==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 29-JUN-06 2IWE . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.E.DE JONGH,A.M.M.VAN ROON,M.PRUDENCIO,M.UBBINK,G.W.CANTERS . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 62.7 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 . 1 0.2 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 . 39 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 9.0 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 0 4 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 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 0 129 0, 0.0 3,-0.7 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 80.1 8.0 10.6 -14.8 2 2 A E T 3 + 0 0 148 1,-0.2 3,-0.1 3,-0.0 20,-0.1 -0.391 360.0 47.8 -70.3 160.8 10.6 9.1 -12.2 3 3 A a T 3 S+ 0 0 34 1,-0.2 27,-1.6 -2,-0.1 2,-0.3 0.575 110.0 63.6 71.1 11.9 9.8 9.7 -8.5 4 4 A S E < -a 30 0A 38 -3,-0.7 2,-0.3 25,-0.2 27,-0.2 -0.971 60.1-167.4-149.6 164.5 6.3 8.7 -9.0 5 5 A V E -a 31 0A 39 25,-1.7 27,-2.9 -2,-0.3 2,-0.4 -0.966 17.0-138.4-150.3 134.5 4.3 5.6 -10.0 6 6 A D E -a 32 0A 114 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.802 29.4-179.4 -88.0 134.2 0.7 5.0 -11.0 7 7 A I E -a 33 0A 0 25,-3.2 27,-2.4 -2,-0.4 2,-0.4 -0.998 11.4-158.0-140.5 139.7 -0.7 1.8 -9.5 8 8 A Q E -a 34 0A 82 -2,-0.4 8,-2.0 25,-0.2 2,-0.5 -0.952 8.2-161.4-120.0 140.5 -4.2 0.1 -9.7 9 9 A G B -C 15 0B 0 25,-1.9 6,-0.2 -2,-0.4 2,-0.1 -0.984 24.1-164.8-114.4 123.5 -6.1 -2.3 -7.5 10 10 A N > - 0 0 49 4,-1.9 3,-1.7 -2,-0.5 4,-0.3 -0.373 39.9 -90.0-104.1 179.4 -8.9 -4.1 -9.4 11 11 A D T 3 S+ 0 0 19 1,-0.3 26,-0.1 2,-0.1 34,-0.0 0.391 121.0 66.4 -67.3 7.4 -12.0 -6.2 -8.5 12 12 A Q T 3 S- 0 0 63 2,-0.2 -1,-0.3 32,-0.1 3,-0.1 0.282 115.4-109.0-112.9 5.3 -9.6 -9.2 -8.6 13 13 A M S < S+ 0 0 82 -3,-1.7 2,-0.5 1,-0.2 -2,-0.1 0.856 76.1 137.5 60.9 36.0 -7.5 -8.3 -5.7 14 14 A Q - 0 0 102 -4,-0.3 -4,-1.9 107,-0.1 2,-0.4 -0.951 49.7-149.6-115.3 131.4 -4.6 -7.5 -8.0 15 15 A F B -C 9 0B 23 -2,-0.5 -6,-0.2 107,-0.2 107,-0.1 -0.774 27.2-128.0 -81.4 142.5 -2.2 -4.6 -8.0 16 16 A N S S+ 0 0 87 -8,-2.0 2,-0.3 -2,-0.4 -7,-0.1 0.439 92.8 29.9 -75.5 0.8 -1.2 -3.9 -11.6 17 17 A T - 0 0 40 -9,-0.3 3,-0.1 1,-0.0 -2,-0.1 -0.977 56.3-169.8-149.4 153.3 2.4 -4.1 -10.5 18 18 A N S S+ 0 0 116 -2,-0.3 106,-2.6 1,-0.2 2,-0.4 0.399 72.9 57.8-126.3 4.0 4.3 -6.0 -7.9 19 19 A A E -d 124 0C 54 104,-0.2 