==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 28-JAN-98 1A4B . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER DENITRIFICANS; . AUTHOR A.MESSERSCHMIDT,L.PRADE . 258 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 65.1 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 . 49 19.0 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 . 1 0.4 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 . 26 10.1 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 1 0 1 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 . 3 2 0 4 0 0 1 1 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 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 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 0 112 0, 0.0 3,-0.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -83.0 -21.4 17.9 5.4 2 2 A Q T 3 + 0 0 146 1,-0.3 21,-0.3 27,-0.1 24,-0.1 -0.067 360.0 2.3 28.0 -82.3 -21.4 20.0 2.1 3 3 A a T 3 S+ 0 0 13 -2,-0.2 27,-2.1 19,-0.1 2,-0.3 -0.421 116.1 92.4-128.4 46.4 -17.8 21.1 1.9 4 4 A E E < -a 30 0A 86 -3,-0.9 2,-0.3 25,-0.2 27,-0.2 -0.974 45.8-175.0-140.9 149.2 -16.4 19.4 5.0 5 5 A A E -a 31 0A 22 25,-2.0 27,-2.8 -2,-0.3 2,-0.4 -0.983 14.2-147.9-142.9 142.2 -14.7 16.1 5.6 6 6 A T E -a 32 0A 69 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.917 19.1-175.7-107.0 140.4 -13.6 14.4 8.8 7 7 A I E -a 33 0A 0 25,-2.6 27,-2.3 -2,-0.4 2,-0.3 -0.985 10.1-146.0-139.5 143.6 -10.5 12.2 8.7 8 8 A E E -a 34 0A 64 -2,-0.4 8,-2.2 25,-0.2 9,-0.3 -0.870 12.6-173.0-120.8 148.2 -9.0 10.1 11.4 9 9 A S E -aB 35 15A 1 25,-2.1 27,-2.7 -2,-0.3 28,-0.5 -0.903 12.0-176.4-126.7 155.5 -5.5 9.0 12.4 10 10 A N - 0 0 70 4,-0.6 27,-0.2 2,-0.4 4,-0.1 -0.425 52.6 -60.2-137.5-156.8 -4.8 6.5 15.2 11 11 A D S S+ 0 0 28 -2,-0.1 2,-0.2 25,-0.1 34,-0.1 0.051 115.7 65.4 -88.3 33.6 -1.6 5.1 16.8 12 12 A A S S- 0 0 37 2,-0.2 2,-0.7 32,-0.1 -2,-0.4 -0.770 101.4 -90.6-132.7-177.9 -0.3 3.7 13.6 13 13 A M S S+ 0 0 15 -2,-0.2 2,-0.3 -4,-0.1 109,-0.2 -0.274 86.4 79.8-102.7 56.5 0.8 5.6 10.4 14 14 A Q - 0 0 120 -2,-0.7 -4,-0.6 107,-0.2 2,-0.2 -0.998 64.7-125.2-154.6 153.2 -2.4 5.9 8.3 15 15 A Y B -B 9 0A 3 107,-0.4 -6,-0.2 -2,-0.3 107,-0.1 -0.616 25.7-126.5 -84.8 155.0 -5.5 7.9 7.8 16 16 A D S S+ 0 0 71 -8,-2.2 2,-0.5 -2,-0.2 -7,-0.1 0.668 100.0 59.9 -74.1 -16.0 -8.9 6.1 7.6 17 17 A L + 0 0 56 -9,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.961 55.0 177.8-114.3 124.5 -9.5 7.9 4.2 18 18 A K S S+ 