==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 30-AUG-01 1JVO . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR I.M.C.VAN AMSTERDAM,M.UBBINK,O.EINSLE,A.MESSERSCHMIDT, . 1536 12 18 12 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1036 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 300 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 . 12 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 . 150 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 203 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 12 0 0 0 0 0 0 8 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 12 12 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 . 24 12 0 24 0 0 12 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 12 0 12 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 0 131 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-142.8 39.8 46.3 -14.4 2 2 A E - 0 0 154 1,-0.2 3,-0.1 20,-0.0 20,-0.1 -0.913 360.0 -7.1-109.6 126.5 41.8 48.9 -12.6 3 3 A a S S+ 0 0 28 -2,-0.5 27,-1.0 1,-0.1 2,-0.3 0.805 121.5 76.1 62.6 33.7 40.6 50.0 -9.2 4 4 A S E -a 30 0A 31 -3,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.944 56.5-161.8-168.4 149.0 37.4 48.1 -9.4 5 5 A V E -a 31 0A 35 25,-2.3 27,-2.8 -2,-0.3 2,-0.6 -0.988 15.4-138.1-141.0 147.2 36.1 44.5 -9.2 6 6 A D E +a 32 0A 101 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.926 29.6 177.9-107.6 116.9 33.0 42.6 -10.2 7 7 A I E -a 33 0A 0 25,-2.6 27,-1.4 -2,-0.6 2,-0.3 -0.928 9.9-158.3-123.4 146.2 31.7 40.2 -7.6 8 8 A Q E -a 34 0A 85 -2,-0.4 8,-1.3 25,-0.2 2,-0.5 -0.945 9.6-160.4-128.6 147.7 28.6 38.0 -7.5 9 9 A G B -C 15 0B 0 25,-2.1 28,-0.6 -2,-0.3 6,-0.2 -0.983 21.5-169.6-125.9 118.8 26.5 36.2 -4.9 10 10 A N > - 0 0 43 4,-1.7 3,-1.5 -2,-0.5 4,-0.3 -0.405 40.9 -97.2-104.0 179.6 24.3 33.3 -6.0 11 11 A D T 3 S+ 0 0 22 1,-0.3 -1,-0.1 2,-0.2 34,-0.0 0.593 117.7 71.5 -70.7 -10.1 21.5 31.1 -4.6 12 12 A Q T 3 S- 0 0 109 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.250 115.8-115.5 -87.6 11.7 24.3 28.6 -3.7 13 13 A M S < S+ 0 0 2 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.863 73.4 123.5 58.2 42.9 25.3 31.1 -1.0 14 14 A Q - 0 0 86 -4,-0.3 -4,-1.7 107,-0.1 2,-0.3 -0.952 58.7-131.2-136.5 153.2 28.7 31.8 -2.5 15 15 A F B -C 9 0B 23 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.718 29.0-124.0 -93.3 149.4 30.8 34.7 -3.8 16 16 A N S S+ 0 0 85 -8,-1.3 2,-0.2 -2,-0.3 -7,-0.1 -0.016 94.2 16.3 -85.3 33.9 32.5 34.2 -7.2 17 17 A T - 0 0 47 -9,-0.2 3,-0.1 105,-0.1 -2,-0.1 -0.801 54.5-156.5 169.7 152.9 35.9 34.9 -5.5 18 18 A N S S+ 0 0 60 -2,-0.2 106,-2.6 1,-0.2 2,-0.3 0.218 76.7 63.1-129.9 13.1 37.4 35.0 -2.0 19 19 A A E -d 124 0C 53 104,-0.3 2,-0.4 90,-0.1 106,-0.2 -0.936 53.9-178.3-145.8 117.8 40.4 37.3 -2.6 20 20 A I E -d 125 0C 7 104,-2.9 106,-3.7 -2,-0.3 2,-0.5 -0.956 10.6-157.6-117.8 133.7 40.4 40.9 -3.7 21 21 A T E -d 126 0C 74 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.945 