==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-JAN-97 1ETJ . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.G.KARLSSON,L.-C.TSAI,H.NAR,J.SANDERS-LOEHR,N.BONANDER, . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 65.8 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 . 102 19.9 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 . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 14.1 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 2 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 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 . 6 6 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 . 2 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 0 112 0, 0.0 2,-0.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-169.6 30.0 -13.7 4.6 2 2 A E - 0 0 181 1,-0.3 3,-0.1 27,-0.0 0, 0.0 -0.655 360.0 -24.4 -78.5 111.4 28.5 -12.2 1.4 3 3 A a S S+ 0 0 33 -2,-0.7 27,-2.9 1,-0.1 2,-0.3 0.594 128.6 87.7 58.7 21.6 29.4 -8.4 1.5 4 4 A S E -a 30 0A 29 -3,-0.5 2,-0.3 25,-0.2 27,-0.2 -0.988 55.1-163.8-145.1 152.1 29.5 -8.6 5.3 5 5 A V E -a 31 0A 25 25,-2.0 27,-2.0 -2,-0.3 2,-0.6 -0.957 12.2-148.1-132.8 142.7 32.1 -9.4 7.9 6 6 A D E +a 32 0A 97 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.978 27.7 176.6-115.0 116.0 31.4 -10.3 11.6 7 7 A I E -a 33 0A 0 25,-2.0 27,-1.8 -2,-0.6 2,-0.4 -0.785 13.7-145.9-120.7 155.6 34.2 -9.0 13.7 8 8 A Q E -a 34 0A 83 -2,-0.3 8,-0.8 25,-0.2 2,-0.5 -0.970 11.2-160.0-132.9 149.3 34.7 -9.0 17.5 9 9 A G B -C 15 0B 0 25,-2.2 2,-0.2 -2,-0.4 6,-0.2 -0.995 24.9-168.7-124.1 120.6 36.2 -6.9 20.1 10 10 A N > - 0 0 34 4,-1.3 3,-1.2 -2,-0.5 4,-0.3 -0.541 38.4 -92.5-110.2 172.4 37.0 -8.7 23.3 11 11 A D T 3 S+ 0 0 22 1,-0.3 26,-0.1 25,-0.3 34,-0.0 0.467 121.8 56.2 -66.0 -4.3 38.0 -7.8 26.8 12 12 A Q T 3 S- 0 0 131 2,-0.1 -1,-0.3 32,-0.0 25,-0.0 -0.192 117.0-111.3-116.9 40.3 41.7 -8.2 26.0 13 13 A M S < S+ 0 0 43 -3,-1.2 2,-0.3 1,-0.1 -2,-0.1 0.843 70.3 127.3 27.1 77.3 41.4 -5.7 23.2 14 14 A Q - 0 0 95 -4,-0.3 -4,-1.3 107,-0.1 2,-0.3 -0.967 52.9-128.0-142.9 160.0 41.9 -7.6 20.1 15 15 A F B -C 9 0B 23 105,-0.4 -6,-0.2 -2,-0.3 107,-0.1 -0.752 20.2-128.3-104.4 155.0 40.0 -8.0 16.9 16 16 A N S S+ 0 0 84 -8,-0.8 2,-0.3 -2,-0.3 -7,-0.1 0.419 93.5 23.0 -88.0 4.2 39.1 -11.6 15.6 17 17 A T - 0 0 38 -9,-0.2 -2,-0.1 1,-0.0 3,-0.1 -0.941 55.7-163.5-157.2 170.0 40.6 -10.8 12.1 18 18 A N S S+ 0 0 113 -2,-0.3 106,-2.3 1,-0.2 2,-0.3 0.189 75.0 61.5-147.2 12.1 43.1 -8.3 10.8 19 19 A A E -d 124 0C 50 104,-0.3 2,-0.4 2,-0.0 -1,-0.2 -0.968 55.2-177.1-150.9 116.9 42.3 -8.4 7.2 20 20 A I E -d 125 0C 5 104,-2.8 106,-2.5 -2,-0.3 2,-0.6 -0.986 7.6-164.2-122.4 132.7 39.0 -7.5 5.5 21 21 A T E -d 126 0C 71 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.971 2.8-164.0-120.0 115.1 38.6 -7.9 1.7 22 22 A V E -d 127 0C 0 104,-2.4 106,-2.3 -2,-0.6 2,-0.4 -0.885 18.0-133.9 -98.8 130.7 35.7 -6.1 