0 68.6 -67.6 -16.4 -12.7 -12.9 -9.9 23 25 A S T 3 S+ 0 0 98 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.637 79.3 103.8 -73.6 -14.7 -11.3 -16.4 -9.8 24 26 A a < - 0 0 7 -3,-1.8 3,-0.1 1,-0.2 73,-0.0 -0.533 47.4-174.3 -75.3 126.6 -10.0 -15.8 -6.2 25 27 A K S S+ 0 0 155 -2,-0.3 72,-2.3 1,-0.2 73,-0.6 0.891 81.6 19.8 -78.6 -43.7 -12.0 -17.4 -3.3 26 28 A Q E S- B 0 96A 67 70,-0.2 2,-0.4 71,-0.1 -1,-0.2 -0.866 70.6-151.4-120.7 156.9 -9.8 -15.6 -0.8 27 29 A F E - B 0 95A 9 68,-2.0 68,-2.0 -2,-0.3 2,-0.4 -0.999 9.8-158.1-131.8 136.4 -7.5 -12.5 -1.1 28 30 A T E -aB 2 94A 33 -27,-1.8 -25,-2.1 -2,-0.4 2,-0.5 -0.915 5.6-161.6-119.3 133.4 -4.4 -11.8 1.0 29 31 A V E -aB 3 93A 0 64,-2.9 64,-1.8 -2,-0.4 2,-0.7 -0.975 4.9-161.3-112.6 122.4 -2.6 -8.6 1.8 30 32 A N E -aB 4 92A 48 -27,-3.5 -25,-2.5 -2,-0.5 2,-0.4 -0.885 15.5-166.3-102.4 101.9 1.0 -8.8 3.0 31 33 A L E +aB 5 91A 1 60,-2.5 60,-1.8 -2,-0.7 2,-0.3 -0.753 11.1 171.8 -93.5 130.6 1.8 -5.4 4.7 32 34 A S E -aB 6 90A 42 -27,-2.3 -25,-2.6 -2,-0.4 58,-0.2 -0.893 24.1-138.7-132.1 170.9 5.4 -4.3 5.6 33 35 A H - 0 0 4 56,-1.0 55,-2.4 -2,-0.3 56,-0.3 -0.836 13.5-167.4-135.5 87.3 7.0 -1.1 6.9 34 36 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.398 51.9 55.6 -64.0 156.4 10.4 0.0 5.5 35 37 A G S S- 0 0 49 -27,-0.2 -2,-0.1 1,-0.1 209,-0.1 -0.807 87.8 -81.9 119.4-159.5 12.1 2.8 7.4 36 38 A N S S+ 0 0 105 -2,-0.3 207,-0.1 2,-0.1 -1,-0.1 -0.173 78.4 105.0-148.3 40.4 13.3 3.4 10.9 37 39 A L - 0 0 1 5,-0.2 50,-2.3 -3,-0.1 204,-0.1 -0.984 62.2-119.0-129.4 137.8 10.4 4.7 13.2 38 40 A P >> - 0 0 38 0, 0.0 4,-2.8 0, 0.0 3,-1.3 -0.118 31.5-103.2 -71.3 174.2 8.5 2.8 15.8 39 41 A K H 3> S+ 0 0 79 1,-0.3 4,-0.6 2,-0.2 46,-0.1 0.793 119.5 56.7 -69.8 -32.2 4.8 2.1 15.8 40 42 A N H 34 S+ 0 0 43 2,-0.2 -1,-0.3 1,-0.1 154,-0.2 0.420 118.2 34.3 -79.7 2.6 3.9 4.8 18.3 41 43 A V H <4 S+ 0 0 18 -3,-1.3 -2,-0.2 152,-0.1 -1,-0.1 0.712 139.9 5.9-114.8 -52.1 5.6 7.4 16.0 42 44 A M H < S+ 0 0 0 -4,-2.8 2,-0.3 198,-0.1 -2,-0.2 -0.598 81.1 167.3-138.2 66.0 4.9 6.3 12.5 43 45 A G < - 0 0 4 -4,-0.6 2,-0.3 -2,-0.1 43,-0.2 -0.646 13.1-165.0 -87.4 145.0 2.6 3.3 12.6 44 46 A H B +H 85 0D 0 41,-2.2 41,-2.8 -2,-0.3 2,-0.3 -0.960 10.7 174.3-127.1 145.6 0.7 1.9 9.5 45 47 A N - 0 0 0 -2,-0.3 2,-0.4 