3.4-156.1-114.9 123.3 43.6 42.9 -4.3 22 22 A V E -d 127 0C 0 104,-3.7 106,-1.2 -2,-0.5 2,-0.3 -0.875 17.1-132.7-101.8 118.3 43.6 46.7 -4.1 23 23 A D > - 0 0 73 -2,-0.6 3,-2.3 104,-0.2 76,-0.1 -0.524 9.7-138.2 -69.5 125.7 46.4 48.4 -6.0 24 24 A K T 3 S+ 0 0 105 104,-2.1 -1,-0.1 -2,-0.3 103,-0.0 0.797 100.6 68.5 -55.1 -30.1 48.0 51.1 -3.9 25 25 A S T 3 S+ 0 0 73 2,-0.0 -1,-0.3 74,-0.0 2,-0.2 0.676 80.7 98.2 -64.8 -17.0 48.1 53.4 -6.9 26 26 A a < - 0 0 8 -3,-2.3 3,-0.1 1,-0.2 -23,-0.0 -0.543 59.4-161.2 -76.1 135.7 44.3 53.6 -6.7 27 27 A K S S+ 0 0 172 1,-0.3 72,-1.7 -2,-0.2 73,-0.7 0.890 81.9 5.2 -78.6 -43.8 42.9 56.7 -4.9 28 28 A Q E S- B 0 98A 100 70,-0.3 -1,-0.3 71,-0.2 2,-0.3 -0.978 71.6-139.1-141.8 152.4 39.6 54.9 -4.5 29 29 A F E - B 0 97A 8 68,-2.4 68,-2.1 -2,-0.3 2,-0.4 -0.832 9.7-151.1-113.9 150.1 38.3 51.4 -5.1 30 30 A T E -aB 4 96A 32 -27,-1.0 -25,-2.3 -2,-0.3 2,-0.5 -0.975 4.3-165.5-127.0 133.8 34.9 50.2 -6.5 31 31 A V E -aB 5 95A 0 64,-2.6 64,-1.9 -2,-0.4 2,-0.7 -0.969 6.3-159.9-116.7 124.0 33.1 47.0 -5.8 32 32 A N E -aB 6 94A 30 -27,-2.8 -25,-2.6 -2,-0.5 2,-0.4 -0.909 10.5-165.5-107.8 110.3 30.2 46.0 -8.0 33 33 A L E +aB 7 93A 0 60,-2.9 60,-2.4 -2,-0.7 2,-0.3 -0.785 10.7 174.1 -97.2 137.1 27.9 43.5 -6.4 34 34 A S E -aB 8 92A 23 -27,-1.4 -25,-2.1 -2,-0.4 58,-0.2 -0.978 25.3-143.8-140.0 151.9 25.3 41.6 -8.4 35 35 A H + 0 0 3 56,-1.7 55,-2.8 -2,-0.3 -25,-0.1 -0.825 17.3 175.3-120.6 91.4 22.9 38.7 -7.6 36 36 A P + 0 0 75 0, 0.0 -26,-0.1 0, 0.0 -1,-0.1 0.333 54.3 98.5 -76.6 9.5 22.5 36.3 -10.6 37 37 A G S S- 0 0 6 -28,-0.6 53,-0.3 7,-0.1 -2,-0.1 0.061 73.1-131.5 -82.7-162.8 20.3 34.0 -8.5 38 38 A N + 0 0 139 51,-0.1 -1,-0.1 2,-0.1 -28,-0.0 0.577 69.8 102.3-125.2 -22.8 16.5 33.7 -8.4 39 39 A L S S- 0 0 48 1,-0.1 50,-2.0 5,-0.1 -2,-0.1 -0.357 71.3-116.1 -69.1 141.4 15.7 33.8 -4.7 40 40 A P >> - 0 0 46 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.290 35.1 -89.9 -76.0 163.0 14.4 37.1 -3.1 41 41 A K H 3> S+ 0 0 68 1,-0.2 4,-0.9 2,-0.2 -2,-0.1 0.672 118.9 60.1 -43.8 -33.0 16.1 39.2 -0.5 42 42 A b H 34 S+ 0 0 10 2,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.949 117.6 26.0 -62.5 -54.9 14.5 37.4 2.5 43 43 A V H <4 S+ 0 0 4 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.1 0.896 140.4 15.8 -79.4 -44.9 15.9 34.0 1.8 44 44 A M H < S+ 0 0 0 -4,-2.3 2,-0.2 2,-0.0 -3,-0.2 -0.196 78.9 153.3-128.5 45.3 19.1 34.7 -0.2 45 45 A G < - 0 0 0 -4,-0.9 2,-0.3 -5,-0.2 43,-0.2 -0.512 20.4-171.2 -75.6 139.4 19.9 38.3 0.3 46 46 A H B +H 87 0D 2 41,-2.2 41,-3.4 -2,-0.2 2,-0.3 -0.920 13.0 172.1-129.5 157.1 23.6 39.3 -0.0 47 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.2 67,-0.1 -0.884 30.9-119.9-148.2 174.3 25.6 42.4 0.6 48 48 A W + 0 0 0 -2,-0.3 36,-1.9 37,-0.2 2,-0.4 -0.980 32.0 177.9-127.4 116.2 29.4 43.2 0.6 49 49 A V E -EF 83 111C 0 62,-1.9 62,-2.1 -2,-0.5 2,-0.4 -0.977 9.9-159.8-124.1 134.9 30.9 44.4 3.8 50 50 A L E +EF 82 110C 0 32,-2.2 31,-1.6 -2,-0.4 32,-0.8 -0.903 27.1 