==== 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 1AZC . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER XYLOSOXIDANS; . AUTHOR E.N.BAKER,W.E.B.SHEPARD,R.L.KINGSTON . 258 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11694.0 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 0 107 0, 0.0 22,-0.6 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0-100.5 -21.4 18.4 -1.4 2 2 A Q - 0 0 131 1,-0.2 2,-1.1 20,-0.1 21,-0.3 0.260 360.0-109.4 -40.4 147.2 -20.6 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 -0.167 83.3 82.9 -78.1 38.6 -17.2 22.1 1.9 4 4 A E E -a 30 0A 90 -2,-1.1 2,-0.3 25,-0.2 27,-0.2 -0.981 45.4-176.5-147.7 158.5 -16.0 20.1 4.8 5 5 A A E -a 31 0A 20 25,-2.3 27,-3.2 -2,-0.3 2,-0.4 -0.990 15.2-144.3-154.7 146.9 -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 -0.929 17.6-175.0-112.7 129.6 -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 -0.986 12.0-144.2-128.0 142.5 -10.4 12.8 9.0 8 8 A E E -a 34 0A 65 -2,-0.4 8,-1.5 25,-0.2 2,-0.3 -0.821 10.4-171.5-109.4 142.7 -9.1 10.6 11.9 9 9 A S E -aB 35 15A 1 25,-2.5 27,-2.9 -2,-0.4 28,-0.4 -0.920 15.5-173.8-122.8 147.5 -5.5 9.8 12.9 10 10 A N > - 0 0 44 4,-1.3 3,-1.0 -2,-0.3 4,-0.2 -0.707 42.6 -88.1-136.9-171.0 -4.7 7.2 15.6 11 11 A D T 3 S+ 0 0 30 1,-0.2 34,-0.0 -2,-0.2 24,-0.0 0.496 116.9 67.0 -79.1 -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 0.219 115.5-111.1 -97.1 4.3 -1.4 3.0 14.9 13 13 A M S < S+ 0 0 0 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.937 75.4 122.3 65.3 48.7 -0.1 5.7 12.6 14 14 A Q - 0 0 87 -4,-0.2 -4,-1.3 107,-0.1 2,-0.3 -0.974 54.5-139.7-137.6 157.0 -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 -0.711 19.9-136.5-102.5 159.8 -5.5 8.1 8.7 16 16 A N S S+ 0 0 81 -8,-1.5 2,-0.4 -2,-0.3 -7,-0.1 0.552 86.0 61.7 -95.6 -7.3 -9.0 6.6 8.2 17 17 A L - 0 0 55 -9,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.987 51.1-176.7-119.2 134.4 -9.4 8.2 4.8 18 18 A K S S+ 0 0 134 -2,-0.4 106,-2.7 1,-0.2 2,-0.3 0.580 77.6 27.3-101.2 -13.8 -7.3 7.5 1.7 19 19 A E E -d 124 0B 118 104,-0.2 2,-0.4 2,-0.0 -1,-0.2 -1.000 59.8-168.0-148.3 145.8 -9.0 10.0 -0.5 20 20 A M E -d 125 0B 7 104,-2.3 106,-1.9 -2,-0.3 2,-0.5 -0.983 10.8-152.8-130.2 140.7 -11.0 13.2 -0.1 21 21 A V E -d 126 0B 72 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.976 3.4-153.1-117.6 129.5 -13.1 15.0 -2.7 22 22 A V E -d 127 0B 0 104,-3.0 106,-2.2 -2,-0.5 2,-0.1 -0.925 26.6-123.5 -98.7 124.4 -13.7 18.8 -2.7 23 23 A D E > -d 128 0B 43 -22,-0.6 3,-2.3 -2,-0.6 106,-0.2 -0.436 12.7-127.2 -69.9 140.9 -17.0 19.6 -4.5 24 24 A K T 3 S+ 0 0 101 104,-1.6 -1,-0.1 1,-0.3 105,-0.1 0.601 106.0 66.8 -61.4 -14.1 -16.7 22.0 -7.4 25 25 A S T 3 S+ 0 0 92 -24,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.622 83.5 100.5 -81.6 -11.0 -19.4 24.2 -5.9 26 26 A a < + 0 0 9 -3,-2.3 3,-0.1 1,-0.2 -4,-0.0 -0.596 40.5 174.7 -82.0 134.7 -17.0 25.1 -3.0 27 27 A K S S+ 0 0 128 -2,-0.4 72,-2.5 1,-0.2 73,-0.6 0.786 82.6 33.0 -95.8 -32.9 -15.1 28.3 -2.8 28 28 A Q E