2,-0.5 2,-0.0 -1,-0.2 -0.945 59.1-173.9-136.9 112.4 7.8 -4.5 -7.9 20 20 A I E -d 125 0C 5 104,-2.8 106,-2.0 -2,-0.4 2,-0.5 -0.921 6.3-162.1-103.3 130.4 8.3 -0.8 -7.3 21 21 A T E -d 126 0C 82 -2,-0.5 2,-0.6 104,-0.2 106,-0.2 -0.957 5.1-155.8-107.6 127.9 11.8 0.7 -7.6 22 22 A V E -d 127 0C 0 104,-3.0 106,-0.9 -2,-0.5 2,-0.4 -0.932 23.5-119.2-104.1 123.5 12.4 4.1 -6.0 23 23 A D > - 0 0 62 -2,-0.6 3,-2.8 104,-0.2 104,-0.1 -0.445 14.6-134.0 -64.0 118.5 15.3 6.1 -7.6 24 24 A K T 3 S+ 0 0 131 104,-3.1 -1,-0.2 -2,-0.4 103,-0.1 0.693 103.3 55.7 -37.7 -29.7 18.0 6.7 -5.0 25 25 A S T 3 S+ 0 0 100 103,-0.3 2,-0.4 3,-0.0 -1,-0.3 0.191 76.8 109.6-104.7 13.7 18.1 10.4 -6.1 26 26 A a < - 0 0 8 -3,-2.8 73,-0.1 1,-0.2 3,-0.1 -0.750 54.2-157.3 -78.1 134.5 14.4 11.3 -5.6 27 27 A K S S+ 0 0 173 -2,-0.4 72,-2.5 1,-0.2 73,-0.5 0.938 82.9 11.7 -72.3 -45.3 14.0 13.7 -2.7 28 28 A Q E S- B 0 98A 81 70,-0.2 2,-0.4 71,-0.1 -1,-0.2 -0.844 70.7-145.6-128.1 159.7 10.3 12.5 -2.5 29 29 A F E - B 0 97A 4 68,-2.5 68,-2.1 -2,-0.3 2,-0.4 -0.989 9.9-156.3-129.5 139.8 8.3 9.7 -4.0 30 30 A T E -aB 4 96A 31 -27,-1.6 -25,-1.7 -2,-0.4 2,-0.5 -0.946 4.4-162.0-121.2 130.6 4.7 9.6 -5.0 31 31 A V E -aB 5 95A 0 64,-2.8 64,-2.0 -2,-0.4 2,-0.7 -0.949 6.0-161.4-109.2 121.7 2.3 6.7 -5.3 32 32 A N E -aB 6 94A 36 -27,-2.9 -25,-3.2 -2,-0.5 2,-0.5 -0.895 14.2-169.7-104.5 101.0 -0.9 7.4 -7.4 33 33 A L E +aB 7 93A 0 60,-2.6 60,-2.6 -2,-0.7 2,-0.3 -0.822 9.9 169.8 -99.8 126.5 -3.4 4.7 -6.4 34 34 A S E -aB 8 92A 34 -27,-2.4 -25,-1.9 -2,-0.5 58,-0.2 -0.789 24.2-141.0-125.7 172.2 -6.6 4.2 -8.4 35 35 A H + 0 0 5 56,-1.2 55,-2.5 -2,-0.3 -25,-0.2 -0.890 17.2 178.3-137.3 102.9 -9.4 1.6 -8.5 36 36 A P + 0 0 52 0, 0.0 3,-0.2 0, 0.0 54,-0.1 -0.025 49.7 69.1 -78.6-158.6 -11.0 0.4 -11.8 37 37 A G S S- 0 0 28 1,-0.2 53,-0.3 52,-0.1 -2,-0.1 -0.008 88.0 -96.9 65.6 176.4 -13.6 -2.3 -11.5 38 38 A N S S+ 0 0 141 51,-0.1 -1,-0.2 52,-0.1 -28,-0.0 0.391 75.3 115.7-118.8 1.5 -17.1 -1.8 -10.0 39 39 A L - 0 0 8 -3,-0.2 50,-1.6 1,-0.1 360,-0.1 -0.599 60.8-119.2 -89.4 135.7 -16.9 -3.0 -6.4 40 40 A P >> - 0 0 36 0, 0.0 4,-2.9 0, 0.0 3,-1.1 -0.001 28.9-100.4 -65.3 172.0 -17.4 -0.7 -3.5 41 41 A K H 3> S+ 0 0 79 1,-0.3 4,-0.7 2,-0.2 46,-0.1 0.750 118.3 56.3 -64.8 -29.8 -14.9 0.1 -0.7 42 42 A N H 34 S+ 0 0 73 2,-0.2 463,-1.4 1,-0.1 -1,-0.3 0.575 118.5 31.5 -85.3 -8.5 -16.6 -2.2 1.8 43 43 A V H <4 S+ 0 0 8 -3,-1.1 -2,-0.2 461,-0.2 -1,-0.1 0.759 139.0 13.8-110.6 -45.3 -16.3 -5.2 -0.4 44 44 A M H < S+ 0 0 12 -4,-2.9 -2,-0.2 460,-0.1 -3,-0.1 -0.343 81.0 164.6-131.9 50.1 -13.1 -4.6 -2.5 45 45 A G < - 0 0 1 -4,-0.7 2,-0.4 43,-0.1 69,-0.2 -0.378 14.0-168.5 -69.9 143.0 -11.3 -1.8 -0.7 46 46 A H B +H 87 0D 3 41,-2.1 41,-2.9 -37,-0.1 2,-0.3 -0.996 12.7 171.2-134.3 131.4 -7.7 -1.2 -1.5 47 47 A N - 0 0 0 -2,-0.4 2,-0.6 39,-0.3 39,-0.1 -0.889 30.2-129.5-121.1 162.8 -5.1 0.9 0.2 48 48 A W - 0 0 0 37,-0.3 36,-1.9 -2,-0.3 2,-0.4 -0.979 32.0-179.6-111.7 115.4 -1.4 1.0 -0.6 49 49 A V E -EF 83 111C 0 62,-2.0 62,-1.6 -2,-0.6 2,-0.4 -0.970 12.6-152.8-122.9 134.5 0.6 0.7 2.6 50 50 A L E +EF 82 110C 0 32,-3.5 31,-2.9 -2,-0.4 32,-1.0 -0.908 29.0 136.0-113.6 131.4 4.4 0.6 2.9 51 51 A S E - F 0 109C 0 58,-2.0 58,-2.9 -2,-0.4 29,-0.1 -0.934 56.5 -75.9-153.1 173.3 6.5 -1.1 5.6 52 52 A T E > - F 0 108C 6 27,-0.4 4,-1.7 -2,-0.3 56,-0.3 -0.359 47.0-112.3 -67.3 158.3 9.6 -3.2 6.0 53 53 A A H > S+ 0 0 38 54,-2.6 4,-0.6 1,-0.2 3,-0.2 0.933 118.5 55.8 -55.1 -47.1 9.2 -6.8 5.0 54 54 A A H 4 S+ 0 0 86 53,-0.3 4,-0.5 1,-0.2 3,-0.4 0.896 111.1 42.1 -52.6 -45.8 9.7 -7.7 8.6 55 55 A D H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.781 89.1 89.6 -77.1 -29.6 6.8 -5.5 9.8 56 56 A M H X S+ 0 0 31 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.812 86.9 49.9 -36.4 -53.9 4.3 -6.3 7.1 57 57 A Q H X S+ 0 0 111 -4,-0.6 4,-2.4 -3,-0.4 3,-0.3 0.969 113.9 43.5 -55.6 -56.7 2.7 -9.2 8.8 58 58 A G H > S+ 0 0 18 -4,-0.5 4,-2.4 1,-0.2 5,-0.3 0.883 112.8 53.3 -55.5 -42.4 2.1 -7.4 12.2 59 59 A V H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 15,-0.3 0.881 110.9 47.1 -62.1 -39.6 0.9 -4.3 10.4 60 60 A V H X S+ 0 0 7 -4,-2.2 4,-3.1 -3,-0.3 5,-0.3 0.934 112.0 48.0 -67.7 -47.3 -1.7 -6.3 8.5 61 61 A T H X S+ 0 0 75 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.934 116.9 41.7 -64.4 -47.8 -3.0 -8.3 11.5 62 62 A D H < S+ 0 0 55 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.790 114.1 56.2 -68.1 -27.0 -3.4 -5.2 13.7 63 63 A G H >X S+ 0 0 0 -4,-1.2 3,-1.7 -5,-0.3 4,-0.6 0.945 107.4 44.5 -71.6 -49.7 -4.8 -3.4 10.6 64 64 A M H >< S+ 0 0 52 -4,-3.1 3,-0.9 1,-0.3 -2,-0.2 0.878 110.0 57.7 -61.6 -35.6 -7.6 -5.9 9.9 65 65 A A T 3< S+ 0 0 87 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.442 97.4 65.7 -73.8 1.0 -8.3 -5.9 13.7 66 66 A S T <4 S- 0 0 30 