==== 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 31-AUG-06 2I7S . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.GRADINARU,B.R.CRANE . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 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 . 4 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 . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 10.7 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 0 4 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 0 8 0 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 1 A A 0 0 146 0, 0.0 2,-1.0 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 179.5 19.5 6.9 39.2 2 2 A Q + 0 0 138 1,-0.1 21,-0.2 27,-0.0 24,-0.0 -0.719 360.0 129.2 -94.7 102.2 21.2 10.3 38.8 3 3 A a + 0 0 37 -2,-1.0 27,-2.1 19,-0.1 2,-0.3 -0.424 61.0 74.9-135.5 43.1 23.2 10.6 35.6 4 4 A S E -a 30 0A 35 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.975 55.0-157.4-151.6 164.5 21.7 13.9 34.6 5 5 A V E -a 31 0A 36 25,-1.7 27,-2.7 -2,-0.3 2,-0.6 -0.988 16.0-137.0-144.3 141.9 21.8 17.7 35.3 6 6 A D E -a 32 0A 112 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.915 28.3-174.8 -98.6 115.7 19.3 20.5 34.6 7 7 A I E -a 33 0A 0 25,-2.3 27,-2.2 -2,-0.6 2,-0.4 -0.898 7.9-162.7-113.3 137.4 21.0 23.6 33.2 8 8 A Q E -a 34 0A 87 -2,-0.4 8,-1.3 25,-0.2 2,-0.4 -0.949 8.6-162.6-114.2 147.0 19.6 27.1 32.5 9 9 A G B -C 15 0B 0 25,-2.1 6,-0.2 -2,-0.4 2,-0.1 -0.998 24.2-166.1-117.8 126.4 20.9 29.9 30.4 10 10 A N > - 0 0 49 4,-1.9 3,-1.3 -2,-0.4 4,-0.1 -0.340 37.8 -91.7-107.7-174.4 19.1 33.2 31.2 11 11 A D T 3 S+ 0 0 33 1,-0.3 26,-0.1 2,-0.1 -1,-0.0 0.548 118.4 66.3 -76.5 -4.6 18.8 36.7 29.7 12 12 A Q T 3 S- 0 0 73 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.239 116.3-109.8 -98.2 8.7 21.8 37.9 31.7 13 13 A M S < S+ 0 0 0 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.891 76.9 126.3 65.5 43.8 24.1 35.7 29.7 14 14 A Q - 0 0 51 -4,-0.1 -4,-1.9 107,-0.1 2,-0.2 -0.977 55.8-138.2-129.0 145.2 24.8 33.3 32.6 15 15 A F B -C 9 0B 6 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.634 26.4-126.4 -84.1 157.0 24.5 29.5 33.2 16 16 A N S S+ 0 0 79 -8,-1.3 2,-0.3 -2,-0.2 -7,-0.1 0.462 93.4 34.5 -85.5 -0.4 23.0 28.6 36.6 17 17 A T - 0 0 47 -9,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.995 54.3-167.4-146.1 149.6 26.1 26.3 37.3 18 18 A N S S+ 0 0 81 -2,-0.3 106,-1.8 1,-0.2 2,-0.3 0.311 77.3 48.6-118.9 11.4 29.8 26.5 36.5 19 19 A A E -d 124 