S- C 0 98A 136 70,-0.3 2,-0.4 71,-0.1 -1,-0.2 -0.903 71.1-164.4-117.6 141.6 -13.7 27.4 0.8 29 29 A F E - C 0 97A 3 68,-2.4 68,-2.7 -2,-0.3 2,-0.5 -0.999 3.9-158.8-132.3 135.4 -13.0 23.8 2.0 30 30 A T E -aC 4 96A 19 -27,-2.4 -25,-2.3 -2,-0.4 2,-0.5 -0.976 1.8-162.2-118.0 129.6 -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 -0.941 4.7-158.8-109.5 128.9 -10.7 19.8 7.0 32 32 A H E -aC 6 94A 41 -27,-3.2 -25,-3.1 -2,-0.5 2,-0.5 -0.935 10.5-162.7-105.1 113.6 -11.3 18.7 10.6 33 33 A L E -aC 7 93A 0 60,-3.5 60,-2.5 -2,-0.7 2,-0.4 -0.861 5.7-170.2 -98.8 131.4 -8.5 16.5 11.8 34 34 A K E -aC 8 92A 72 -27,-2.5 -25,-2.5 -2,-0.5 2,-0.8 -0.958 17.6-150.9-119.9 139.2 -9.0 14.4 14.9 35 35 A H E +a 9 0A 3 56,-3.0 55,-2.2 -2,-0.4 -25,-0.2 -0.916 17.8 178.9-105.2 103.5 -6.4 12.4 16.9 36 36 A V + 0 0 78 -27,-2.9 -26,-0.2 -2,-0.8 -1,-0.1 0.354 52.1 86.7 -91.0 9.3 -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 -0.171 76.6-127.7 -93.3-166.0 -5.5 7.9 20.1 38 38 A K + 0 0 184 51,-0.2 2,-0.2 52,-0.1 50,-0.0 0.265 64.3 117.3-127.9 14.3 -4.1 8.5 23.5 39 39 A M - 0 0 60 5,-0.1 50,-2.9 1,-0.1 -2,-0.1 -0.583 68.6-103.6 -88.2 150.6 -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 -0.287 27.0-115.6 -68.1 153.0 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 0.817 114.0 58.6 -61.6 -26.8 2.1 14.8 20.7 42 42 A V H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.2 26,-0.0 0.765 117.4 32.7 -75.4 -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 0.801 143.1 2.4-103.5 -33.5 5.6 10.6 20.7 44 44 A M H < S+ 0 0 0 -4,-2.8 -2,-0.2 205,-0.1 -3,-0.2 -0.256 79.2 159.1-148.7 49.6 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 -0.405 21.2-158.6 -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 -0.974 16.2 171.6-138.9 149.1 -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 -0.740 28.7-124.0-137.6-174.4 -1.0 16.9 11.4 48 48 A W - 0 0 0 -2,-0.2 36,-1.9 37,-0.2 2,-0.4 -0.967 27.4-175.4-141.7 120.6 -2.5 17.1 7.9 49 49 A V E -EF 83 111B 0 62,-2.2 62,-2.0 -2,-0.4 2,-0.5 -0.978 10.9-152.8-125.9 136.8 -0.5 18.8 5.1 50 50 A L E +EF 82 110B 0 32,-2.4 31,-3.0 -2,-0.4 32,-0.9 -0.967 28.4 144.0-118.5 122.6 -1.6 19.5 1.5 51 51 A T E - F 0 109B 0 58,-2.4 58,-3.3 -2,-0.5 2,-0.2 -0.887 56.7 -80.8-143.4 169.2 0.8 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 -0.533 53.0-109.4 -71.7 152.1 1.0 18.8 -5.0 53 53 A E G >4 S+ 0 0 83 54,-2.0 3,-0.8 1,-0.3 4,-0.3 0.761 118.5 58.5 -51.3 -35.1 1.8 15.2 -5.2 54 54 A A G 34 S+ 0 0 84 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.867 101.0 54.7 -60.8 -47.9 5.2 16.0 -6.5 55 55 A D G <> S+ 0 0 45 -3,-0.9 4,-2.5 1,-0.2 5,-0.4 0.419 77.0 103.6 -73.3 -3.2 6.1 18.1 -3.4 56 56 A K H S+ 0 0 102 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.868 116.9 46.5 -57.3 -44.7 9.0 14.3 -0.1 58 58 A G H > S+ 0 0 27 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.872 114.3 45.9 -66.0 -47.1 10.5 17.8 0.0 59 59 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 15,-0.4 0.879 113.3 51.5 -66.7 -39.9 