0.2 23 23 A D > - 0 0 69 -2,-0.5 3,-2.1 104,-0.2 104,-0.1 -0.725 11.5-128.4 -85.5 137.7 34.9 -7.4 -3.3 24 24 A K T 3 S+ 0 0 129 104,-2.5 -1,-0.1 -2,-0.4 103,-0.0 0.687 105.8 67.9 -54.1 -30.6 34.2 -4.8 -6.1 25 25 A S T 3 S+ 0 0 81 103,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.777 80.3 91.0 -57.3 -35.4 30.9 -6.5 -6.9 26 26 A a < - 0 0 9 -3,-2.1 3,-0.1 1,-0.2 -4,-0.0 -0.492 57.4-168.4 -68.1 130.9 29.5 -5.5 -3.5 27 27 A K S S+ 0 0 140 1,-0.2 72,-2.3 -2,-0.2 73,-0.6 0.789 80.3 20.8 -87.5 -32.4 27.7 -2.2 -3.9 28 28 A Q E S- B 0 98A 9 70,-0.2 2,-0.4 71,-0.1 -1,-0.2 -0.884 73.8-152.4-127.3 159.1 27.4 -1.9 -0.0 29 29 A F E - B 0 97A 9 68,-1.6 68,-2.0 -2,-0.3 2,-0.4 -0.997 8.3-155.4-134.2 139.3 29.5 -3.6 2.6 30 30 A T E -aB 4 96A 11 -27,-2.9 -25,-2.0 -2,-0.4 2,-0.4 -0.944 8.3-170.8-123.6 135.8 28.4 -4.4 6.2 31 31 A V E -aB 5 95A 0 64,-2.5 64,-1.9 -2,-0.4 2,-0.6 -0.979 7.2-161.3-124.2 133.8 30.4 -4.9 9.3 32 32 A N E -aB 6 94A 26 -27,-2.0 -25,-2.0 -2,-0.4 2,-0.5 -0.979 10.9-160.1-117.7 106.3 28.7 -6.2 12.4 33 33 A L E -aB 7 93A 1 60,-3.1 60,-1.4 -2,-0.6 2,-0.3 -0.855 12.4-179.4 -90.5 133.2 30.8 -5.5 15.4 34 34 A S E -aB 8 92A 19 -27,-1.8 -25,-2.2 -2,-0.5 58,-0.2 -0.941 16.7-146.2-128.4 152.3 30.1 -7.6 18.5 35 35 A H - 0 0 5 56,-2.0 55,-3.3 -2,-0.3 56,-0.3 -0.830 14.2-175.6-127.8 97.5 31.7 -7.5 22.0 36 36 A P + 0 0 53 0, 0.0 -25,-0.3 0, 0.0 3,-0.2 -0.310 47.4 57.6 -69.7 168.9 32.2 -10.7 24.1 37 37 A G S S- 0 0 36 -27,-0.2 -2,-0.1 1,-0.1 -28,-0.0 -0.509 85.0 -95.2 97.6-172.5 33.6 -10.6 27.7 38 38 A N S S+ 0 0 148 -2,-0.2 -1,-0.1 51,-0.1 -28,-0.0 0.275 76.3 116.6-125.8 7.6 32.2 -8.8 30.7 39 39 A L - 0 0 71 -3,-0.2 50,-0.8 5,-0.1 5,-0.1 -0.717 62.7-120.9 -91.3 131.5 34.2 -5.5 30.9 40 40 A P >> - 0 0 59 0, 0.0 4,-2.9 0, 0.0 3,-1.7 -0.081 22.5 -97.8 -82.3 168.3 32.1 -2.4 30.5 41 41 A K H 3> S+ 0 0 79 1,-0.3 4,-1.4 2,-0.2 46,-0.1 0.822 118.5 52.7 -51.0 -42.0 32.2 0.4 27.9 42 42 A N H 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.2 26,-0.1 0.773 121.0 35.1 -70.8 -20.2 34.2 3.0 29.9 43 43 A V H <4 S+ 0 0 74 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.757 140.5 5.2-103.1 -30.8 36.9 0.4 30.6 44 44 A M H < S+ 0 0 25 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 -0.175 78.4 158.1-151.6 48.9 37.0 -1.6 27.3 45 45 A G < - 0 0 0 -4,-1.4 2,-0.3 -5,-0.2 43,-0.2 -0.465 19.0-165.4 -72.9 151.6 34.7 -0.1 24.8 46 46 A H B +H 87 0D 0 41,-1.8 41,-2.7 -2,-0.1 2,-0.3 -0.938 13.6 175.6-137.3 158.5 35.3 -0.8 21.1 47 47 A N - 0 0 1 -2,-0.3 2,-0.5 39,-0.2 39,-0.1 -0.925 30.2-122.3-154.2 158.3 34.2 0.6 17.8 48 48 A W + 0 0 0 -2,-0.3 36,-1.7 37,-0.3 2,-0.4 -0.976 34.2 179.3-108.4 119.1 35.1 -0.2 14.1 49 49 A V E -EF 83 111C 0 62,-2.4 62,-2.3 -2,-0.5 2,-0.4 -0.957 11.9-158.1-122.6 143.1 36.4 2.9 12.2 50 50 A L E +EF 82 110C 0 32,-2.1 31,-2.5 -2,-0.4 32,-0.7 -0.981 26.5 140.1-119.6 129.6 37.6 3.0 8.6 51 51 A S E - F 0 109C 0 