0 0 126 -2,-0.5 106,-2.3 1,-0.2 2,-0.4 0.615 75.8 39.5 -94.9 -17.4 -7.1 7.3 1.4 19 19 A E E -d 124 0B 95 104,-0.2 2,-0.4 2,-0.0 106,-0.2 -0.977 64.5-172.1-132.9 141.2 -9.1 9.5 -1.1 20 20 A M E -d 125 0B 7 104,-2.1 106,-2.2 -2,-0.4 2,-0.4 -0.994 7.1-158.8-133.7 136.2 -10.8 12.8 -0.4 21 21 A V E -d 126 0B 84 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.965 4.9-154.8-120.6 130.9 -13.1 14.6 -2.9 22 22 A V E -d 127 0B 0 104,-2.4 106,-2.5 -2,-0.4 -19,-0.1 -0.951 25.9-125.8-102.9 119.4 -13.9 18.3 -2.8 23 23 A D E > -d 128 0B 61 -2,-0.6 3,-1.9 -21,-0.3 106,-0.3 -0.358 15.0-125.0 -62.7 141.9 -17.2 18.9 -4.5 24 24 A K T 3 S+ 0 0 89 104,-0.7 105,-0.1 1,-0.3 -1,-0.1 0.621 106.8 68.3 -70.7 -8.5 -17.0 21.6 -7.2 25 25 A S T 3 S+ 0 0 97 103,-0.2 2,-0.4 -23,-0.1 -1,-0.3 0.631 82.1 106.4 -76.8 -11.5 -19.8 23.7 -5.6 26 26 A a < + 0 0 10 -3,-1.9 3,-0.1 1,-0.2 -4,-0.0 -0.543 36.5 168.4 -78.6 123.9 -17.2 24.4 -2.8 27 27 A K S S+ 0 0 134 -2,-0.4 72,-2.3 1,-0.3 73,-0.5 0.736 82.0 27.1 -92.3 -37.1 -15.6 27.7 -2.5 28 28 A Q E S- C 0 98A 132 70,-0.2 2,-0.4 71,-0.1 -1,-0.3 -0.922 72.8-161.9-119.5 152.0 -14.2 26.8 0.9 29 29 A F E - C 0 97A 6 68,-2.2 68,-2.4 -2,-0.3 2,-0.4 -1.000 2.6-157.7-136.6 136.0 -13.4 23.3 2.2 30 30 A T E -aC 4 96A 16 -27,-2.1 -25,-2.0 -2,-0.4 2,-0.5 -0.951 1.2-163.3-117.4 130.3 -12.9 22.2 5.9 31 31 A V E -aC 5 95A 0 64,-2.7 64,-1.7 -2,-0.4 2,-0.7 -0.955 5.0-158.7-112.2 128.6 -11.0 19.2 7.1 32 32 A H E -aC 6 94A 50 -27,-2.8 -25,-2.6 -2,-0.5 2,-0.5 -0.936 12.0-162.0-105.9 105.7 -11.6 18.0 10.7 33 33 A L E -aC 7 93A 1 60,-2.8 60,-2.4 -2,-0.7 2,-0.4 -0.831 8.4-174.1 -90.6 130.0 -8.6 15.9 11.7 34 34 A K E -aC 8 92A 80 -27,-2.3 -25,-2.1 -2,-0.5 2,-0.7 -0.952 18.9-151.8-121.3 141.2 -9.2 13.6 14.7 35 35 A H E -a 9 0A 2 56,-2.7 55,-1.8 -2,-0.4 56,-0.4 -0.917 14.6-179.2-112.3 104.6 -6.5 11.5 16.4 36 36 A V + 0 0 73 -27,-2.7 -26,-0.2 -2,-0.7 -25,-0.1 0.314 52.8 94.1 -89.1 6.4 -8.5 8.6 17.8 37 37 A G S S- 0 0 12 -28,-0.5 53,-0.7 -27,-0.2 54,-0.1 -0.230 74.2-131.5 -79.0-171.9 -5.4 7.0 19.3 38 38 A K + 0 0 183 51,-0.2 2,-0.2 52,-0.1 -1,-0.1 0.314 63.1 116.2-124.1 4.4 -4.1 7.4 22.9 39 39 A M - 0 0 51 5,-0.2 50,-3.1 1,-0.1 -2,-0.1 -0.555 69.6-102.6 -85.7 150.1 -0.4 8.2 22.3 40 40 A A >> - 0 0 60 48,-0.2 4,-2.8 -2,-0.2 3,-0.9 -0.215 27.9-118.3 -64.1 148.6 1.3 11.5 23.2 41 41 A K H 3> S+ 0 0 64 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.869 115.6 54.1 -66.2 -29.8 2.0 13.9 20.4 