==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 23-SEP-03 1R1C . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.E.MILLER,C.GRADINARU,B.R.CRANE,A.J.DI BILIO . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.2 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 11.3 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 2 2 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 0 115 0, 0.0 2,-0.3 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-176.7 66.5 17.3 36.2 2 2 A E + 0 0 151 28,-0.0 3,-0.1 21,-0.0 20,-0.0 -0.867 360.0 11.6-167.2 134.8 67.4 20.8 37.4 3 3 A a S S+ 0 0 44 -2,-0.3 27,-2.4 1,-0.2 2,-0.3 0.555 117.0 79.3 63.6 19.4 66.4 24.4 36.2 4 4 A S E -a 30 0A 32 25,-0.3 2,-0.3 92,-0.1 27,-0.2 -0.962 59.2-164.6-142.3 155.4 63.8 22.6 34.0 5 5 A V E -a 31 0A 38 25,-2.8 27,-3.0 -2,-0.3 2,-0.5 -0.997 15.8-136.2-143.8 148.6 60.4 21.1 34.4 6 6 A D E -a 32 0A 107 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.898 24.5-175.4 -98.0 126.1 58.2 18.8 32.3 7 7 A I E -a 33 0A 0 25,-3.1 27,-2.2 -2,-0.5 2,-0.3 -0.983 7.4-165.2-124.9 140.7 54.5 19.7 32.0 8 8 A Q E -a 34 0A 89 -2,-0.4 8,-1.7 25,-0.2 2,-0.4 -0.919 3.5-167.8-117.7 144.1 51.7 17.7 30.3 9 9 A G B -C 15 0B 0 25,-1.9 28,-0.5 -2,-0.3 6,-0.3 -0.998 23.8-167.1-124.5 132.5 48.3 19.1 29.3 10 10 A N > - 0 0 54 4,-2.2 3,-0.9 -2,-0.4 79,-0.0 -0.198 38.3 -82.2-117.4-154.4 45.8 16.4 28.3 11 11 A D T 3 S+ 0 0 35 1,-0.2 -1,-0.1 2,-0.1 24,-0.0 0.612 120.0 62.2 -81.5 -10.0 42.4 15.5 26.7 12 12 A Q T 3 S- 0 0 139 2,-0.2 -1,-0.2 32,-0.0 3,-0.1 0.222 117.8-107.2 -96.1 9.3 40.6 16.3 30.0 13 13 A M S < S+ 0 0 47 -3,-0.9 2,-0.4 1,-0.2 -2,-0.1 0.928 77.2 131.7 64.8 41.8 41.8 20.0 30.0 14 14 A Q - 0 0 87 107,-0.1 -4,-2.2 106,-0.0 2,-0.3 -0.977 53.9-143.5-127.8 143.8 44.3 19.5 32.8 15 15 A F B -C 9 0B 16 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.680 29.0-127.4 -80.8 150.6 47.9 20.3 33.4 16 16 A N S S+ 0 0 92 -8,-1.7 2,-0.4 -2,-0.3 -7,-0.1 0.757 91.9 37.7 -79.3 -17.4 49.6 17.5 35.4 17 17 A T - 0 0 43 -9,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.963 54.9-166.1-128.0 149.4 50.8 20.0 37.9 18 18 A N S S+ 0 0 107 -2,-0.4 106,-2.9 1,-0.2 2,-0.4 0.315 78.5 48.5-108.1 5.8 49.3 23.1 39.5 19 19 A A E -d 124 0C 47 104,-0.2 2,-0.4 90,-0.0 106,-0.2 -0.959 56.4-178.7-153.5 133.1 52.6 24.4 41.1 20 20 A I E -d 125 0C 5 104,-3.2 106,-3.8 -2,-0.4 2,-0.4 -0.978 