7.8 19.3 2.2 60 60 A A H X S+ 0 0 4 -4,-2.5 4,-2.5 -5,-0.4 -2,-0.2 0.920 112.4 47.0 -59.0 -46.5 8.0 16.3 4.5 61 61 A T H X S+ 0 0 63 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.955 115.2 41.6 -62.1 -57.5 11.8 16.7 4.7 62 62 A D H < S+ 0 0 44 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.810 113.5 56.5 -60.7 -33.8 12.0 20.4 5.4 63 63 A G H >X S+ 0 0 0 -4,-2.1 3,-1.9 2,-0.2 4,-0.7 0.939 103.9 51.3 -63.6 -50.5 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 0.882 110.6 51.1 -52.7 -41.2 10.7 17.4 9.9 65 65 A N T 3< S+ 0 0 126 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.567 96.9 70.2 -74.0 -11.2 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 0.718 97.9-135.5 -80.9 -22.0 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 0.037 26.7 -71.8 89.4 160.6 10.6 21.2 14.6 68 68 A L G > 5S+ 0 0 54 1,-0.3 3,-2.1 3,-0.2 18,-0.3 0.813 124.9 63.6 -62.1 -34.7 7.6 20.7 16.7 69 69 A A G 3 5S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.712 105.9 47.4 -66.2 -18.7 7.1 24.5 17.5 70 70 A Q G X 5S- 0 0 91 -3,-1.1 3,-1.2 -4,-0.2 -1,-0.3 0.121 119.7-111.3-101.9 13.9 6.6 25.0 13.8 71 71 A D T < 5 - 0 0 31 -3,-2.1 -3,-0.2 1,-0.3 42,-0.2 0.759 65.8 -71.4 58.6 28.6 4.1 22.0 13.6 72 72 A Y T 3 - 0 0 89 -2,-0.4 3,-2.1 -15,-0.4 -11,-0.1 -0.332 47.2-104.6 -56.0 124.3 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 -0.275 100.7 6.1 -58.1 138.0 7.3 28.3 7.9 76 76 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.678 83.3 174.8 64.9 20.4 6.0 30.0 4.9 77 77 A D X - 0 0 13 -3,-2.1 3,-0.9 1,-0.2 -1,-0.2 -0.413 19.2-158.5 -58.5 123.6 6.7 26.9 2.8 78 78 A T T 3 S+ 0 0 144 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.709 86.6 65.3 -81.7 -17.5 5.2 27.9 -0.5 79 79 A R T 3 S+ 0 0 63 -24,-0.1 2,-0.7 -28,-0.0 -27,-0.4 0.480 85.4 92.8 -77.5 -3.5 4.7 24.3 -1.6 80 80 A V < - 0 0 21 -3,-0.9 -29,-0.2 1,-0.2 3,-0.1 -0.853 51.0-176.2-100.5 116.8 2.2 23.9 1.2 81 81 A I S S- 0 0 27 -31,-3.0 2,-0.3 -2,-0.7 17,-0.2 0.909 70.3 -23.6 -72.1 -48.0 -1.4 24.6 0.3 82 82 A A E +E 50 0B 8 -32,-0.9 -32,-2.4 15,-0.1 2,-0.3 -0.975 62.3 179.2-159.2 158.7 -2.8 24.1 3.8 83 83 A H E -E 49 0B 68 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.1 -0.989 18.5-134.4-161.1 155.7 -1.9 22.4 7.0 84 84 A T - 0 0 2 -36,-1.9 2,-0.1 -2,-0.3 11,-0.1 -0.413 37.6 -92.9 -97.5-179.7 -3.1 21.9 10.6 85 85 A K - 0 0 121 -2,-0.1 2,-0.5 9,-0.1 -37,-0.2 -0.453 49.3 -92.5 -83.9 171.8 -1.1 22.2 13.8 86 86 A V - 0 0 5 -18,-0.3 2,-0.3 -2,-0.1 -39,-0.2 -0.762 52.9-171.2 -85.7 128.4 0.5 19.1 15.3 87 87 A I B -H 46 0C 6 -41,-3.0 -41,-2.1 -2,-0.5 2,-0.2 -0.867 12.9-140.4-119.4 160.6 -2.0 17.6 17.7 88 88 A G > - 0 0 3 -2,-0.3 3,-1.8 -43,-0.2 -53,-0.3 -0.487 49.2 -53.4-108.3 177.1 -1.9 14.7 20.3 89 89 A G T 3 S+ 0 0 24 -50,-2.9 -51,-0.2 1,-0.2 -1,-0.2 -0.207 124.7 23.2 -52.4 137.8 -4.4 12.0 21.4 90 90 A G T 3 S+ 0 0 72 -55,-2.2 -1,-0.2 -53,-0.4 2,-0.2 0.269 105.5 100.3 87.0 -7.6 -7.8 13.4 22.3 91 91 A E < - 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