42 42 A S H 34 S+ 0 0 73 2,-0.2 -1,-0.3 1,-0.2 207,-0.1 0.779 116.7 41.3 -73.2 -17.8 5.8 13.8 21.0 43 43 A A H <4 S- 0 0 17 -3,-0.9 206,-0.3 1,-0.1 -2,-0.2 0.856 143.9 -9.8 -88.4 -41.8 5.4 9.9 20.6 44 44 A M H < S+ 0 0 0 -4,-2.8 -2,-0.2 205,-0.1 -3,-0.2 -0.308 80.7 161.5-160.9 53.9 3.0 9.6 17.7 45 45 A G < - 0 0 0 -4,-1.5 2,-0.3 43,-0.1 43,-0.2 -0.382 17.2-165.4 -71.3 160.6 1.5 13.0 16.9 46 46 A H B +H 87 0C 0 41,-2.2 41,-2.6 -2,-0.1 2,-0.2 -0.985 13.5 176.7-145.9 153.1 -0.1 13.6 13.5 47 47 A N - 0 0 0 -2,-0.3 2,-0.4 39,-0.2 39,-0.1 -0.711 28.6-120.2-135.8-169.5 -1.2 16.6 11.3 48 48 A W - 0 0 0 -2,-0.2 36,-2.2 37,-0.1 2,-0.4 -0.965 28.0-177.5-140.9 121.3 -2.7 16.9 7.8 49 49 A V E -EF 83 111B 0 62,-2.4 62,-2.0 -2,-0.4 2,-0.5 -0.958 10.4-155.7-122.1 134.8 -0.8 18.9 5.2 50 50 A L E +EF 82 110B 0 32,-2.6 31,-2.4 -2,-0.4 32,-1.0 -0.972 27.2 145.1-117.1 124.5 -2.1 19.5 1.6 51 51 A T E - F 0 109B 0 58,-2.7 58,-2.6 -2,-0.5 29,-0.1 -0.927 55.8 -80.9-143.0 170.1 0.3 20.3 -1.3 52 52 A K E >> - F 0 108B 89 27,-0.5 3,-1.2 -2,-0.3 4,-0.8 -0.486 50.5-114.2 -63.1 151.8 0.7 19.6 -5.0 53 53 A E G >4 S+ 0 0 98 54,-0.7 3,-1.0 1,-0.3 4,-0.4 0.914 116.5 58.1 -64.7 -34.4 2.2 16.1 -5.4 54 54 A A G 34 S+ 0 0 94 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.741 108.8 46.1 -66.0 -19.4 5.4 17.6 -6.9 55 55 A D G <> S+ 0 0 33 -3,-1.2 4,-2.7 1,-0.1 5,-0.3 0.582 84.0 96.0-100.4 -5.9 5.9 19.7 -3.7 56 56 A K H S+ 0 0 120 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.908 114.4 50.5 -68.9 -40.8 8.8 15.9 -0.4 58 58 A G H > S+ 0 0 26 -4,-0.3 4,-2.3 1,-0.2 5,-0.2 0.931 114.5 44.8 -57.6 -49.2 10.1 19.5 -0.3 59 59 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 15,-0.4 0.887 113.3 50.3 -61.9 -44.7 7.3 20.5 2.2 60 60 A A H X S+ 0 0 3 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.904 111.6 47.0 -67.0 -40.8 7.9 17.3 4.3 61 61 A T H X S+ 0 0 66 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.957 119.0 39.9 -63.7 -47.8 11.7 17.8 4.5 62 62 A D H X S+ 0 0 49 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.784 114.5 55.7 -73.2 -22.5 11.4 21.5 5.4 63 63 A G H >X S+ 0 0 0 -4,-1.9 3,-1.0 -5,-0.2 4,-0.7 0.943 106.9 48.1 -69.1 -50.5 8.4 20.6 7.6 64 64 A M H >< S+ 0 0 46 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.939 112.2 50.7 -52.1 -49.2 10.5 18.1 9.5 65 65 A N H 3< S+ 0 0 121 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.673 97.3 70.1 -67.1 -17.2 13.2 20.8 9.9 66 66 