==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 14-NOV-96 1URI . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER DENITRIFICANS; . AUTHOR A.ROMERO,H.NAR,R.HUBER,A.MESSERSCHMIDT . 258 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 19.4 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 . 2 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 0 0 2 0 0 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 1 1 2 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 . 4 2 0 4 0 0 2 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 0 2 2 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 97 0, 0.0 3,-1.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 147.9 -20.4 16.8 5.1 2 2 A Q T 3 - 0 0 161 1,-0.3 21,-0.4 27,-0.0 24,-0.1 -0.226 360.0 -5.5 43.2-110.6 -21.1 19.5 2.4 3 3 A a T 3 S+ 0 0 28 -2,-0.1 27,-1.6 19,-0.1 2,-0.3 -0.252 131.1 67.5-101.8 43.1 -17.9 21.6 2.1 4 4 A E E < -a 30 0A 66 -3,-1.1 2,-0.3 25,-0.2 27,-0.2 -0.991 55.4-172.5-155.7 157.0 -16.2 19.8 5.0 5 5 A A E -a 31 0A 18 25,-2.5 27,-2.3 -2,-0.3 2,-0.4 -0.970 15.2-139.7-148.3 159.4 -14.8 16.5 5.9 6 6 A T E -a 32 0A 67 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.965 16.6-171.3-124.3 137.2 -13.5 14.7 9.0 7 7 A I E -a 33 0A 0 25,-2.3 27,-2.7 -2,-0.4 2,-0.4 -0.983 11.5-144.0-133.9 141.4 -10.5 12.4 8.9 8 8 A E E -a 34 0A 67 -2,-0.4 8,-2.1 25,-0.2 2,-0.3 -0.840 9.9-169.6-111.4 140.0 -9.3 10.2 11.8 9 9 A S E -aB 35 15A 0 25,-2.3 27,-2.9 -2,-0.4 28,-0.5 -0.939 14.9-175.1-121.0 145.6 -5.7 9.4 12.6 10 10 A N > - 0 0 46 4,-1.1 3,-1.1 -2,-0.3 4,-0.2 -0.622 44.6 -80.9-130.8-168.9 -5.0 6.7 15.2 11 11 A D T 3 S+ 0 0 31 1,-0.2 34,-0.0 -2,-0.2 24,-0.0 0.419 118.2 69.1 -78.4 7.2 -2.0 5.2 17.0 12 12 A A T 3 S- 0 0 44 2,-0.2 -1,-0.2 32,-0.0 3,-0.1 0.252 112.5-110.9-107.1 10.6 -1.1 3.0 14.0 13 13 A M S < S+ 0 0 9 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.879 76.2 128.7 59.9 46.8 -0.0 5.9 11.8 14 14 A Q - 0 0 103 -4,-0.2 -4,-1.1 107,-0.1 2,-0.4 -0.897 53.2-143.1-126.7 149.0 -3.0 5.6 9.5 15 15 A Y B -B 9 0A 5 -2,-0.3 -6,-0.2 107,-0.2 107,-0.1 -0.906 17.4-138.7-103.5 144.7 -5.7 7.9 8.2 16 16 A N S S+ 0 0 82 -8,-2.1 2,-0.5 -2,-0.4 -7,-0.1 0.530 88.2 62.4 -75.4 -8.0 -9.1 6.4 7.9 17 17 A L - 0 0 52 -9,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.987 52.3-180.0-123.0 125.9 -9.7 8.2 4.5 18 18 A K S S+ 0 0 135 -2,-0.5 106,-2.4 1,-0.2 2,-0.3 0.583 76.5 30.9 -95.3 -12.9 -7.5 7.5 1.5 19 19 A E E -d 124 0B 115 104,-0.2 2,-0.4 2,-0.0 106,-0.2 -0.997 61.3-169.5-143.5 142.1 -9.4 9.9 -0.8 20 20 A M E -d 125 0B 7 104,-2.1 106,-1.8 -2,-0.3 2,-0.5 -0.979 9.9-154.5-130.0 140.9 -11.3 13.2 -0.2 21 21 A V E -d 126 0B 71 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.984 3.8-153.8-121.0 124.0 -13.4 14.9 -2.8 22 22 A V E -d 127 0B 0 104,-2.4 106,-2.3 -2,-0.5 2,-0.1 -0.881 26.3-125.1 -92.8 119.5 -14.0 18.7 -2.6 23 23 A D E > -d 128 0B 67 -2,-0.6 3,-2.1 -21,-0.4 106,-0.2 -0.440 13.5-126.0 -69.1 141.3 -17.3 19.5 -4.3 24 24 A K T 3 S+ 0 0 95 104,-1.9 105,-0.1 1,-0.3 -1,-0.1 0.604 106.0 65.1 -65.8 -11.5 -17.0 22.1 -7.1 25 25 A S T 3 S+ 0 0 100 2,-0.0 2,-0.4 104,-0.0 -1,-0.3 0.560 83.3 105.0 -83.6 -5.0 -19.7 24.3 -5.6 26 26 A a < + 0 0 10 -3,-2.1 3,-0.1 1,-0.2 -4,-0.0 -0.624 41.2 176.2 -81.7 128.5 -17.4 24.9 -2.6 27 27 A K S S+ 0 0 123 -2,-0.4 72,-2.5 1,-0.2 73,-0.5 0.751 82.0 26.2 -90.9 -34.4 -15.5 28.2 -2.3 28 28 A Q E S- C 0 98A 130 70,-0.2 2,-0.4 71,-0.1 -1,-0.2 -0.910 71.0-161.3-120.7 151.0 -14.0 27.1 1.2 29 29 A F E - C 0 97A 4 68,-2.0 68,-2.6 -2,-0.3 2,-0.4 -0.989 5.4-155.9-130.3 142.3 -13.4 23.5 2.4 30 30 A T E -aC 4 96A 20 -27,-1.6 -25,-2.5 -2,-0.4 2,-0.5 -0.976 4.2-166.1-120.7 129.6 -12.9 22.5 6.0 31 31 A V E -aC 5 95A 0 64,-2.5 64,-1.9 -2,-0.4 2,-0.6 -0.920 5.1-160.3-112.4 130.7 -11.0 19.4 7.3 32 32 A H E -aC 6 94A 43 -27,-2.3 -25,-2.3 -2,-0.5 2,-0.5 -0.980 10.5-157.3-109.6 117.1 -11.4 18.4 10.9 33 33 A L E -aC 7 93A 0 60,-3.2 60,-2.3 -2,-0.6 2,-0.4 -0.870 8.2-168.9 -93.1 129.9 -8.6 16.1 11.9 34 34 A K E -aC 8 92A 84 -27,-2.7 -25,-2.3 -2,-0.5 2,-0.8 -0.953 15.2-152.9-117.5 132.9 -9.3 13.9 14.9 35 35 A H E +a 9 0A 3 56,-2.8 55,-1.5 -2,-0.4 56,-0.3 -0.911 17.6 177.7-101.7 106.6 -6.5 11.9 16.7 36 36 A V + 0 0 73 -27,-2.9 -26,-0.2 -2,-0.8 -1,-0.1 0.296 49.5 91.9 -94.2 6.1 -8.5 8.9 18.1 37 37 A G S S- 0 0 12 -28,-0.5 53,-0.9 -27,-0.1 54,-0.1 -0.338 75.2-129.3 -84.8-175.9 -5.5 7.2 19.6 38 38 A K + 0 0 187 51,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.339 65.2 115.3-114.9 0.9 -4.2 7.5 23.1 39 39 A M - 0 0 50 5,-0.1 50,-2.7 1,-0.1 -2,-0.1 -0.501 69.0-103.2 -79.2 151.9 -0.5 8.2 22.4 40 40 A A >> - 0 0 61 48,-0.2 4,-3.2 -2,-0.2 3,-0.5 -0.224 25.3-117.0 -69.2 155.5 1.3 11.5 23.3 41 41 A K H 3> S+ 0 0 62 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.807 116.2 54.4 -68.9 -24.4 2.1 14.1 20.7 42 42 A V H 34 S+ 0 0 79 2,-0.2 -1,-0.3 1,-0.1 207,-0.1 0.860 118.6 36.6 -74.3 -26.8 5.8 13.7 21.3 43 43 A A H <4 S- 0 0 15 -3,-0.5 206,-0.3 1,-0.1 -2,-0.2 0.913 144.0 -4.2 -88.3 -46.2 5.4 9.9 20.7 44 44 A M H < S+ 0 0 0 -4,-3.2 -2,-0.2 205,-0.1 -3,-0.2 -0.373 79.7 160.6-150.6 50.3 2.8 9.7 17.9 45 45 A G < - 0 0 0 -4,-1.2 2,-0.3 43,-0.1 43,-0.2 -0.410 19.4-163.4 -69.7 156.6 1.5 13.2 17.1 46 46 A H B +H 87 0C 0 41,-1.8 41,-2.3 -2,-0.1 2,-0.2 -0.983 15.4 175.9-144.2 153.4 -0.2 13.7 13.7 47 47 A N - 0 0 0 -2,-0.3 2,-0.4 39,-0.2 39,-0.1 -0.732 28.3-121.2-137.4-173.8 -1.2 16.6 11.5 48 48 A W - 0 0 0 -2,-0.2 36,-2.2 37,-0.2 2,-0.4 -0.981 29.0-178.1-135.1 127.0 -2.8 16.9 8.0 49 49 A V E -EF 83 111B 0 62,-2.1 62,-1.9 -2,-0.4 2,-0.5 -0.979 11.5-154.0-128.5 139.4 -0.8 18.8 5.3 50 50 A L E +EF 82 110B 0 32,-2.3 31,-2.7 -2,-0.4 32,-1.0 -0.978 26.2 149.3-123.4 126.8 -2.0 19.4 1.7 51 51 A T E - F 0 109B 0 58,-2.3 58,-2.5 -2,-0.5 2,-0.2 -0.895 56.7 -84.5-139.3 166.3 0.4 20.0 -1.2 52 52 A K E > - F 0 108B 86 27,-0.5 3,-1.0 -2,-0.3 4,-0.4 -0.554 53.2-112.5 -66.4 147.0 0.5 19.3 -5.0 53 53 A E G > S+ 0 0 81 54,-1.1 3,-1.1 1,-0.2 4,-0.3 0.833 115.2 65.1 -56.7 -28.7 1.7 15.7 -5.2 54 54 A A G 3 S+ 0 0 78 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.892 102.9 45.0 -56.9 -45.1 5.0 16.9 -6.7 55 55 A D G <> S+ 0 0 46 -3,-1.0 4,-2.6 1,-0.2 5,-0.3 0.358 80.8 105.3 -88.8 6.6 6.0 18.8 -3.6 56 56 A K H <> S+ 0 0 30 -3,-1.1 4,-2.4 -4,-0.4 -1,-0.2 0.877 83.6 40.7 -58.6 -46.4 5.2 16.1 -1.0 57 57 A Q H > S+ 0 0 95 -3,-0.4 4,-2.6 -4,-0.3 -1,-0.2 0.891 115.4 52.3 -72.4 -34.4 8.8 14.9 -0.2 58 58 A G H > S+ 0 0 26 -4,-0.3 4,-2.5 2,-0.2 5,-0.3 0.950 114.0 42.2 -64.0 -49.2 10.2 18.4 -0.2 59 59 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 15,-0.3 0.888 113.5 52.5 -65.9 -44.1 7.5 19.7 2.2 60 60 A A H X S+ 0 0 4 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.921 112.6 45.0 -60.7 -41.5 7.8 16.6 4.4 61 61 A T H X S+ 0 0 66 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.976 117.7 42.3 -67.1 -54.0 11.7 17.0 4.7 62 62 A D H < S+ 0 0 50 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.871 115.3 52.8 -58.3 -34.6 11.6 20.7 5.4 63 63 A G H >X S+ 0 0 0 -4,-2.3 3,-1.8 -5,-0.3 4,-0.6 0.937 105.9 50.6 -69.5 -44.3 8.7 20.1 7.7 64 64 A M H >< S+ 0 0 36 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.915 110.6 53.2 -59.1 -37.4 10.5 17.5 9.7 65 65 A N T 3< S+ 0 0 122 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.535 95.7 68.9 -75.4 -9.8 13.3 20.0 10.0 66 66 A A T <4 S- 0 0 31 -3,-1.8 4,-0.2 -4,-0.3 -1,-0.2 0.619 97.1-132.7 -86.3 -11.5 11.0 22.8 11.3 67 67 A G X<> - 0 0 27 -3,-0.9 5,-2.5 -4,-0.6 3,-1.0 0.016 