58,-2.1 58,-2.1 -2,-0.4 2,-0.2 -0.886 57.1 -78.3-147.9-177.5 40.0 5.6 7.2 52 52 A T E > - F 0 108C 16 27,-0.5 4,-2.0 -2,-0.3 56,-0.3 -0.570 48.0-111.2 -78.5 157.5 42.9 5.6 4.7 53 53 A A T 4 S+ 0 0 30 54,-2.7 4,-0.4 1,-0.2 -1,-0.1 0.842 117.8 53.9 -60.4 -29.2 46.1 4.4 6.3 54 54 A A T 4 S+ 0 0 90 53,-0.3 3,-0.4 1,-0.2 4,-0.4 0.935 110.5 44.3 -71.0 -41.1 47.5 7.9 6.1 55 55 A D T >> S+ 0 0 62 1,-0.2 3,-1.6 2,-0.1 4,-1.3 0.869 89.6 92.1 -72.3 -31.1 44.7 9.5 7.9 56 56 A M H 3X S+ 0 0 28 -4,-2.0 4,-2.8 1,-0.3 5,-0.2 0.686 82.6 50.5 -29.4 -55.2 44.5 6.8 10.7 57 57 A Q H 3> S+ 0 0 142 -4,-0.4 4,-3.0 -3,-0.4 -1,-0.3 0.921 112.6 49.0 -56.6 -43.3 46.8 8.5 13.3 58 58 A G H <> S+ 0 0 18 -3,-1.6 4,-3.0 -4,-0.4 5,-0.4 0.937 110.4 47.2 -66.8 -51.4 44.9 11.7 13.0 59 59 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 15,-0.4 0.918 114.8 50.0 -54.6 -43.1 41.4 10.2 13.4 60 60 A V H X S+ 0 0 20 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.934 113.7 43.4 -64.1 -50.0 42.8 8.3 16.4 61 61 A T H X S+ 0 0 65 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.966 118.1 43.0 -60.9 -55.8 44.3 11.3 18.1 62 62 A D H X S+ 0 0 53 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.860 115.7 49.8 -66.6 -26.8 41.4 13.6 17.5 63 63 A G H >X S+ 0 0 0 -4,-2.5 3,-1.4 -5,-0.4 4,-0.8 0.962 112.0 47.2 -70.9 -45.2 39.0 10.9 18.5 64 64 A M H >< S+ 0 0 109 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.916 111.1 53.4 -56.6 -42.2 40.9 10.1 21.7 65 65 A A H 3< S+ 0 0 64 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.633 102.7 59.8 -67.3 -24.1 41.0 13.8 22.3 66 66 A S H << S- 0 0 24 -3,-1.4 4,-0.5 -4,-0.6 -1,-0.2 0.564 99.0-136.3 -88.6 -17.8 37.2 14.1 22.0 67 67 A G X<> - 0 0 18 -4,-0.8 5,-2.7 -3,-0.7 3,-0.5 0.173 23.2 -65.1 96.4 160.0 36.1 11.7 24.8 68 68 A L G > 5S+ 0 0 69 1,-0.3 3,-2.2 3,-0.2 -1,-0.1 0.884 125.0 58.2 -52.0 -46.1 33.8 9.0 25.9 69 69 A D G 3 5S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.887 110.7 42.6 -58.7 -36.3 30.7 11.2 25.6 70 70 A K G X 5S- 0 0 67 -3,-0.5 3,-1.5 -4,-0.5 -1,-0.3 0.190 117.8-115.4 -95.2 15.9 31.6 11.7 21.9 71 71 A D T < 5 - 0 0 50 -3,-2.2 -3,-0.2 1,-0.3 42,-0.2 0.668 59.5 -75.5 53.5 31.4 32.4 7.9 21.6 72 72 A Y T 3 - 0 0 73 -15,-0.4 3,-0.9 -2,-0.4 -11,-0.1 -0.300 44.9 -96.2 -55.5 129.6 35.7 13.7 16.5 75 75 A P T 3 S- 0 0 77 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.283 98.1 -5.4 -56.5 133.8 32.3 15.0 15.3 76 76 A D T 3 S- 0 0 166 1,-0.2 2,-1.1 -3,-0.1 -2,-0.1 0.901 84.0-178.6 47.6 51.1 31.8 15.1 11.5 77 77 A D X - 0 0 16 -3,-0.9 3,-1.8 1,-0.2 -1,-0.2 -0.692 22.0-149.7 -84.7 111.7 35.3 14.1 10.9 78 78 A S T 3 S+ 0 0 124 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.0 0.500 87.0 63.6 -53.2 -9.6 35.8 14.1 7.2 79 79 A R T 3 S+ 0 0 55 -24,-0.1 2,-0.6 -28,-0.0 -27,-0.5 0.652 78.7 87.0 -98.4 -13.0 38.5 11.3 7.3 80 80 A V < - 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