0C 67 104,-0.2 2,-0.4 90,-0.0 106,-0.2 -0.964 58.7-171.5-150.8 131.0 30.8 23.0 37.4 20 20 A I E -d 125 0C 5 104,-2.7 106,-2.3 -2,-0.3 2,-0.5 -0.973 9.2-155.2-122.7 131.2 29.3 19.6 36.5 21 21 A T E -d 126 0C 90 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.929 3.0-155.5-107.1 133.5 30.3 16.3 38.0 22 22 A V E -d 127 0C 0 104,-3.2 106,-3.1 -2,-0.5 2,-0.4 -0.890 19.5-130.1 -97.7 127.0 29.8 13.0 36.2 23 23 A D > - 0 0 64 -2,-0.5 3,-2.2 -21,-0.2 76,-0.1 -0.692 13.5-136.8 -76.4 127.3 29.5 9.9 38.4 24 24 A K T 3 S+ 0 0 140 104,-4.3 -1,-0.1 -2,-0.4 103,-0.0 0.598 100.5 68.1 -60.9 -12.9 31.9 7.2 37.0 25 25 A S T 3 S+ 0 0 95 103,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.369 79.6 97.7 -90.2 7.5 29.2 4.6 37.5 26 26 A a < - 0 0 7 -3,-2.2 3,-0.1 1,-0.1 73,-0.1 -0.709 56.4-163.2 -87.7 134.8 27.0 6.2 34.8 27 27 A K S S+ 0 0 164 -2,-0.4 72,-2.3 1,-0.3 73,-0.6 0.887 82.3 17.9 -81.5 -33.1 27.2 4.6 31.3 28 28 A Q E S- B 0 98A 89 70,-0.3 2,-0.4 71,-0.1 -1,-0.3 -0.922 70.4-150.8-131.7 154.1 25.6 7.7 29.8 29 29 A F E - B 0 97A 6 68,-2.6 68,-2.2 -2,-0.3 2,-0.4 -0.986 9.6-156.9-129.2 137.5 25.1 11.3 31.0 30 30 A T E -aB 4 96A 33 -27,-2.1 -25,-1.7 -2,-0.4 2,-0.5 -0.952 5.4-162.5-120.1 135.1 22.3 13.6 30.1 31 31 A V E -aB 5 95A 0 64,-2.8 64,-2.1 -2,-0.4 2,-0.7 -0.959 6.0-160.4-110.1 123.2 22.1 17.5 30.1 32 32 A N E -aB 6 94A 52 -27,-2.7 -25,-2.3 -2,-0.5 2,-0.4 -0.909 14.1-164.5-101.9 107.2 18.7 19.1 30.0 33 33 A L E +aB 7 93A 2 60,-2.9 60,-2.1 -2,-0.7 2,-0.3 -0.745 11.0 174.3 -95.0 135.6 19.1 22.8 28.8 34 34 A S E -aB 8 92A 24 -27,-2.2 -25,-2.1 -2,-0.4 58,-0.2 -0.932 22.9-145.8-131.7 162.5 16.4 25.4 29.2 35 35 A H - 0 0 4 56,-1.4 55,-2.5 -2,-0.3 56,-0.3 -0.799 15.6-176.5-130.6 91.4 16.1 29.2 28.6 36 36 A P + 0 0 55 0, 0.0 3,-0.2 0, 0.0 2,-0.2 -0.412 51.6 64.2 -74.0 164.1 13.9 31.1 31.1 37 37 A G S S- 0 0 37 1,-0.1 53,-0.2 -27,-0.1 -2,-0.1 -0.578 86.6 -96.9 107.8 176.3 13.6 34.8 30.1 38 38 A N S S+ 0 0 138 -2,-0.2 -1,-0.1 51,-0.1 -28,-0.0 0.367 76.0 109.7-127.4 6.8 12.0 36.4 27.1 39 39 A L - 0 0 36 -3,-0.2 50,-2.1 5,-0.1 2,-0.0 -0.644 63.6-122.5 -89.7 143.1 14.8 37.2 24.6 40 40 A P >> - 0 0 63 0, 0.0 4,-2.1 0, 0.0 3,-1.4 -0.231 26.6-100.4 -81.4 172.2 14.9 35.2 21.3 41 41 A K H 3> S+ 0 0 87 1,-0.3 4,-1.1 2,-0.2 46,-0.1 0.664 112.5 66.7 -72.9 -16.2 17.8 33.1 20.1 42 42 A N H 34 S+ 0 0 90 2,-0.2 -1,-0.3 1,-0.2 26,-0.1 0.710 119.6 21.2 -78.4 -16.9 19.1 35.6 17.6 43 43 A V H <4 S+ 0 0 20 -3,-1.4 -2,-0.2 335,-0.0 -1,-0.2 0.558 143.8 18.6-121.2 -14.5 20.2 38.0 20.4 44 44 A M H < S+ 0 0 0 -4,-2.1 -3,-0.2 333,-0.1 -2,-0.2 -0.083 80.5 156.0-148.3 40.7 20.4 35.7 23.4 45 45 A G < - 0 0 0 -4,-1.1 2,-0.4 -5,-0.1 43,-0.2 -0.386 20.8-163.4 -70.9 146.9 20.7 32.2 22.1 46 46 A H B +H 87 0D 1 41,-2.3 41,-3.0 -37,-0.1 2,-0.3 -0.996 14.0 172.1-133.1 139.2 22.2 29.5 24.2 47 47 A N - 0 0 0 -2,-0.4 2,-0.4 39,-0.3 67,-0.1 -0.801 28.6-129.4-125.6 172.7 23.6 26.0 23.6 48 48 A W + 0 0 0 -2,-0.3 36,-1.7 37,-0.2 2,-0.4 -0.995 32.1 178.1-125.9 115.3 25.6 23.6 25.8 49 49 A V E -EF 83 111C 0 62,-2.0 62,-1.7 -2,-0.4 2,-0.4 -0.977 13.1-156.1-128.3 136.0 28.8 22.3 24.2 50 50 A L E +EF 82 110C 0 32,-2.6 31,-2.4 -2,-0.4 32,-1.0 -0.949 26.5 138.6-121.6 130.1 31.4 19.9 25.6 51 51 A S E - F 0 109C 0 58,-2.2 58,-2.9 -2,-0.4 29,-0.1 -0.919 58.2 -75.1-149.3 172.9 35.1 19.6 24.6 52 52 A T E >> - F 0 108C 18 27,-0.4 4,-1.1 -2,-0.3 3,-0.7 -0.450 48.8-114.4 -64.5 155.4 38.5 19.2 26.1 53 53 A A T 34 S+ 0 0 40 54,-2.6 4,-0.5 1,-0.2 3,-0.5 0.877 117.6 58.5 -60.3 -34.1 39.7 22.4 27.7 54 54 A A T 34 S+ 0 0 91 53,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.837 109.9 43.0 -64.6 -31.0 42.5 22.6 25.1 55 55 A D T <> S+ 0 0 58 -3,-0.7 4,-2.2 1,-0.2 3,-0.5 0.624 87.2 92.1 -91.8 -10.3 40.0 22.5 22.3 56 56 A M H X S+ 0 0 38 -4,-1.1 4,-2.8 -3,-0.5 5,-0.3 0.896 84.6 51.0 -50.9 -47.5 37.4 25.0 23.7 57 57 A Q H > S+ 0 0 156 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.901 111.6 46.6 -66.2 -35.7 38.8 28.1 22.1 58 58 A G H > S+ 0 0 24 -3,-0.5 4,-2.6 -4,-0.3 5,-0.2 0.911 112.6 49.9 -69.3 -42.9 39.0 26.6 18.6 59 59 A V H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 15,-0.3 0.918 113.7 46.5 -56.5 -46.7 35.4 25.2 18.9 60 60 A V H X S+ 0 0 15 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.936 114.4 46.7 -63.8 -45.3 34.2 28.7 20.0 61 61 A T H X S+ 0 0 73 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.937 115.5 43.3 -68.0 -44.3 36.0 30.5 17.3 62 62 A D H X S+ 0 0 63 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.847 111.1 59.7 -67.6 -30.1 35.0 28.2 14.4 63 63 A G H >X S+ 0 0 0 -4,-2.0 4,-1.0 -5,-0.2 3,-0.8 0.910 101.8 50.6 -61.8 -49.3 31.5 28.3 15.9 64 64 A M H >< S+ 0 0 45 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.926 109.4 51.7 -57.9 -40.9 31.1 32.0 15.6 65 65 A A H 3< S+ 0 0 90 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.743 101.3 62.0 -72.4 -17.6 32.1 31.8 11.9 66 66 A S H << S- 0 0 19 -4,-0.8 4,-0.2 -3,-0.8 -1,-0.2 0.733 100.3-150.7 -76.5 -25.1 29.5 29.1 11.2 67 67 A G X<> - 0 0 15 -4,-1.0 5,-2.8 -3,-0.8 3,-1.6 0.124 25.9 -56.4 80.2 170.1 26.7 31.5 12.1 68 68 A L G > 5S+ 0 0 64 1,-0.3 3,-2.0 3,-0.2 -1,-0.2 0.858 124.5 61.0 -56.5 -40.3 23.2 31.5 13.5 69 69 A D G 3 5S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.683 109.1 43.9 -68.6 -17.7 21.8 29.1 10.9 70 70 A K G X 5S- 0 0 95 -3,-1.6 3,-1.5 -4,-0.2 -1,-0.3 0.021 121.1-105.6-111.4 26.4 24.2 26.4 12.0 71 71 A D T < 5 - 0 0 39 -3,-2.0 -3,-0.2 1,-0.3 42,-0.2 0.745 66.2 -72.5 59.6 27.0 23.6 27.1 15.7 72 72 A Y T 3 - 0 0 59 -2,-0.4 3,-0.8 -15,-0.3 -11,-0.1 -0.512 39.9-113.5 -67.5 129.3 31.1 24.1 12.9 75 75 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.294 94.7 11.1 -61.7 147.1 29.5 21.1 11.1 76 76 A D T 3 S+ 0 0 160 1,-0.2 2,-0.9 2,-0.1 -2,-0.0 0.843 82.2 176.0 53.0 44.4 31.3 17.8 11.6 77 77 A D X - 0 0 16 -3,-0.8 3,-2.0 1,-0.1 -1,-0.2 -0.701 20.0-164.1 -84.8 104.7 33.5 19.2 14.4 78 78 A S T 3 S+ 0 0 122 -2,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.694 84.8 65.7 -62.0 -18.7 35.6 16.2 15.7 79 79 A R T 3 S+ 0 0 57 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.4 0.601 81.3 92.8 -75.9 -16.7 36.6 18.3 18.8 80 80 A V < - 0 0 21 -3,-2.0 -29,-0.2 1,-0.2 3,-0.1 -0.749 48.3-178.3 -91.5 114.8 33.0 18.3 20.1 81 81 A I S S- 0 0 33 -31,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.855 73.1 -8.3 -74.0 -38.6 32.1 15.5 22.5 82 82 A A E -E 50 0C 9 -32,-1.0 -32,-2.6 15,-0.1 2,-0.3 -0.976 65.1-178.9-158.5 149.8 28.5 16.6 22.9 83 83 A Q E -E 49 0C 88 -2,-0.3 2,-0.2 -34,-0.2 -34,-0.2 -0.993 16.2-148.9-151.7 145.1 26.2 19.5 21.9 84 84 A T - 0 0 3 -36,-1.7 11,-0.1 -2,-0.3 2,-0.1 -0.631 39.2 -99.2 -90.5 167.6 22.6 20.8 22.2 85 85 A K - 0 0 97 -2,-0.2 2,-0.4 9,-0.1 -37,-0.2 -0.326 48.6 -89.2 -71.5 169.9 21.0 22.9 19.5 86 86 A L - 0 0 2 -18,-0.1 2,-0.3 -39,-0.1 -39,-0.3 -0.753 52.5-168.9 -83.4 125.8 20.9 26.7 20.0 87 87 A I B -H 46 0D 0 -41,-3.0 -41,-2.3 -2,-0.4 2,-0.2 -0.870 13.1-157.8-121.3 155.2 17.7 27.8 22.0 88 88 A G > - 0 0 2 -2,-0.3 3,-2.0 1,-0.2 -53,-0.2 -0.476 52.1 -42.0-114.3-171.9 15.9 31.0 22.8 89 89 A S T 3 S+ 0 0 34 -50,-2.1 -1,-0.2 1,-0.3 -48,-0.1 -0.153 126.6 16.1 -56.2 139.0 13.4 32.0 25.5 90 90 A G T 3 S+ 0 0 71 -55,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.384 104.8 109.8 83.1 -8.7 10.8 29.4 26.2 91 91 A E < - 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