28.0 -70.4 86.5 167.0 10.4 21.2 14.7 68 68 A L G > 5S+ 0 0 60 1,-0.2 3,-2.6 3,-0.2 18,-0.2 0.892 124.4 65.8 -67.8 -38.2 7.3 20.6 16.8 69 69 A A G 3 5S+ 0 0 95 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.715 106.4 44.0 -60.6 -16.2 6.8 24.4 17.6 70 70 A Q G X 5S- 0 0 91 -3,-1.0 3,-1.6 -4,-0.2 -1,-0.3 0.043 119.6-111.7-108.8 18.4 6.1 24.9 13.9 71 71 A D T < 5 - 0 0 38 -3,-2.6 -3,-0.2 1,-0.3 42,-0.2 0.765 64.8 -70.4 50.8 34.0 3.9 21.9 13.7 72 72 A Y T 3 - 0 0 83 -2,-0.4 3,-1.8 -15,-0.3 6,-0.1 -0.425 46.3-103.2 -60.9 127.4 8.3 25.1 7.5 75 75 A A T 3 S+ 0 0 66 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 -0.240 101.4 4.4 -55.8 134.6 6.9 28.5 8.4 76 76 A G T 3 S+ 0 0 79 1,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.758 83.1 175.1 61.2 27.9 5.5 30.3 5.4 77 77 A D X - 0 0 13 -3,-1.8 3,-1.7 1,-0.2 -1,-0.2 -0.529 21.8-155.4 -70.8 116.5 6.2 27.3 3.1 78 78 A T T 3 S+ 0 0 142 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.740 88.4 63.4 -65.1 -25.7 4.6 28.4 -0.2 79 79 A R T 3 S+ 0 0 65 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.5 0.557 83.2 88.9 -75.1 -12.1 4.2 24.8 -1.3 80 80 A V < - 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0 0 90 -3,-1.5 -56,-2.8 -56,-0.3 2,-0.3 -0.597 48.6-163.3-110.1 171.7 -7.4 15.8 20.5 92 92 A S E -C 34 0A 76 -58,-0.2 2,-0.3 -2,-0.2 -58,-0.2 -0.980 3.3-171.8-145.1 159.0 -8.7 17.4 17.3 93 93 A D E -C 33 0A 35 -60,-2.3 -60,-3.2 -2,-0.3 2,-0.3 -0.987 8.5-153.5-148.3 152.3 -7.9 20.4 15.1 94 94 A S E -C 32 0A 55 -2,-0.3 2,-0.3 -62,-0.3 -62,-0.2 -0.922 6.9-172.1-125.3 153.3 -9.5 22.0 12.0 95 95 A V E -C 31 0A 25 -64,-1.9 -64,-2.5 -2,-0.3 2,-0.4 -0.990 6.9-160.2-141.7 140.1 -8.4 24.1 9.1 96 96 A T E -C 30 0A 69 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.949 18.0-179.1-113.8 139.3 -10.5 25.9 6.4 97 97 A F E -C 29 0A 12 -68,-2.6 -68,-2.0 -2,-0.4 2,-0.6 -0.934 33.2 -97.1-140.9 162.8 -8.9 26.8 3.1 98 98 A D E > -C 28 0A 69 -2,-0.3 3,-1.7 -70,-0.2 -70,-0.2 -0.688 22.5-150.1 -79.4 121.0 -9.8 28.5 -0.2 99 99 A V G > S+ 0 0 9 -72,-2.5 3,-2.3 -2,-0.6 -1,-0.1 0.761 89.5 75.4 -67.1 -19.4 -10.7 26.1 -3.0 100 100 A S G 3 S+ 0 0 79 -73,-0.5 -1,-0.3 1,-0.3 -72,-0.1 0.695 82.2 70.6 -68.5 -8.7 -9.4 28.5 -5.7 101 101 A K G < S+ 0 0 126 -3,-1.7 -1,-0.3 -20,-0.0 2,-0.3 0.681 94.4 69.5 -73.9 -15.3 -5.9 27.5 -4.6 102 102 A L S < S- 0 0 9 -3,-2.3 5,-0.0 -4,-0.2 24,-0.0 -0.727 75.1-142.6-101.2 153.9 -6.8 24.1 -6.2 103 103 A T - 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