==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-OCT-10 2XV3 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.LI,K.SATO,S.MONARI,I.SALARD,M.SOLA,M.J.BANFIELD,C.DENNISON . 258 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.4 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 10.9 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 2 0 0 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 1 A A 0 0 104 0, 0.0 2,-0.7 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 130.5 14.6 -4.3 26.9 2 2 A E + 0 0 157 1,-0.1 21,-0.9 24,-0.0 24,-0.1 -0.941 360.0 164.1-106.1 110.7 13.7 -6.1 23.7 3 3 A a + 0 0 44 -2,-0.7 27,-2.3 19,-0.1 2,-0.3 0.275 52.4 54.4-118.2 7.1 10.3 -4.9 22.7 4 4 A S E -a 30 0A 66 25,-0.2 2,-0.3 92,-0.1 27,-0.2 -0.864 57.1-161.3-132.9 167.4 10.0 -5.9 19.0 5 5 A V E -a 31 0A 34 25,-2.0 27,-3.1 -2,-0.3 2,-0.7 -0.964 13.5-142.7-148.8 138.2 10.3 -9.1 17.0 6 6 A D E -a 32 0A 117 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.909 27.1-178.6-101.7 113.4 10.9 -9.7 13.3 7 7 A I E -a 33 0A 0 25,-2.2 27,-1.5 -2,-0.7 2,-0.4 -0.940 11.0-152.6-120.7 139.2 8.9 -12.8 12.1 8 8 A Q E -a 34 0A 86 -2,-0.4 8,-1.4 25,-0.2 2,-0.5 -0.889 5.7-161.2-114.7 137.2 8.8 -14.3 8.6 9 9 A G B -C 15 0B 0 25,-2.7 6,-0.2 -2,-0.4 37,-0.1 -0.970 22.2-163.3-114.0 127.2 6.2 -16.3 6.8 10 10 A N > - 0 0 35 4,-2.2 3,-0.9 -2,-0.5 27,-0.1 -0.283 35.4 -98.3-107.1-176.8 7.3 -18.3 3.8 11 11 A D T 3 S+ 0 0 23 1,-0.2 26,-0.1 2,-0.1 -1,-0.0 0.495 117.4 64.6 -74.5 -7.5 6.0 -20.1 0.6 12 12 A Q T 3 S- 0 0 128 2,-0.2 -1,-0.2 32,-0.0 25,-0.0 0.011 118.5-107.5-107.0 26.3 6.2 -23.4 2.5 13 13 A M S < S+ 0 0 53 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.910 78.4 122.0 49.2 50.9 3.6 -22.4 5.1 14 14 A Q - 0 0 101 -4,-0.1 -4,-2.2 108,-0.1 2,-0.3 -0.994 56.2-137.2-137.5 148.5 6.0 -21.8 8.0 15 15 A F B -C 9 0B 12 -2,-0.3 -6,-0.2 106,-0.3 108,-0.1 -0.709 26.0-127.2 -87.8 155.7 7.0 -19.0 10.4 16 16 A N S S+ 0 0 91 -8,-1.4 2,-0.3 -2,-0.3 -7,-0.1 0.215 92.5 42.5 -92.5 12.7 10.7 -18.7 11.0 17 17 A T - 0 0 45 -9,-0.2 106,-0.1 106,-0.1 -2,-0.1 -0.965 54.0-167.7-154.3 146.7 10.1 -18.8 14.8 18 18 A N S S+ 0 0 53 -2,-0.3 107,-2.4 1,-0.2 2,-0.3 0.347 75.8 50.2-110.8 -0.6 7.9 -20.8 17.2 19 19 A A E -d 125 0C 32 105,-0.3 2,-0.5 90,-0.1 -1,-0.2 -0.923 57.5-165.4-150.5 120.0 8.3 -18.8 20.3 20 20 A I E -d 126 0C 3 105,-3.9 107,-3.2 -2,-0.3 2,-0.5 -0.902 7.6-157.3-106.8 132.3 8.0 -15.1 21.2 21 21 A T E -d 127 0C 65 -2,-0.5 2,-0.7 105,-0.2 107,-0.2 -0.914 3.3-161.2-100.1 121.9 9.3 -13.6 24.5 22 22 A V E -d 128 0C 0 105,-3.4 107,-1.7 -2,-0.5 -19,-0.1 -0.923 20.2-134.3-102.7 105.0 7.7 -10.3 25.6 23 23 A D > - 0 0 48 -21,-0.9 3,-1.4 -2,-0.7 105,-0.1 -0.319 13.0-136.7 -45.4 126.5 10.0 -8.6 28.1 24 24 A K T 3 S+ 0 0 141 1,-0.3 -1,-0.1 -2,-0.0 104,-0.0 0.644 99.1 65.7 -81.3 -8.7 7.8 -7.4 31.0 25 25 A S T 3 S+ 0 0 84 104,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.648 81.2 107.3 -73.1 -15.7 9.4 -4.0 31.3 26 26 A a < - 0 0 4 -3,-1.4 3,-0.1 1,-0.2 73,-0.1 -0.391 54.1-166.0 -63.4 134.1 8.0 -3.3 27.8 27 27 A K S S+ 0 0 177 1,-0.3 72,-1.5 72,-0.1 73,-0.5 0.747 82.0 14.6 -85.4 -28.3 5.0 -0.8 27.8 28 28 A Q E - B 0 98A 106 70,-0.2 2,-0.3 71,-0.1 -1,-0.3 -0.942 69.1-150.1-140.8 158.9 4.4 -2.0 24.2 29 29 A F E - B 0 97A 2 68,-1.8 68,-2.0 -2,-0.3 2,-0.4 -0.997 9.6-154.2-136.0 138.4 5.5 -4.8 21.9 30 30 A T E -aB 4 96A 35 -27,-2.3 -25,-2.0 -2,-0.3 2,-0.6 -0.938 4.2-163.2-120.3 126.7 5.9 -4.8 18.1 31 31 A V E -aB 5 95A 0 64,-2.4 64,-1.6 -2,-0.4 2,-0.8 -0.950 6.7-159.9-108.2 120.3 5.7 -7.7 15.7 32 32 A N E -aB 6 94A 46 -27,-3.1 -25,-2.2 -2,-0.6 2,-0.3 -0.853 13.1-165.9 -99.7 99.8 7.2 -7.0 12.2 33 33 A L E +aB 7 93A 2 60,-2.5 60,-2.0 -2,-0.8 2,-0.3 -0.665 12.4 169.5 -83.4 136.9 5.7 -9.6 9.8 34 34 A S E -aB 8 92A 40 -27,-1.5 -25,-2.7 -2,-0.3 58,-0.2 -0.956 25.7-141.2-143.0 162.6 7.2 -10.1 6.4 35 35 A H - 0 0 5 56,-1.3 55,-2.2 -2,-0.3 56,-0.3 -0.805 17.1-171.4-132.5 87.1 6.7 -12.7 3.6 36 36 A P + 0 0 49 0, 0.0 3,-0.2 0, 0.0 2,-0.2 -0.239 46.7 56.6 -64.7 167.1 9.8 -14.0 1.8 37 37 A G S S- 0 0 36 -27,-0.1 -2,-0.1 1,-0.1 53,-0.0 -0.523 90.1 -74.9 101.4-166.9 9.4 -16.2 -1.3 38 38 A N S S+ 0 0 154 -2,-0.2 -1,-0.1 51,-0.1 -28,-0.0 0.156 82.3 103.4-126.6 16.9 7.6 -16.0 -4.6 39 39 A L - 0 0 58 -3,-0.2 50,-1.7 5,-0.1 5,-0.0 -0.887 60.5-122.1-118.1 135.1 3.8 -16.6 -4.0 40 40 A P >> - 0 0 61 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.082 30.4-100.4 -70.6 178.3 0.9 -14.1 -4.0 41 41 A K H 3> S+ 0 0 85 1,-0.2 4,-1.1 2,-0.2 46,-0.1 0.823 118.7 53.7 -70.6 -34.3 -1.6 -13.3 -1.2 42 42 A N H 34 S+ 0 0 123 2,-0.2 -1,-0.2 1,-0.2 26,-0.1 0.649 116.7 39.5 -75.3 -16.3 -4.5 -15.3 -2.6 43 43 A V H <4 S+ 0 0 80 -3,-0.5 -2,-0.2 1,-0.0 -1,-0.2 0.847 139.8 0.6 -93.8 -47.6 -2.2 -18.4 -2.8 44 44 A M H < S+ 0 0 23 -4,-2.4 -2,-0.2 2,-0.0 2,-0.1 -0.350 76.2 165.5-148.7 52.3 -0.2 -18.2 0.4 45 45 A G < - 0 0 4 -4,-1.1 2,-0.4 43,-0.1 43,-0.2 -0.484 15.9-164.7 -73.0 146.8 -1.2 -15.1 2.5 46 46 A H B +H 87 0D 1 41,-1.9 41,-2.6 -2,-0.1 2,-0.3 -0.968 11.0 179.2-130.0 145.5 -0.0 -15.0 6.1 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.2 67,-0.2 -0.913 25.4-127.2-133.8 169.1 -1.1 -13.0 9.0 48 48 A W - 0 0 0 -2,-0.3 36,-2.2 37,-0.3 2,-0.4 -0.981 30.6-179.7-118.3 125.6 0.1 -12.9 12.6 49 49 A V E -EF 83 111C 0 62,-2.7 62,-1.4 -2,-0.5 2,-0.5 -0.970 13.7-154.0-126.5 141.8 -2.7 -13.2 15.3 50 50 A L E +EF 82 110C 0 32,-2.5 31,-2.6 -2,-0.4 32,-0.7 -0.970 28.2 138.9-116.9 132.2 -2.5 -13.2 19.1 51 51 A S E - F 0 109C 0 58,-2.1 58,-2.4 -2,-0.5 29,-0.1 -0.898 57.2 -77.4-144.8 174.7 -5.1 -14.8 21.5 52 52 A T E > - F 0 108C 20 27,-0.3 4,-0.9 -2,-0.3 56,-0.3 -0.437 50.1-110.2 -64.7 153.2 -5.1 -16.8 24.7 53 53 A A T >4 S+ 0 0 5 54,-2.6 3,-0.6 1,-0.2 4,-0.4 0.879 119.7 53.2 -55.4 -40.7 -4.2 -20.5 24.1 54 54 A A T 34 S+ 0 0 55 53,-0.3 3,-0.4 129,-0.3 4,-0.4 0.869 108.5 49.7 -60.7 -40.4 -7.9 -21.5 24.8 55 55 A D T 3> S+ 0 0 56 -3,-0.2 4,-2.4 1,-0.2 5,-0.2 0.605 86.4 87.9 -76.9 -12.5 -9.3 -19.0 22.3 56 56 A M H S+ 0 0 70 -3,-0.4 4,-2.6 -4,-0.4 -1,-0.2 0.934 114.5 41.2 -56.3 -56.5 -9.3 -22.9 18.0 58 58 A G H > S+ 0 0 20 -4,-0.4 4,-3.0 2,-0.2 5,-0.4 0.867 113.2 53.4 -61.2 -43.3 -12.5 -20.8 17.8 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 15,-0.3 0.916 113.9 44.3 -56.6 -44.0 -10.6 -17.7 16.5 60 60 A V H X S+ 0 0 28 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.915 115.7 46.9 -66.1 -43.7 -9.2 -20.0 13.7 61 61 A T H X S+ 0 0 78 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.924 116.8 41.6 -69.0 -49.1 -12.6 -21.7 13.0 62 62 A D H X S+ 0 0 60 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.861 115.3 55.0 -63.1 -34.9 -14.6 -18.6 12.9 63 63 A G H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.4 -2,-0.2 0.910 103.4 51.6 -66.3 -46.8 -11.8 -17.0 10.9 64 64 A M H < S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.838 111.0 49.6 -56.9 -36.7 -11.7 -19.6 8.2 65 65 A A H < S+ 0 0 84 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.801 104.4 58.7 -73.5 -31.7 -15.4 -19.1 7.7 66 66 A S H < S- 0 0 35 -4,-1.4 -2,-0.2 -3,-0.1 3,-0.2 0.809 103.9-152.3 -67.7 -34.8 -15.1 -15.3 7.5 67 67 A G ><> - 0 0 18 -4,-1.5 5,-3.3 1,-0.2 3,-0.9 -0.091 24.4 -55.3 95.0 176.1 -12.7 -15.8 4.5 68 68 A L G > 5S+ 0 0 52 1,-0.2 3,-1.2 3,-0.2 -1,-0.2 0.795 126.6 57.1 -66.5 -32.8 -9.8 -14.2 2.7 69 69 A D G 3 5S+ 0 0 154 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.655 107.3 49.3 -75.0 -16.4 -11.6 -10.9 2.1 70 70 A K G X 5S- 0 0 117 -3,-0.9 3,-0.8 -7,-0.1 -1,-0.3 0.193 124.2-106.8-100.5 11.9 -12.0 -10.5 5.9 71 71 A D T < 5 - 0 0 43 -3,-1.2 -3,-0.2 1,-0.2 42,-0.2 0.779 64.4 -71.9 60.8 35.2 -8.3 -11.3 6.3 72 72 A Y T 3 - 0 0 90 -2,-0.4 3,-1.9 -15,-0.3 -11,-0.1 -0.578 51.2-105.9 -65.5 121.3 -14.2 -12.8 12.3 75 75 A P T 3 S+ 0 0 62 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.253 98.3 2.4 -56.2 132.7 -14.6 -9.0 12.3 76 76 A D T 3 S+ 0 0 160 1,-0.2 4,-0.1 2,-0.0 -2,-0.1 0.384 83.8 176.7 73.4 -1.7 -14.3 -7.4 15.8 77 77 A D X - 0 0 11 -3,-1.9 3,-1.2 1,-0.2 -1,-0.2 -0.091 21.9-153.3 -38.9 114.8 -13.6 -10.8 17.4 78 78 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.511 89.4 67.4 -76.5 -10.0 -12.9 -9.9 21.0 79 79 A R T 3 S+ 0 0 57 -24,-0.1 2,-0.8 -28,-0.1 -27,-0.3 0.555 79.6 95.6 -82.9 -13.4 -10.6 -12.9 21.5 80 80 A V < + 0 0 26 -3,-1.2 -29,-0.2 1,-0.2 3,-0.1 -0.731 50.6 178.9 -84.2 110.7 -8.2 -11.2 19.1 81 81 A I - 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