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.698 98.4-140.4 -94.4 -25.7 -8.8 -2.1 13.4 67 67 A G X<> - 0 0 25 -3,-0.9 5,-2.1 -4,-0.6 3,-0.8 -0.094 29.3 -62.1 92.5 175.1 -11.9 -2.2 11.2 68 68 A L G > 5S+ 0 0 50 1,-0.2 3,-2.2 3,-0.2 -1,-0.1 0.849 124.6 62.6 -69.0 -37.7 -13.3 -0.2 8.2 69 69 A D G 3 5S+ 0 0 153 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.716 105.2 49.0 -60.1 -24.1 -13.6 3.1 10.1 70 70 A K G X 5S- 0 0 107 -3,-0.8 3,-2.4 -4,-0.2 -1,-0.3 0.023 116.9-113.7-103.5 24.8 -9.9 3.1 10.5 71 71 A D T < 5 - 0 0 37 -3,-2.2 -3,-0.2 1,-0.3 42,-0.2 0.761 67.9 -70.9 49.9 26.3 -9.2 2.3 6.8 72 72 A Y T 3 - 0 0 91 -2,-0.4 3,-1.5 -15,-0.3 2,-0.1 -0.598 46.3-102.5 -68.8 129.5 -3.8 0.7 13.4 75 75 A P T 3 S- 0 0 72 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.420 102.9 -1.5 -54.8 125.4 -4.0 4.4 14.5 76 76 A D T 3 S+ 0 0 163 1,-0.2 2,-1.0 -2,-0.1 -2,-0.0 0.885 80.8 179.9 55.3 45.9 -0.5 5.7 14.6 77 77 A D X - 0 0 16 -3,-1.5 3,-1.7 1,-0.2 -1,-0.2 -0.714 15.6-159.0 -74.6 108.5 1.1 2.4 13.6 78 78 A S T 3 S+ 0 0 123 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.454 85.2 68.9 -73.4 1.9 4.7 3.5 13.6 79 79 A R T 3 S+ 0 0 37 -24,-0.1 2,-0.9 -28,-0.0 -27,-0.4 0.596 76.3 95.1 -89.1 -14.7 5.6 0.6 11.3 80 80 A V < - 0 0 24 -3,-1.7 -29,-0.2 1,-0.2 3,-0.1 -0.702 52.7-175.5 -85.4 105.2 3.7 2.2 8.5 81 81 A I S S- 0 0 28 -31,-2.9 2,-0.3 -2,-0.9 -1,-0.2 0.879 71.1 -18.9 -69.4 -37.5 6.3 4.1 6.5 82 82 A A E +E 50 0C 9 -32,-1.0 -32,-3.5 -3,-0.1 -1,-0.3 -0.957 67.4 179.5-165.4 151.1 3.6 5.6 4.2 83 83 A H E -E 49 0C 89 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.995 18.5-136.2-154.7 154.9 0.0 4.8 3.2 84 84 A T - 0 0 1 -36,-1.9 11,-0.1 -2,-0.3 -52,-0.0 -0.625 42.3 -87.5 -97.9 170.6 -2.9 5.9 1.1 85 85 A K - 0 0 128 -2,-0.2 2,-0.6 9,-0.1 -37,-0.3 -0.250 50.3 -97.7 -62.1 161.1 -6.5 6.2 2.1 86 86 A L - 0 0 4 -39,-0.1 2,-0.3 -18,-0.1 -39,-0.3 -0.801 52.2-165.6 -81.3 123.7 -8.6 3.0 1.6 87 87 A I B -H 46 0D 5 -41,-2.9 -41,-2.1 -2,-0.6 2,-0.2 -0.828 15.0-156.0-116.3 152.3 -10.5 3.4 -1.7 88 88 A G > - 0 0 2 -2,-0.3 3,-2.1 1,-0.2 -53,-0.1 -0.469 53.3 -42.7-108.3-170.8 -13.4 1.8 -3.5 89 89 A S T 3 S+ 0 0 41 -50,-1.6 -1,-0.2 1,-0.3 -48,-0.1 -0.196 127.1 10.8 -63.1 139.0 -14.3 1.5 -7.2 90 90 A G T 3 S+ 0 0 69 -55,-2.5 -1,-0.3 -53,-0.3 2,-0.1 0.398 102.0 119.5 77.3 -3.5 -13.9 4.7 -9.2 91 91 A E < - 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