7.8-163.3-126.6 135.4 56.1 25.0 39.8 21 21 A T E -d 126 0C 80 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.959 6.1-153.2-118.8 144.6 59.1 26.3 41.7 22 22 A V E -d 127 0C 0 104,-2.7 106,-3.2 -2,-0.4 2,-0.3 -0.970 23.8-116.9-122.6 131.4 62.3 27.6 40.1 23 23 A D > - 0 0 64 -2,-0.5 3,-1.8 105,-0.2 104,-0.1 -0.381 16.5-140.9 -60.4 116.1 65.7 27.5 41.9 24 24 A K T 3 S+ 0 0 135 -2,-0.3 -1,-0.2 1,-0.3 103,-0.0 0.662 100.0 69.3 -59.3 -6.1 66.8 31.0 42.5 25 25 A S T 3 S+ 0 0 90 74,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.881 78.5 97.0 -78.6 -32.7 70.2 29.7 41.6 26 26 A a < - 0 0 9 -3,-1.8 3,-0.1 1,-0.1 74,-0.0 -0.256 57.8-161.2 -55.3 131.4 69.3 29.1 38.0 27 27 A K S S+ 0 0 166 1,-0.2 72,-1.6 72,-0.1 73,-0.8 0.832 84.8 15.4 -72.2 -37.1 70.2 31.8 35.5 28 28 A Q E S- B 0 98A 93 70,-0.3 2,-0.3 71,-0.2 70,-0.2 -0.904 71.4-150.5-137.9 155.0 67.6 30.4 33.1 29 29 A F E - B 0 97A 6 68,-2.1 68,-2.3 -2,-0.3 2,-0.4 -0.994 8.7-147.7-138.9 141.0 64.7 27.9 33.5 30 30 A T E -aB 4 96A 34 -27,-2.4 -25,-2.8 -2,-0.3 2,-0.5 -0.909 6.1-164.8-117.7 133.7 63.2 25.5 31.0 31 31 A V E -aB 5 95A 0 64,-3.1 64,-2.1 -2,-0.4 2,-0.7 -0.963 5.7-164.2-112.2 118.1 59.6 24.3 30.5 32 32 A N E -aB 6 94A 46 -27,-3.0 -25,-3.1 -2,-0.5 2,-0.4 -0.909 13.7-164.4-101.3 110.3 59.1 21.2 28.4 33 33 A L E +aB 7 93A 3 60,-3.4 60,-1.9 -2,-0.7 2,-0.3 -0.826 11.0 174.4-101.9 135.1 55.5 20.9 27.4 34 34 A S E -aB 8 92A 43 -27,-2.2 -25,-1.9 -2,-0.4 58,-0.2 -0.930 25.8-143.2-130.8 162.4 53.8 17.8 26.0 35 35 A H + 0 0 4 56,-1.6 55,-2.7 -2,-0.3 56,-0.3 -0.843 15.4 177.6-126.8 95.7 50.3 16.6 25.1 36 36 A P + 0 0 74 0, 0.0 -26,-0.1 0, 0.0 -1,-0.1 0.266 54.3 96.7 -78.6 7.7 49.7 12.9 25.9 37 37 A G S S- 0 0 7 -28,-0.5 53,-0.4 2,-0.1 -2,-0.1 -0.098 74.9-128.2 -81.5-176.7 46.1 13.1 24.7 38 38 A N S S+ 0 0 141 51,-0.1 -1,-0.1 2,-0.1 -28,-0.0 0.433 73.6 101.2-111.4 -7.5 44.5 12.1 21.3 39 39 A L S S- 0 0 66 5,-0.1 50,-1.9 1,-0.1 -2,-0.1 -0.553 72.5-116.6 -82.4 149.8 42.6 15.3 20.5 40 40 A P >> - 0 0 65 0, 0.0 4,-2.1 0, 0.0 3,-1.7 -0.330 28.0-101.2 -80.1 168.4 44.0 17.8 18.0 41 41 A K H 3> S+ 0 0 84 1,-0.3 4,-1.0 2,-0.2 46,-0.1 0.703 114.2 62.2 -69.5 -19.4 45.1 21.3 18.8 42 42 A N H 34 S+ 0 0 103 2,-0.2 -1,-0.3 1,-0.2 26,-0.0 0.596 118.2 27.4 -83.8 0.8 42.0 23.1 17.4 43 43 A V H <4 S+ 0 0 69 -3,-1.7 -2,-0.2 71,-0.0 -1,-0.2 0.635 143.4 13.1-122.1 -20.7 39.7 21.4 19.9 44 44 A M H < S+ 0 