127.4-116.1 140.7 34.5 45.2 4.5 51 51 A S E - F 0 109C 0 58,-1.8 58,-2.9 -2,-0.4 29,-0.1 -0.972 59.2 -59.7-171.8 176.2 36.4 45.4 7.8 52 52 A T E >> - F 0 108C 18 27,-0.4 3,-2.0 -2,-0.3 4,-1.2 -0.435 46.7-118.1 -70.6 143.9 39.4 44.2 9.7 53 53 A A T 34 S+ 0 0 35 54,-1.9 4,-0.5 1,-0.3 3,-0.3 0.830 117.2 59.7 -49.4 -31.6 39.6 40.4 10.3 54 54 A A T 34 S+ 0 0 89 53,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.765 107.3 42.8 -70.6 -26.7 39.4 41.4 14.0 55 55 A D T <> S+ 0 0 52 -3,-2.0 4,-2.6 2,-0.1 5,-0.2 0.575 87.6 91.8 -96.2 -11.2 36.0 43.1 13.6 56 56 A M H X S+ 0 0 18 -4,-1.2 4,-3.1 -3,-0.3 5,-0.3 0.943 85.4 48.6 -47.0 -67.4 34.2 40.6 11.4 57 57 A Q H > S+ 0 0 130 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.877 113.5 50.6 -41.0 -47.5 32.7 38.4 14.1 58 58 A G H > S+ 0 0 18 -4,-0.3 4,-2.6 2,-0.2 5,-0.3 0.954 111.8 44.5 -59.4 -53.3 31.4 41.6 15.7 59 59 A V H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.933 114.9 49.7 -57.4 -48.4 29.9 43.1 12.6 60 60 A V H X S+ 0 0 10 -4,-3.1 4,-2.0 -5,-0.2 -1,-0.2 0.908 112.6 46.4 -58.5 -45.2 28.3 39.8 11.7 61 61 A T H X S+ 0 0 63 -4,-2.8 4,-1.1 -5,-0.3 -1,-0.2 0.896 118.3 41.0 -66.8 -40.8 26.8 39.3 15.2 62 62 A D H X S+ 0 0 51 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.842 110.9 57.5 -76.4 -33.3 25.4 42.8 15.5 63 63 A G H >X S+ 0 0 0 -4,-3.1 4,-1.2 -5,-0.3 3,-0.5 0.950 102.5 54.8 -60.3 -47.6 24.2 42.9 11.9 64 64 A M H 3< S+ 0 0 52 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.900 108.7 48.5 -53.0 -42.2 22.1 39.8 12.5 65 65 A A H 3< S+ 0 0 87 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.806 99.4 67.8 -70.6 -27.6 20.4 41.6 15.4 66 66 A S H << S- 0 0 29 -4,-1.6 4,-0.3 -3,-0.5 -1,-0.2 0.859 100.2-141.6 -60.4 -36.2 19.8 44.7 13.3 67 67 A G ><> - 0 0 22 -4,-1.2 5,-2.0 -3,-0.5 3,-1.4 0.041 27.1 -65.3 93.0 158.1 17.3 42.8 11.1 68 68 A L G > 5S+ 0 0 59 1,-0.3 3,-1.8 3,-0.2 -1,-0.2 0.813 127.2 63.3 -49.1 -37.2 16.4 42.7 7.5 69 69 A D G 3 5S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.855 104.0 47.4 -57.9 -37.9 15.2 46.3 7.6 70 70 A K G X 5S- 0 0 101 -3,-1.4 3,-1.2 -4,-0.3 -1,-0.3 0.059 120.5-107.5 -91.0 22.4 18.7 47.5 8.4 71 71 A D T < 5 - 0 0 42 -3,-1.8 -3,-0.2 1,-0.3 42,-0.2 0.811 68.0 -70.8 55.9 27.9 20.2 45.5 5.7 72 72 A Y T 3 - 0 0 91 -2,-0.3 3,-1.4 -15,-0.2 -11,-0.1 -0.586 50.3 -99.8 -71.0 128.6 24.2 47.9 12.8 75 75 A P T 3 S- 0 0 77 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.225 100.2 -4.1 -52.3 133.7 23.4 51.6 11.8 76 76 A D T 3 S- 0 0 168 1,-0.2 2,-0.4 2,-0.1 -2,-0.0 0.847 83.7-173.9 49.9 42.5 26.6 53.6 11.6 77 77 A D X - 0 0 16 -3,-1.4 3,-1.0 1,-0.2 -1,-0.2 -0.536 17.1-151.8 -67.3 123.1 28.8 50.7 12.7 78 78 A S T 3 S+ 0 0 118 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.770 89.6 66.3 -69.2 -25.0 32.2 52.3 13.0 79 79 A R T 3 S+ 0 0 52 -24,-0.1 2,-0.9 1,-0.1 -27,-0.4 0.646 80.8 92.7 -71.2 -15.2 33.9 48.9 12.3 80 80 A V < - 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