==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT(COPPER) 16-DEC-92 1AZB . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER XYLOSOXIDANS; . AUTHOR E.N.BAKER,W.E.B.SHEPARD . 258 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.3 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 . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 9.3 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 0 106 0, 0.0 22,-0.6 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0-102.5 -21.4 18.5 -1.3 2 2 A Q - 0 0 134 1,-0.2 2,-1.1 20,-0.1 21,-0.3 0.236 360.0-109.7 -37.5 147.0 -20.5 20.7 1.6 3 3 A a S S+ 0 0 35 19,-0.1 27,-2.4 22,-0.1 2,-0.3 -0.218 82.7 82.5 -84.0 41.7 -17.2 22.0 1.8 4 4 A E E -a 30 0A 90 -2,-1.1 2,-0.3 25,-0.2 27,-0.2 -0.987 45.0-175.6-146.0 159.5 -16.0 20.1 4.8 5 5 A A E -a 31 0A 21 25,-2.3 27,-3.3 -2,-0.3 2,-0.4 -0.994 14.9-144.3-155.4 146.6 -14.5 16.9 5.7 6 6 A T E -a 32 0A 66 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.923 17.8-175.1-111.9 128.6 -13.4 15.1 8.9 7 7 A I E -a 33 0A 0 25,-3.1 27,-2.5 -2,-0.4 2,-0.4 -0.984 12.0-144.3-127.1 141.6 -10.4 12.8 9.0 8 8 A E E -a 34 0A 67 -2,-0.4 8,-1.6 25,-0.2 2,-0.3 -0.828 10.7-172.2-107.7 142.0 -9.1 10.6 11.9 9 9 A S E -aB 35 15A 1 25,-2.4 27,-2.8 -2,-0.4 28,-0.4 -0.912 15.3-174.4-123.2 147.6 -5.6 9.8 12.9 10 10 A N > - 0 0 43 4,-1.3 3,-1.1 -2,-0.3 4,-0.2 -0.717 42.7 -87.4-137.2-170.4 -4.7 7.2 15.5 11 11 A D T 3 S+ 0 0 30 1,-0.2 34,-0.0 -2,-0.2 24,-0.0 0.508 116.6 66.4 -79.3 -3.4 -2.0 5.6 17.6 12 12 A A T 3 S- 0 0 36 2,-0.2 -1,-0.2 32,-0.0 3,-0.1 0.227 115.7-110.7 -97.1 3.9 -1.3 3.1 14.8 13 13 A M S < S+ 0 0 0 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.928 75.5 121.3 66.1 48.1 -0.1 5.7 12.6 14 14 A Q - 0 0 86 -4,-0.2 -4,-1.3 107,-0.1 2,-0.3 -0.975 54.1-138.9-137.0 158.1 -2.9 5.7 10.2 15 15 A Y B -B 9 0A 8 105,-0.4 -6,-0.2 -2,-0.3 107,-0.1 -0.707 19.9-136.3-102.8 160.3 -5.5 8.1 8.7 16 16 A N S S+ 0 0 79 -8,-1.6 2,-0.4 -2,-0.3 -7,-0.1 0.555 85.3 60.8 -95.6 -7.3 -8.9 6.7 8.2 17 17 A L - 0 0 55 -9,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.982 51.1-175.5-120.2 134.5 -9.4 8.2 4.8 18 18 A K S S+ 0 0 137 -2,-0.4 106,-2.7 1,-0.2 2,-0.3 0.612 77.1 28.1-100.0 -14.3 -7.3 7.5 1.7 19 19 A E E -d 124 0B 120 104,-0.2 2,-0.4 2,-0.0 -1,-0.2 -1.000 59.2-168.5-145.7 146.3 -9.1 10.0 -0.5 20 20 A M E -d 125 0B 8 104,-2.2 106,-1.9 -2,-0.3 2,-0.4 -0.980 10.4-153.4-132.0 140.7 -10.9 13.2 -0.1 21 21 A V E -d 126 0B 73 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.972 3.9-153.2-117.2 130.1 -13.1 15.0 -2.7 22 22 A V E -d 127 0B 0 104,-3.0 106,-2.3 -2,-0.4 2,-0.1 -0.910 26.7-123.3 -99.9 124.0 -13.7 18.7 -2.7 23 23 A D E > -d 128 0B 43 -22,-0.6 3,-2.3 -2,-0.5 106,-0.2 -0.444 12.8-127.2 -69.9 141.1 -17.0 19.6 -4.4 24 24 A K T 3 S+ 0 0 102 104,-1.6 -1,-0.1 1,-0.3 105,-0.1 0.603 106.0 66.7 -61.0 -14.8 -16.7 22.0 -7.4 25 25 A S T 3 S+ 0 0 90 -24,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.620 83.4 99.5 -80.3 -11.5 -19.4 24.2 -5.9 26 26 A a < + 0 0 8 -3,-2.3 3,-0.1 1,-0.2 -24,-0.0 -0.585 40.7 175.5 -82.0 135.6 -17.0 25.1 -3.0 27 27 A K S S+ 0 0 129 -2,-0.4 72,-2.5 1,-0.2 73,-0.6 0.805 82.5 32.9 -96.2 -32.2 -15.1 28.3 -2.8 28 28 A Q E S- C 0 98A 139 70,-0.3 2,-0.4 71,-0.1 -1,-0.2 -0.908 70.9-164.6-116.8 142.6 -13.7 27.4 0.8 29 29 A F E - C 0 97A 3 68,-2.3 68,-2.8 -2,-0.3 2,-0.5 -0.998 3.6-158.8-132.2 136.2 -13.0 23.8 2.0 30 30 A T E -aC 4 96A 20 -27,-2.4 -25,-2.3 -2,-0.4 2,-0.5 -0.972 1.5-162.0-118.2 130.2 -12.5 22.9 5.7 31 31 A V E -aC 5 95A 0 64,-2.8 64,-2.1 -2,-0.5 2,-0.7 -0.936 4.8-158.5-109.6 128.9 -10.7 19.8 7.0 32 32 A H E -aC 6 94A 42 -27,-3.3 -25,-3.1 -2,-0.5 2,-0.5 -0.930 10.4-162.6-104.3 114.4 -11.3 18.7 10.6 33 33 A L E -aC 7 93A 0 60,-3.3 60,-2.5 -2,-0.7 2,-0.4 -0.854 5.8-170.1 -99.3 131.4 -8.5 16.5 11.8 34 34 A K E -aC 8 92A 71 -27,-2.5 -25,-2.4 -2,-0.5 2,-0.8 -0.956 17.5-150.9-119.2 139.3 -9.0 14.4 14.9 35 35 A H E +a 9 0A 3 56,-2.9 55,-2.1 -2,-0.4 -25,-0.2 -0.914 17.7 178.9-104.9 102.9 -6.4 12.4 16.9 36 36 A V + 0 0 76 -27,-2.8 -26,-0.2 -2,-0.8 -1,-0.1 0.346 51.8 86.2 -90.3 8.4 -8.5 9.5 18.3 37 37 A G S S- 0 0 14 -28,-0.4 53,-0.4 7,-0.1 -2,-0.1 -0.194 76.5-126.7 -92.8-165.4 -5.6 7.9 20.1 38 38 A K + 0 0 184 51,-0.2 2,-0.2 52,-0.1 -1,-0.0 0.262 64.3 116.5-127.7 13.7 -4.1 8.5 23.5 39 39 A M - 0 0 59 5,-0.1 50,-2.8 1,-0.1 -2,-0.1 -0.573 68.4-102.8 -89.4 150.5 -0.5 9.1 22.8 40 40 A A >> - 0 0 62 -2,-0.2 4,-2.8 48,-0.2 3,-1.3 -0.291 27.3-115.6 -67.9 153.2 1.3 12.4 23.5 41 41 A K H 3> S+ 0 0 71 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.827 113.6 58.3 -59.8 -28.2 2.1 14.8 20.8 42 42 A V H 34 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.772 117.2 33.0 -75.1 -19.3 5.9 14.3 21.3 43 43 A A H <4 S+ 0 0 12 -3,-1.3 206,-0.3 1,-0.1 -2,-0.2 0.797 142.5 2.7-103.1 -34.6 5.6 10.7 20.7 44 44 A M H < S+ 0 0 0 -4,-2.8 -2,-0.2 205,-0.1 -3,-0.2 -0.244 79.0 159.2-148.3 48.6 2.8 10.3 18.2 45 45 A G < - 0 0 0 -4,-1.4 2,-0.3 43,-0.1 43,-0.2 -0.409 21.1-158.1 -75.5 159.5 1.6 13.7 17.2 46 46 A H B +H 87 0C 0 41,-2.1 41,-3.0 -37,-0.1 2,-0.2 -0.977 16.3 171.0-138.2 148.8 -0.2 14.1 13.8 47 47 A N - 0 0 0 -2,-0.3 2,-0.4 39,-0.2 39,-0.1 -0.741 28.7-124.1-136.7-173.9 -1.0 16.9 11.4 48 48 A W - 0 0 0 -2,-0.2 36,-2.0 37,-0.2 2,-0.4 -0.972 27.1-175.4-142.4 120.6 -2.5 17.1 7.9 49 49 A V E -EF 83 111B 0 62,-2.1 62,-2.0 -2,-0.4 2,-0.4 -0.980 11.1-152.3-126.0 137.1 -0.5 18.8 5.1 50 50 A L E +EF 82 110B 0 32,-2.3 31,-3.0 -2,-0.4 32,-0.9 -0.968 29.0 142.8-118.9 122.1 -1.6 19.5 1.5 51 51 A T E - F 0 109B 0 58,-2.3 58,-3.3 -2,-0.4 2,-0.2 -0.886 56.4 -81.1-142.7 168.6 