0 20 -4,-2.1 -2,-0.2 2,-0.0 -3,-0.2 -0.198 83.0 159.9-149.0 43.8 42.0 20.7 22.9 45 45 A G < - 0 0 0 -4,-1.0 2,-0.4 43,-0.1 43,-0.2 -0.362 17.8-165.7 -69.6 148.0 45.1 22.8 22.1 46 46 A H B +H 87 0D 1 41,-2.1 41,-3.2 -37,-0.1 2,-0.3 -0.996 12.0 175.3-136.9 141.1 47.4 23.7 25.0 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.3 39,-0.1 -0.879 30.1-123.7-129.1 170.9 50.2 26.1 25.4 48 48 A F + 0 0 0 -2,-0.3 36,-1.7 37,-0.3 2,-0.4 -0.990 35.1 174.6-119.9 117.9 52.3 27.1 28.4 49 49 A V E -EF 83 111C 0 62,-1.9 62,-1.5 -2,-0.5 2,-0.5 -0.986 12.5-160.1-128.5 128.5 52.1 30.8 29.1 50 50 A L E +EF 82 110C 0 32,-3.2 31,-3.4 -2,-0.4 32,-1.1 -0.896 24.4 139.1-119.0 133.0 53.6 32.6 32.1 51 51 A S E - F 0 109C 0 58,-2.2 58,-2.6 -2,-0.5 29,-0.1 -0.913 55.6 -75.5-148.1 178.8 52.8 36.0 33.5 52 52 A T E > - F 0 108C 20 27,-0.4 4,-0.7 -2,-0.3 3,-0.4 -0.435 51.2-105.6 -72.6 164.5 52.3 37.7 36.9 53 53 A A T 4 S+ 0 0 52 54,-2.6 3,-0.4 1,-0.2 4,-0.4 0.844 119.7 51.1 -57.0 -36.4 49.0 36.8 38.7 54 54 A A T 4 S+ 0 0 88 53,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.737 108.1 47.8 -82.7 -25.1 47.7 40.2 37.8 55 55 A D T > S+ 0 0 61 -3,-0.4 4,-2.3 1,-0.1 5,-0.3 0.579 88.3 92.6 -84.4 -4.9 48.3 40.2 34.1 56 56 A M H X S+ 0 0 27 -4,-0.7 4,-2.0 -3,-0.4 5,-0.3 0.932 83.9 46.8 -57.2 -48.4 46.8 36.7 33.7 57 57 A Q H > S+ 0 0 127 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.915 113.2 50.0 -63.4 -41.5 43.2 37.7 32.9 58 58 A G H > S+ 0 0 24 -4,-0.4 4,-2.3 1,-0.2 5,-0.3 0.905 110.7 47.8 -62.5 -43.0 44.4 40.3 30.3 59 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 15,-0.3 0.909 113.1 49.0 -67.9 -33.0 46.7 37.9 28.5 60 60 A V H X S+ 0 0 17 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.966 111.9 48.8 -67.5 -51.4 44.0 35.2 28.4 61 61 A T H X S+ 0 0 71 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.946 117.0 38.4 -58.8 -48.3 41.4 37.6 27.1 62 62 A D H X S+ 0 0 57 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.777 110.9 61.6 -74.6 -20.8 43.4 39.1 24.3 63 63 A G H X S+ 0 0 0 -4,-1.4 4,-1.0 -5,-0.3 -1,-0.2 0.936 102.7 51.8 -70.6 -38.6 44.9 35.7 23.6 64 64 A M H >< S+ 0 0 114 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.930 108.9 49.3 -56.9 -48.5 41.5 34.5 22.8 65 65 A A H 3< S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 100.8 65.2 -63.6 -32.9 40.9 37.4 20.3 66 66 A S H 3< S- 0 0 25 -4,-2.1 4,-0.3 -5,-0.1 -1,-0.2 0.818 100.6-146.1 -64.5 -24.7 44.2 36.7 18.6 67 67 A G X<> - 0 0 21 -4,-1.0 5,-2.6 -3,-0.8 3,-1.1 0.014 23.0 -57.6 93.3 162.3 42.9 33.4 17.4 68 68 A L G > 5S+ 0 0 60 1,-0.3 3,-2.1 3,-0.2 18,-0.2 0.910 125.2 54.2 -59.2 -47.2 44.1 29.9 16.6 69 69 A D G 3 5S+ 0 0 156 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.704 107.8 52.7 -63.7 -20.1 46.8 30.7 14.0 70 70 A K G X 5S- 0 0 118 -3,-1.1 3,-1.0 -4,-0.3 -1,-0.3 0.175 120.4-107.9 -99.5 19.5 48.4 33.0 16.5 71 71 A D T < 5 - 0 0 46 -3,-2.1 -3,-0.2 1,-0.2 42,-0.2 0.784 63.8 -74.1 65.3 26.4 48.6 30.3 19.2 72 72 A F T 3 - 0 0 93 -2,-0.3 3,-1.3 -15,-0.3 -11,-0.1 -0.584 47.4-105.9 -68.6 125.8 48.7 38.5 21.2 75 75 A P T 3 S- 0 0 74 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.291 97.0 -1.5 -59.2 138.9 51.9 38.9 19.2 76 76 A D T 3 S- 0 0 159 1,-0.2 2,-0.6 2,-0.1 -2,-0.0 0.859 83.9-176.5 47.5 41.8 54.7 40.4 21.3 77 77 A D X - 0 0 11 -3,-1.3 3,-1.4 1,-0.2 -1,-0.2 -0.600 19.4-148.4 -69.2 118.2 52.5 40.8 24.3 78 78 A S T 3 S+ 0 0 125 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.590 90.1 62.0 -70.7 -12.8 54.6 42.6 26.8 79 79 A R T 3 S+ 0 0 54 -24,-0.1 2,-0.6 -28,-0.0 -27,-0.4 0.627 80.6 99.8 -84.3 -12.7 53.0 40.9 29.9 80 80 A V < - 0 0 23 -3,-1.4 -29,-0.2 1,-0.2 3,-0.1 -0.685 47.8-176.2 -84.8 117.8 54.1 37.5 28.8 81 81 A I S S- 0 0 30 -31,-3.4 2,-0.3 -2,-0.6 -1,-0.2 0.828 74.0 -5.7 -79.2 -36.5 57.2 36.2 30.6 82 82 A A E -E 50 0C 6 -32,-1.1 -32,-3.2 15,-0.1 -1,-0.3 -0.981 67.3-178.2-159.1 143.2 57.4 33.0 28.7 83 83 A Q E -E 49 0C 74 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.996 11.0-159.8-147.7 144.1 55.3 31.2 26.1 84 84 A T - 0 0 4 -36,-1.7 2,-0.1 -2,-0.3 11,-0.1 -0.620 38.3 -92.7-103.6 178.8 55.3 28.0 24.0 85 85 A K - 0 0 86 -2,-0.2 2,-0.5 9,-0.1 -37,-0.3 -0.393 48.7 -92.0 -81.1 170.7 53.4 27.4 20.9 86 86 A L - 0 0 1 -18,-0.2 2,-0.3 -39,-0.1 -39,-0.3 -0.688 53.1-171.6 -78.1 125.8 49.9 25.9 21.0 87 87 A I B -H 46 0D 0 -41,-3.2 -41,-2.1 -2,-0.5 2,-0.2 -0.868 11.6-165.2-119.6 158.8 50.2 22.1 20.6 88 88 A G > - 0 0 1 -2,-0.3 3,-2.3 1,-0.2 -53,-0.2 -0.553 51.5 -20.9-125.8-159.7 47.9 19.2 20.2 89 89 A S T 3 S+ 0 0 43 -50,-1.9 -1,-0.2 1,-0.3 -51,-0.1 0.015 128.0 0.9 -48.5 131.4 48.0 15.4 20.5 90 90 A G T 3 S+ 0 0 69 -55,-2.7 -1,-0.3 -53,-0.4 2,-0.1 0.479 105.5 119.6 77.9 -4.4 51.5 13.9 20.4 91 91 A E < - 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