39,-0.2 39,-0.1 -0.833 27.5-125.6-132.4 178.3 -2.2 -0.4 8.9 46 48 A W + 0 0 0 -2,-0.3 36,-2.0 37,-0.2 2,-0.4 -0.985 30.9 178.4-130.8 121.3 -4.2 -1.6 5.9 47 49 A V E -EF 81 109C 0 62,-2.2 62,-1.5 -2,-0.4 2,-0.5 -0.977 13.9-154.8-130.8 131.4 -7.9 -1.1 6.1 48 50 A L E +EF 80 108C 0 32,-3.0 31,-2.3 -2,-0.4 32,-0.9 -0.936 28.7 138.2-111.4 129.6 -10.6 -1.9 3.5 49 51 A S E - F 0 107C 0 58,-2.2 58,-2.6 -2,-0.5 2,-0.1 -0.905 55.4 -80.4-145.1 174.6 -14.1 -0.2 3.2 50 52 A T E > - F 0 106C 32 27,-0.4 4,-1.1 -2,-0.3 3,-0.4 -0.463 47.0-110.7 -66.4 155.9 -16.5 1.1 0.6 51 53 A A H > S+ 0 0 35 54,-2.1 4,-0.5 1,-0.2 3,-0.4 0.883 120.1 54.5 -56.4 -41.1 -15.6 4.6 -0.7 52 54 A A H 4 S+ 0 0 92 53,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.822 110.5 44.4 -59.6 -36.4 -18.7 5.9 1.2 53 55 A D H > S+ 0 0 60 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.639 91.0 87.2 -86.1 -15.7 -17.6 4.4 4.6 54 56 A M H X S+ 0 0 22 -4,-1.1 4,-2.8 -3,-0.4 5,-0.2 0.888 85.2 49.8 -56.3 -51.3 -14.0 5.5 4.4 55 57 A Q H X S+ 0 0 114 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.904 115.0 43.8 -56.8 -47.6 -14.3 9.0 5.9 56 58 A G H > S+ 0 0 23 -4,-0.4 4,-2.2 2,-0.2 5,-0.2 0.832 112.4 52.5 -67.2 -37.4 -16.3 7.8 8.9 57 59 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 15,-0.3 0.937 113.4 45.1 -59.8 -49.9 -14.0 4.7 9.5 58 60 A V H X S+ 0 0 2 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.923 114.6 47.2 -60.5 -49.1 -11.0 7.1 9.5 59 61 A T H X S+ 0 0 75 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.925 117.1 41.8 -59.5 -48.8 -12.6 9.7 11.8 60 62 A D H X S+ 0 0 55 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.848 116.3 50.4 -70.9 -36.3 -13.8 7.2 14.3 61 63 A G H >X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.2 3,-0.6 0.928 107.6 51.6 -65.9 -50.7 -10.6 5.2 14.1 62 64 A M H >< S+ 0 0 84 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.907 111.3 49.4 -47.9 -45.8 -8.4 8.3 14.7 63 65 A A H 3< S+ 0 0 91 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.730 102.0 62.2 -71.9 -23.3 -10.4 9.1 17.8 64 66 A S H << S- 0 0 26 -4,-0.9 4,-0.4 -3,-0.6 -1,-0.2 0.716 100.6-154.0 -74.3 -23.6 -10.1 5.5 19.1 65 67 A G X<> - 0 0 16 -4,-1.0 5,-2.6 -3,-0.8 3,-1.1 0.077 28.3 -51.7 81.0 175.6 -6.3 6.0 19.3 66 68 