==== 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(CADMIUM BINDING) 11-NOV-93 1AIZ . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER DENITRIFICANS; . AUTHOR E.N.BAKER,B.F.ANDERSON,K.A.BLACKWELL . 258 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.8 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 . 53 20.5 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 . 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 . 14 5.4 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 . 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 1 1 3 1 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 0 129 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.6 -22.7 18.0 -1.0 2 2 A Q - 0 0 131 2,-0.2 2,-0.8 24,-0.0 21,-0.4 -0.963 360.0-104.1-155.5 164.9 -20.7 20.4 1.2 3 3 A a S S+ 0 0 41 -2,-0.3 27,-1.6 19,-0.1 2,-0.3 -0.448 83.4 67.3 -93.6 51.9 -17.3 21.9 1.7 4 4 A E E -a 30 0A 84 -2,-0.8 2,-0.3 25,-0.2 27,-0.2 -0.979 49.4-168.7-167.9 155.1 -15.8 20.2 4.6 5 5 A A E -a 31 0A 21 25,-2.3 27,-2.8 -2,-0.3 2,-0.4 -0.980 15.2-139.0-149.0 153.0 -14.5 16.9 5.7 6 6 A T E -a 32 0A 71 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.965 19.8-172.3-116.2 129.9 -13.4 15.2 8.9 7 7 A I E -a 33 0A 0 25,-3.3 27,-2.6 -2,-0.4 2,-0.4 -0.976 10.8-144.3-125.5 142.4 -10.3 12.9 9.0 8 8 A E E -a 34 0A 67 -2,-0.4 8,-1.6 25,-0.2 2,-0.3 -0.841 10.8-171.6-111.3 145.0 -9.1 10.7 11.8 9 9 A S E -aB 35 15A 0 25,-2.4 27,-2.9 -2,-0.4 28,-0.5 -0.931 14.6-175.1-124.8 145.4 -5.6 9.9 13.0 10 10 A N > - 0 0 46 4,-1.4 3,-1.1 -2,-0.3 4,-0.3 -0.672 43.1 -85.8-134.8-173.2 -4.8 7.2 15.6 11 11 A D T 3 S+ 0 0 31 1,-0.3 34,-0.0 -2,-0.2 24,-0.0 0.514 116.4 67.5 -77.4 -6.1 -2.0 5.7 17.7 12 12 A A T 3 S- 0 0 38 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.146 115.9-106.7-101.0 18.0 -1.2 3.2 14.8 13 13 A M S < S+ 0 0 1 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.954 78.0 123.1 61.5 49.2 0.1 6.0 12.5 14 14 A Q - 0 0 93 -4,-0.3 -4,-1.4 107,-0.1 2,-0.3 -0.992 54.4-142.4-142.0 153.7 -2.9 6.0 10.2 15 15 A Y B -B 9 0A 23 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.669 21.5-135.3 -98.6 158.1 -5.5 8.2 8.8 16 16 A N S S+ 0 0 66 -8,-1.6 2,-0.4 -2,-0.3 -7,-0.1 0.656 87.3 60.7 -93.3 -10.7 -9.0 6.8 8.3 17 17 A L - 0 0 54 -9,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.944 50.3-176.9-118.7 137.3 -9.4 8.3 4.8 18 18 A K S S+ 0 0 154 -2,-0.4 106,-2.7 1,-0.3 2,-0.4 0.583 77.3 29.3-105.4 -15.2 -7.2 7.7 1.7 19 19 A E E -d 124 0B 110 