A A H << S- 0 0 28 -3,-1.0 -1,-0.2 -4,-0.6 4,-0.2 0.752 98.0-134.3 -77.4 -19.1 10.6 23.3 11.2 67 67 A G X<> - 0 0 27 -3,-1.2 5,-2.3 -4,-0.7 3,-1.1 0.027 26.0 -74.1 85.8 160.4 10.1 21.6 14.6 68 68 A L G > 5S+ 0 0 57 1,-0.3 3,-2.2 3,-0.2 18,-0.3 0.823 125.1 65.1 -67.3 -32.0 6.9 20.7 16.6 69 69 A A G 3 5S+ 0 0 98 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.784 106.3 45.8 -63.7 -21.2 6.3 24.3 17.7 70 70 A Q G X 5S- 0 0 92 -3,-1.1 3,-1.3 -4,-0.2 -1,-0.3 0.195 120.0-111.8 -98.9 13.8 5.7 25.0 14.0 71 71 A D T < 5 - 0 0 31 -3,-2.2 -3,-0.2 1,-0.3 42,-0.2 0.768 64.6 -74.2 52.8 33.4 3.5 21.8 13.7 72 72 A Y T 3 - 0 0 83 -2,-0.4 3,-1.6 -15,-0.4 6,-0.1 -0.396 44.4-102.7 -56.7 129.5 7.8 25.6 7.6 75 75 A A T 3 S+ 0 0 69 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.292 100.7 4.1 -58.5 134.4 6.2 28.9 8.5 76 76 A G T 3 S+ 0 0 77 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.730 84.5 176.9 64.1 23.7 4.7 30.8 5.5 77 77 A D X - 0 0 13 -3,-1.6 3,-1.6 1,-0.2 -1,-0.2 -0.451 23.2-152.0 -68.0 119.3 5.6 27.9 3.2 78 78 A T T 3 S+ 0 0 142 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.729 91.5 57.7 -64.2 -27.8 4.2 28.9 -0.2 79 79 A R T 3 S+ 0 0 58 -24,-0.1 2,-0.8 -28,-0.1 -27,-0.5 0.578 83.7 97.2 -78.3 -12.5 3.7 25.2 -1.4 80 80 A V < - 0 0 19 -3,-1.6 -29,-0.2 1,-0.2 3,-0.1 -0.726 48.3-177.4 -88.2 113.0 1.4 24.5 1.6 81 81 A I S S- 0 0 20 -31,-2.4 2,-0.3 -2,-0.8 17,-0.2 0.818 71.6 -25.0 -75.7 -33.2 -2.2 24.8 0.5 82 82 A A E -E 50 0B 9 -32,-1.0 -32,-2.6 15,-0.1 -1,-0.3 -0.928 62.0-174.9-173.5 151.4 -3.4 24.1 4.0 83 83 A H E -E 49 0B 68 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.1 -0.979 15.4-139.6-154.3 148.6 -2.3 22.4 7.2 84 84 A T - 0 0 2 -36,-2.2 2,-0.1 -2,-0.3 11,-0.1 -0.371 37.1 -95.8 -89.9 178.5 -3.6 21.5 10.6 85 85 A K - 0 0 114 9,-0.1 2,-0.5 -2,-0.1 -37,-0.1 -0.467 47.5 -94.1 -81.1 167.5 -1.7 21.6 13.8 86 86 A V - 0 0 6 -18,-0.3 2,-0.3 -2,-0.1 -39,-0.2 -0.748 49.8-171.6 -85.4 129.2 -0.0 18.5 15.1 87 87 A I B -H 46 0C 9 -41,-2.6 -41,-2.2 -2,-0.5 2,-0.2 -0.840 11.7-146.8-120.0 158.5 -2.3 16.7 17.6 88 88 A G > - 0 0 1 -2,-0.3 3,-1.5 -43,-0.2 -53,-0.2 -0.462 51.1 -40.1-107.7-174.4 -1.8 13.8 19.9 89 89 A G T 3 S+ 0 0 22 -50,-3.1 -51,-0.2 1,-0.3 -1,-0.2 -0.208 124.5 14.2 -56.8 133.9 -4.2 11.1 21.1 90 90 A G T 3 S+ 0 0 70 -55,-1.8 -1,-0.3 -53,-0.7 2,-0.2 0.607 105.5 105.8 77.3 15.1 -7.7 12.1 21.9 91 91 A E < - 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