0.9 19.7 -1.4 52 52 A K E >> - F 0 108B 91 27,-0.4 3,-0.9 -2,-0.3 4,-0.5 -0.522 52.1-108.7 -70.8 153.4 1.0 18.7 -5.0 53 53 A E G >4 S+ 0 0 81 54,-2.0 3,-0.8 1,-0.3 4,-0.3 0.759 118.5 57.8 -51.2 -37.1 1.8 15.2 -5.2 54 54 A A G 34 S+ 0 0 82 53,-0.3 3,-0.4 1,-0.2 4,-0.3 0.858 101.1 55.4 -58.4 -49.5 5.2 16.0 -6.5 55 55 A D G <> S+ 0 0 46 -3,-0.9 4,-2.5 1,-0.2 5,-0.4 0.441 76.5 103.8 -71.3 -5.7 6.1 18.1 -3.5 56 56 A K H S+ 0 0 102 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.868 116.4 45.7 -55.8 -46.6 9.0 14.4 -0.1 58 58 A G H > S+ 0 0 26 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.868 113.8 46.7 -66.4 -46.7 10.5 17.8 0.0 59 59 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 15,-0.4 0.892 112.8 52.0 -67.2 -38.8 7.9 19.3 2.2 60 60 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 -5,-0.4 -2,-0.2 0.924 112.1 47.1 -58.6 -46.4 8.0 16.3 4.4 61 61 A T H X S+ 0 0 62 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.958 114.5 42.1 -63.0 -56.6 11.8 16.7 4.7 62 62 A D H < S+ 0 0 44 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.817 113.0 56.8 -60.8 -34.0 12.0 20.3 5.4 63 63 A G H >X S+ 0 0 0 -4,-2.0 3,-1.9 -5,-0.2 4,-0.7 0.946 103.5 51.9 -63.6 -49.0 9.0 20.0 7.8 64 64 A M H >< S+ 0 0 44 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.889 110.0 51.3 -53.0 -40.2 10.7 17.5 9.9 65 65 A N T 3< S+ 0 0 126 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.576 96.8 70.3 -73.8 -11.5 13.6 19.9 10.0 66 66 A A T <4 S- 0 0 28 -3,-1.9 -1,-0.2 -4,-0.3 4,-0.2 0.720 97.7-134.7 -80.5 -22.3 11.3 22.7 11.1 67 67 A G X<> - 0 0 26 -3,-0.9 5,-2.3 -4,-0.7 3,-1.1 0.036 26.4 -72.1 90.6 159.6 10.6 21.3 14.6 68 68 A L G > 5S+ 0 0 55 1,-0.2 3,-2.2 3,-0.2 18,-0.3 0.816 124.3 63.2 -60.8 -35.8 7.6 20.7 16.7 69 69 A A G 3 5S+ 0 0 96 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.725 105.9 47.6 -65.7 -19.0 7.1 24.5 17.5 70 70 A Q G X 5S- 0 0 93 -3,-1.1 3,-1.3 -4,-0.2 -1,-0.3 0.127 119.6-111.1-101.8 14.5 6.5 25.0 13.8 71 71 A D T < 5 - 0 0 31 -3,-2.2 -3,-0.2 1,-0.3 42,-0.2 0.766 65.9 -71.4 58.8 27.8 4.1 22.0 13.6 72 72 A Y T 3 - 0 0 90 -2,-0.4 3,-2.1 -15,-0.4 -11,-0.1 -0.334 47.0-104.9 -55.5 122.6 8.8 24.8 7.3 75 75 A A T 3 S+ 0 0 70 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.292 99.9 6.0 -57.4 139.4 7.3 28.3 7.9 76 76 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.681 83.6 174.6 64.6 19.8 6.1 30.0 4.9 77 77 A D X - 0 0 13 -3,-2.1 3,-0.9 1,-0.2 -1,-0.2 -0.362 19.3-158.5 -59.6 122.3 6.7 26.9 2.8 78 78 A T T 3 S+ 0 0 138 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.742 86.2 65.4 -81.3 -16.8 5.2 27.9 -0.5 79 79 A R T 3 S+ 0 0 64 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.4 0.495 85.0 93.2 -76.2 -3.9 4.7 24.4 -1.6 80 80 A V < - 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