104,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.998 59.1-168.0-150.1 144.9 -9.0 10.2 -0.5 20 20 A M E -d 125 0B 6 104,-2.5 106,-2.1 -2,-0.4 2,-0.4 -0.987 9.7-154.8-127.8 138.9 -10.9 13.4 -0.1 21 21 A V E -d 126 0B 67 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.957 4.6-152.5-117.4 129.7 -13.0 15.1 -2.7 22 22 A V E -d 127 0B 0 104,-2.8 106,-2.3 -2,-0.4 2,-0.1 -0.933 25.5-122.8-104.2 123.4 -13.7 18.8 -2.7 23 23 A D E > -d 128 0B 39 -2,-0.6 3,-1.9 -21,-0.4 106,-0.2 -0.423 13.8-128.7 -64.1 137.3 -17.0 19.7 -4.4 24 24 A K T 3 S+ 0 0 103 104,-1.6 -1,-0.1 1,-0.3 105,-0.1 0.593 105.1 67.8 -62.4 -14.0 -16.7 22.1 -7.3 25 25 A S T 3 S+ 0 0 94 -23,-0.0 2,-0.4 2,-0.0 -1,-0.3 0.508 82.9 104.3 -81.2 -6.1 -19.4 24.4 -5.8 26 26 A a < + 0 0 10 -3,-1.9 3,-0.1 1,-0.2 -4,-0.0 -0.647 42.0 176.9 -84.8 130.8 -17.0 25.2 -3.0 27 27 A K S S+ 0 0 131 -2,-0.4 72,-2.7 1,-0.3 73,-0.6 0.800 82.8 24.2 -90.3 -38.0 -15.1 28.5 -2.7 28 28 A Q E S- C 0 98A 134 70,-0.2 2,-0.4 71,-0.2 -1,-0.3 -0.903 70.7-157.8-123.6 151.8 -13.6 27.4 0.7 29 29 A F E - C 0 97A 3 68,-2.5 68,-3.4 -2,-0.3 2,-0.4 -0.998 4.5-153.4-137.0 137.4 -13.0 24.0 2.1 30 30 A T E -aC 4 96A 22 -27,-1.6 -25,-2.3 -2,-0.4 2,-0.5 -0.961 2.7-162.5-115.7 126.7 -12.5 23.0 5.7 31 31 A V E -aC 5 95A 0 64,-2.9 64,-2.2 -2,-0.4 2,-0.6 -0.941 4.6-161.2-109.3 125.0 -10.6 20.0 7.0 32 32 A H E -aC 6 94A 49 -27,-2.8 -25,-3.3 -2,-0.5 2,-0.5 -0.943 8.8-163.7-105.5 112.6 -11.3 18.8 10.5 33 33 A L E -aC 7 93A 0 60,-3.3 60,-2.3 -2,-0.6 2,-0.4 -0.867 4.3-169.4-102.3 134.0 -8.5 16.6 11.9 34 34 A K E -aC 8 92A 78 -27,-2.6 -25,-2.4 -2,-0.5 2,-0.7 -0.947 17.7-148.8-121.4 140.6 -9.1 14.5 14.9 35 35 A H E +a 9 0A 3 56,-2.8 55,-2.6 -2,-0.4 -25,-0.2 -0.921 19.7 179.3-110.6 99.4 -6.4 12.6 16.9 36 36 A V + 0 0 78 -27,-2.9 -26,-0.2 -2,-0.7 -1,-0.1 0.503 53.3 79.5 -82.1 -6.1 -8.4 9.6 18.2 37 37 A G S S- 0 0 16 -28,-0.5 53,-0.4 7,-0.1 -2,-0.1 -0.112 78.4-126.0 -93.3-163.9 -5.6 7.9 20.1 38 38 A K + 0 0 187 51,-0.2 2,-0.2 52,-0.1 -1,-0.1 0.248 63.6 119.8-129.3 13.7 -4.2 8.7 23.5 39 39 A M - 0 0 62 5,-0.1 50,-3.2 1,-0.1 -2,-0.1 -0.553 69.1-102.4 -83.4 149.0 -0.5 9.1 22.8 40 40 A A >> - 0 0 64 48,-0.2 4,-3.0 -2,-0.2 3,-1.1 -0.261 26.8-117.8 -65.8 154.5 1.3 12.4 23.5 41 41 A K H 3> S+ 0 0 77 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.775 115.3 61.2 -68.3 -20.7 2.0 14.7 20.6 42 42 A V H 34 S+ 0 0 77 2,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.760 115.9 31.8 -72.2 -26.0 5.8 14.3 21.3 43 43 A A H <4 S+ 0 0 13 -3,-1.1 206,-0.3 205,-0.1 -2,-0.2 0.805 143.9 