A L G > 5S+ 0 0 56 1,-0.3 3,-2.8 3,-0.2 -1,-0.1 0.873 124.9 62.0 -59.5 -47.9 -3.1 3.9 19.2 67 69 A D G 3 5S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.766 109.5 43.8 -49.7 -29.9 -4.2 1.4 21.9 68 70 A K G X 5S- 0 0 111 -3,-1.1 3,-0.9 -4,-0.4 -1,-0.3 0.183 120.0-110.2-102.3 15.3 -7.0 0.4 19.6 69 71 A D T < 5 - 0 0 48 -3,-2.8 -3,-0.2 1,-0.2 42,-0.2 0.829 67.3 -69.6 53.1 37.8 -4.8 0.4 16.5 70 72 A Y T 3 - 0 0 79 -2,-0.4 3,-1.6 -15,-0.3 -11,-0.1 -0.519 53.3 -96.0 -60.8 124.8 -13.3 1.9 16.3 73 75 A P T 3 S- 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.179 101.5 -4.1 -48.8 129.0 -13.8 -1.5 18.1 74 76 A D T 3 S- 0 0 167 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.787 85.5-172.2 59.3 30.1 -15.9 -4.0 16.1 75 77 A D X - 0 0 15 -3,-1.6 3,-1.0 1,-0.2 -1,-0.2 -0.414 15.4-157.7 -59.8 118.0 -16.4 -1.4 13.3 76 78 A S T 3 S+ 0 0 119 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.585 87.6 65.9 -75.6 -11.1 -19.0 -3.0 10.9 77 79 A R T 3 S+ 0 0 47 -24,-0.1 2,-0.8 -28,-0.0 -27,-0.4 0.655 80.8 91.6 -84.0 -17.2 -17.8 -0.7 8.0 78 80 A V < - 0 0 24 -3,-1.0 -29,-0.2 1,-0.2 3,-0.1 -0.717 52.6-176.3 -83.6 108.3 -14.4 -2.4 8.0 79 81 A I S S- 0 0 37 -31,-2.3 2,-0.3 -2,-0.8 -1,-0.2 0.893 71.8 -16.6 -68.2 -42.1 -14.4 -5.3 5.5 80 82 A A E +E 48 0C 8 -32,-0.9 -32,-3.0 15,-0.1 2,-0.3 -0.966 67.0 174.9-161.0 150.0 -10.8 -6.3 6.4 81 83 A H E -E 47 0C 89 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.986 21.9-133.6-155.6 155.7 -7.8 -4.8 8.1 82 84 A T - 0 0 2 -36,-2.0 11,-0.1 -2,-0.3 2,-0.1 -0.517 39.2 -96.6 -92.3 173.5 -4.3 -5.7 9.3 83 85 A K - 0 0 109 -2,-0.2 2,-0.4 9,-0.1 -37,-0.2 -0.296 51.5 -84.3 -73.8 172.4 -2.9 -4.8 12.7 84 86 A L - 0 0 0 -39,-0.1 2,-0.3 -18,-0.1 -39,-0.2 -0.696 52.0-165.8 -83.2 134.6 -0.8 -1.6 13.2 85 87 A I B -H 44 0D 2 -41,-2.8 -41,-2.2 -2,-0.4 2,-0.2 -0.937 14.2-154.0-127.1 145.7 2.9 -2.0 12.4 86 88 A G > - 0 0 2 -2,-0.3 3,-2.0 -43,-0.2 -53,-0.2 -0.511 53.1 -54.9-100.4 177.8 6.2 -0.2 13.0 87 89 A S T 3 S+ 0 0 32 -50,-2.3 -1,-0.2 1,-0.3 -48,-0.1 -0.213 126.2 17.5 -57.1 138.5 9.3 -0.3 10.9 88 90 A G T 3 S+ 0 0 79 -55,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.405 105.3 109.4 77.6 -4.2 10.8 -3.8 10.3 89 91 A E < - 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