3.6 -98.8 -45.5 5.5 10.5 20.7 44 44 A M H < S+ 0 0 0 -4,-3.0 -2,-0.2 205,-0.1 -5,-0.1 -0.299 81.3 164.0-141.0 51.8 2.7 10.2 18.0 45 45 A G < - 0 0 0 -4,-1.1 2,-0.3 43,-0.1 43,-0.2 -0.443 17.7-160.5 -73.5 154.3 1.7 13.8 17.1 46 46 A H B +H 87 0C 0 41,-2.0 41,-2.8 67,-0.1 2,-0.2 -0.974 18.2 166.5-139.2 149.0 -0.2 14.3 13.8 47 47 A N - 0 0 0 -2,-0.3 2,-0.4 39,-0.2 39,-0.1 -0.763 30.2-124.1-140.1-176.7 -1.0 17.0 11.4 48 48 A W - 0 0 0 -2,-0.2 36,-1.9 37,-0.2 2,-0.4 -0.965 26.6-174.7-142.7 118.5 -2.5 17.2 7.9 49 49 A V E -EF 83 111B 0 62,-2.6 62,-2.1 -2,-0.4 2,-0.5 -0.976 10.4-152.2-123.9 136.6 -0.5 18.9 5.1 50 50 A L E +EF 82 110B 0 32,-3.1 31,-2.4 -2,-0.4 32,-1.0 -0.953 29.6 140.2-116.1 127.5 -1.6 19.6 1.6 51 51 A T E -EF 80 109B 0 58,-2.5 58,-2.8 -2,-0.5 29,-0.1 -0.932 58.8 -72.6-148.9 172.2 0.7 19.9 -1.4 52 52 A K E >> - F 0 108B 93 27,-0.5 3,-0.7 -2,-0.3 4,-0.6 -0.449 53.8-115.0 -64.9 147.5 1.2 19.0 -5.0 53 53 A E T 34 S+ 0 0 82 54,-1.2 3,-0.3 1,-0.3 4,-0.3 0.744 116.4 59.3 -55.7 -25.4 1.8 15.3 -5.0 54 54 A A T 34 S+ 0 0 86 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.894 100.9 50.1 -69.9 -48.9 5.3 16.2 -6.3 55 55 A D T <> S+ 0 0 51 -3,-0.7 4,-2.8 1,-0.2 5,-0.4 0.375 80.3 106.5 -72.2 -7.8 6.3 18.3 -3.4 56 56 A K H X S+ 0 0 43 -4,-0.6 4,-2.6 -3,-0.3 3,-0.2 0.906 83.4 36.2 -36.2 -74.9 5.3 15.7 -0.8 57 57 A Q H > S+ 0 0 91 -3,-0.3 4,-1.7 -4,-0.3 -1,-0.2 0.777 117.7 50.5 -57.7 -31.2 8.9 14.5 0.2 58 58 A G H > S+ 0 0 31 -3,-0.3 4,-2.5 -4,-0.2 -1,-0.2 0.872 114.5 43.1 -73.1 -45.5 10.6 17.9 -0.0 59 59 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 15,-0.4 0.884 114.0 53.7 -69.5 -40.1 7.9 19.6 2.2 60 60 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 -5,-0.4 -2,-0.2 0.874 111.9 45.0 -57.9 -42.1 8.1 16.5 4.4 61 61 A T H X S+ 0 0 73 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.955 115.5 43.3 -68.6 -55.1 11.9 16.9 4.8 62 62 A D H < S+ 0 0 49 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.809 113.6 55.5 -60.9 -34.2 11.9 20.6 5.4 63 63 A G H >X S+ 0 0 0 -4,-2.1 3,-2.0 2,-0.2 4,-0.8 0.946 104.7 49.9 -65.6 -51.0 9.0 20.1 7.7 64 64 A M H >< S+ 0 0 43 -4,-2.5 3,-0.9 1,-0.3 -2,-0.2 0.907 111.1 53.2 -50.3 -43.3 10.8 17.5 9.9 65 65 A N T 3< S+ 0 0 122 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.671 96.3 67.1 -70.2 -15.9 13.6 20.1 10.0 66 66 A A T <4 S- 0 0 33 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.737 98.5-135.4 -78.2 -24.7 11.3 22.9 11.2 67 67 A G X<> - 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