==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT (COPPER) 09-DEC-94 1NZR . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.-C.TSAI,L.SJOLIN,V.LANGER,N.BONANDER,B.G.KARLSSON, . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 19.5 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 . 4 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 . 35 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 0 0 0 0 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 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 PARALLEL BRIDGES PER LADDER . 8 4 0 8 0 0 4 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 4 0 4 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 0 131 0, 0.0 2,-0.9 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -81.6 -10.7 52.9 26.8 2 2 A E - 0 0 169 1,-0.2 3,-0.0 27,-0.0 0, 0.0 -0.803 360.0 -38.9 -92.6 108.5 -11.9 54.0 23.3 3 3 A a S S+ 0 0 43 -2,-0.9 27,-2.2 26,-0.1 2,-0.3 0.723 125.3 80.7 50.3 29.5 -8.9 53.4 21.0 4 4 A S E -a 30 0A 37 25,-0.2 2,-0.4 92,-0.0 27,-0.2 -0.990 61.0-150.7-154.4 155.1 -6.3 54.5 23.6 5 5 A V E -a 31 0A 30 25,-2.6 27,-2.5 -2,-0.3 2,-0.5 -0.998 8.2-148.2-135.0 135.6 -4.6 53.1 26.6 6 6 A D E +a 32 0A 121 -2,-0.4 2,-0.3 25,-0.2 27,-0.2 -0.927 30.3 177.1 -95.8 129.0 -3.3 55.0 29.7 7 7 A I E -a 33 0A 1 25,-3.0 27,-1.5 -2,-0.5 2,-0.4 -0.919 16.6-145.8-133.8 157.2 -0.2 53.1 31.0 8 8 A Q E -a 34 0A 90 -2,-0.3 8,-2.0 25,-0.2 2,-0.5 -0.996 6.4-160.4-134.1 135.4 2.2 53.8 33.9 9 9 A G B -C 15 0B 0 25,-2.9 6,-0.2 -2,-0.4 2,-0.1 -0.961 24.0-168.3-107.8 120.2 5.9 53.2 34.3 10 10 A N > - 0 0 26 4,-2.2 3,-1.3 -2,-0.5 4,-0.4 -0.449 37.7 -99.5-106.8 179.7 6.9 53.2 38.1 11 11 A D T 3 S+ 0 0 17 25,-0.3 363,-0.1 1,-0.3 26,-0.1 0.487 115.1 70.7 -77.3 1.2 10.3 53.2 40.0 12 12 A Q T 3 S- 0 0 88 2,-0.2 -1,-0.3 361,-0.1 3,-0.1 0.388 116.7-109.1 -92.0 7.0 10.1 49.4 40.5 13 13 A M S < S+ 0 0 0 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.940 79.1 126.9 60.7 53.3 10.8 49.0 36.8 14 14 A Q - 0 0 17 -4,-0.4 -4,-2.2 107,-0.1 2,-0.4 -0.989 53.8-145.9-139.2 140.8 7.3 47.8 36.1 15 15 A F B -C 9 0B 9 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.835 27.2-126.3 -99.6 151.4 4.5 48.9 33.7 16 16 A N S S+ 0 0 57 -8,-2.0 2,-0.3 -2,-0.4 -7,-0.1 0.380 91.8 38.0 -78.8 1.8 1.0 48.5 35.1 17 17 A T - 0 0 39 -9,-0.2 3,-0.1 387,-0.1 -2,-0.1 -0.991 52.9-171.4-145.5 156.2 -0.1 46.4 32.1 18 18 A N S S+ 0 0 24 -2,-0.3 106,-1.7 1,-0.2 2,-0.3 0.206 72.2 53.2-134.5 23.0 1.5 43.6 30.0 19 19 A A E -d 124 0C 57 104,-0.2 2,-0.4 384,-0.1 -1,-0.2 -0.892 58.3-168.8-158.8 117.5 -1.0 43.1 27.2 20 20 A I E -d 125 0C 6 104,-2.8 106,-2.1 -2,-0.3 2,-0.5 -0.942 5.0-162.1-113.7 132.0 -2.5 45.7 24.8 21 21 A T E -d 126 0C 79 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.958 5.6-163.4-108.6 125.1 -5.3 44.9 22.5 22 22 A V E -d 127 0C 0 104,-3.1 106,-2.6 -2,-0.5 2,-0.4 -0.951 20.3-128.0-108.9 131.7 -5.8 47.3 19.5 23 23 A D > - 0 0 69 -2,-0.5 3,-2.5 104,-0.2 104,-0.1 -0.674 6.2-134.2 -87.8 134.7 -9.2 47.1 17.8 24 24 A K T 3 S+ 0 0 122 104,-2.3 -1,-0.1 -2,-0.4 75,-0.0 0.811 103.2 65.8 -50.9 -31.9 -9.3 46.7 14.1 25 25 A S T 3 S+ 0 0 82 103,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.542 80.2 102.5 -71.6 -5.9 -12.0 49.4 14.0 26 26 A a < - 0 0 10 -3,-2.5 3,-0.1 1,-0.2 73,-0.0 -0.547 53.9-165.6 -80.4 140.4 -9.6 52.0 15.2 27 27 A K S S+ 0 0 170 1,-0.3 72,-2.4 -2,-0.2 73,-0.5 0.804 84.5 11.7 -79.4 -40.3 -8.2 54.4 12.6 28 28 A Q E - B 0 98A 98 70,-0.3 2,-0.4 71,-0.1 -1,-0.3 -0.884 67.5-146.3-133.8 152.7 -5.6 55.4 15.2 29 29 A F E - B 0 97A 10 68,-2.3 68,-1.9 -2,-0.3 2,-0.5 -1.000 13.4-156.9-127.8 134.0 -4.4 54.0 18.5 30 30 A T E -aB 4 96A 28 -27,-2.2 -25,-2.6 -2,-0.4 2,-0.4 -0.930 4.7-167.4-112.6 128.2 -3.2 56.3 21.3 31 31 A V E -aB 5 95A 0 64,-2.3 64,-2.2 -2,-0.5 2,-0.5 -0.916 6.3-161.2-110.5 136.2 -0.9 55.2 24.1 32 32 A N E -aB 6 94A 28 -27,-2.5 -25,-3.0 -2,-0.4 2,-0.4 -0.970 10.0-164.4-125.9 106.2 -0.5 57.7 27.1 33 33 A L E +aB 7 93A 0 60,-3.4 60,-2.4 -2,-0.5 2,-0.3 -0.826 11.8 171.8 -97.1 132.7 2.6 57.0 29.2 34 34 A S E -aB 8 92A 33 -27,-1.5 -25,-2.9 -2,-0.4 58,-0.2 -0.880 24.0-140.9-133.3 165.1 3.1 58.4 32.8 35 35 A H - 0 0 3 56,-1.4 55,-2.3 -2,-0.3 56,-0.2 -0.698 14.0-166.4-134.6 86.4 5.8 57.8 35.4 36 36 A P + 0 0 53 0, 0.0 -25,-0.3 0, 0.0 2,-0.3 -0.348 53.1 51.9 -61.5 142.7 4.5 57.7 39.1 37 37 A G S S- 0 0 42 -27,-0.1 53,-0.1 1,-0.1 -2,-0.1 -0.770 85.0 -88.8 129.3-164.8 7.3 57.9 41.6 38 38 A N S S+ 0 0 148 -2,-0.3 -1,-0.1 51,-0.1 51,-0.0 0.471 75.7 107.8-125.8 -11.4 10.3 60.1 42.4 39 39 A L - 0 0 19 1,-0.1 50,-1.7 5,-0.1 2,-0.0 -0.529 65.1-119.6 -78.6 142.2 13.4 58.8 40.6 40 40 A P >> - 0 0 57 0, 0.0 4,-2.8 0, 0.0 3,-1.5 -0.178 26.3 -98.7 -68.8 170.6 14.8 60.9 37.7 41 41 A K H 3> S+ 0 0 81 1,-0.3 4,-1.3 2,-0.2 46,-0.1 0.898 118.5 58.2 -56.0 -48.0 15.2 59.9 33.9 42 42 A N H 34 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.2 26,-0.0 0.593 119.2 30.5 -65.0 -6.3 18.9 59.1 34.1 43 43 A V H <4 S+ 0 0 3 -3,-1.5 -2,-0.2 259,-0.1 -1,-0.2 0.706 141.2 10.7-121.3 -39.8 18.2 56.4 36.8 44 44 A M H < S+ 0 0 0 -4,-2.8 -2,-0.2 2,-0.0 -3,-0.2 -0.288 82.0 165.7-134.6 47.3 14.7 55.1 36.1 45 45 A G < - 0 0 0 -4,-1.3 2,-0.4 41,-0.1 43,-0.2 -0.280 15.0-165.6 -63.1 146.9 13.9 56.6 32.6 46 46 A H B +H 87 0D 0 41,-2.1 41,-3.2 -37,-0.1 2,-0.3 -1.000 16.6 166.0-138.3 139.5 10.8 55.0 30.8 47 47 A N - 0 0 0 -2,-0.4 2,-0.6 39,-0.3 39,-0.1 -0.916 32.8-129.9-137.5 160.2 9.6 55.1 27.2 48 48 A M + 0 0 0 -2,-0.3 36,-1.3 37,-0.3 2,-0.4 -0.992 31.8 179.4-110.4 117.7 7.0 52.9 25.4 49 49 A V E -EF 83 111C 0 62,-2.7 62,-1.9 -2,-0.6 2,-0.4 -0.976 10.4-156.8-116.9 136.6 8.6 51.7 22.2 50 50 A L E +EF 82 110C 0 32,-2.3 31,-2.9 -2,-0.4 32,-0.8 -0.962 27.0 136.4-118.7 131.7 6.6 49.4 19.9 51 51 A S E - F 0 109C 0 58,-1.9 58,-2.1 -2,-0.4 2,-0.2 -0.820 58.9 -69.4-148.7-171.7 7.9 47.0 17.2 52 52 A T E >> - F 0 108C 17 27,-0.3 4,-1.4 56,-0.3 3,-0.7 -0.582 49.6-111.3 -77.9 161.0 7.3 43.4 16.0 53 53 A A T 34 S+ 0 0 3 54,-3.1 4,-0.4 1,-0.3 3,-0.3 0.899 119.7 56.9 -61.4 -35.1 8.4 40.8 18.5 54 54 A A T 34 S+ 0 0 43 53,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.826 107.6 43.3 -65.6 -33.4 11.1 39.9 16.0 55 55 A D T X> S+ 0 0 52 -3,-0.7 4,-2.2 1,-0.2 3,-0.5 0.680 86.5 94.3 -89.5 -15.5 12.7 43.4 15.9 56 56 A M H 3X S+ 0 0 24 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.2 0.834 82.7 51.5 -39.8 -52.1 12.6 44.1 19.6 57 57 A Q H 3> S+ 0 0 10 -4,-0.4 4,-2.9 -3,-0.3 5,-0.2 0.877 109.8 47.8 -62.7 -40.7 16.2 42.8 20.2 58 58 A G H <> S+ 0 0 6 -3,-0.5 4,-2.6 -4,-0.3 5,-0.3 0.908 113.9 49.0 -64.0 -38.1 17.8 44.9 17.5 59 59 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 15,-0.3 0.914 113.8 45.7 -66.3 -42.9 15.9 47.9 18.8 60 60 A V H X S+ 0 0 13 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.979 115.8 45.3 -65.5 -58.4 17.0 47.2 22.5 61 61 A T H X S+ 0 0 37 -4,-2.9 4,-1.8 1,-0.2 3,-0.3 0.945 118.2 41.8 -50.6 -54.4 20.6 46.6 21.6 62 62 A D H < S+ 0 0 30 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.820 110.7 58.2 -67.3 -27.7 20.9 49.7 19.3 63 63 A G H >X S+ 0 0 0 -4,-1.9 3,-1.2 -5,-0.3 4,-0.5 0.894 104.0 51.3 -63.1 -45.9 19.0 51.8 21.7 64 64 A M H >< S+ 0 0 32 -4,-2.0 3,-1.9 -3,-0.3 -2,-0.2 0.983 109.8 50.2 -54.7 -59.9 21.5 51.1 24.4 65 65 A A T 3< S+ 0 0 88 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.522 96.0 72.8 -56.8 -10.6 24.3 52.1 22.1 66 66 A S T <4 S- 0 0 24 -3,-1.2 4,-0.3 -4,-0.3 -1,-0.3 0.710 97.5-134.1 -83.3 -18.1 22.6 55.4 21.2 67 67 A G <<> - 0 0 21 -3,-1.9 5,-2.2 -4,-0.5 3,-0.4 -0.023 25.1 -71.2 90.7 165.1 23.3 57.0 24.6 68 68 A L T > 5S+ 0 0 48 1,-0.2 3,-2.0 3,-0.2 -1,-0.1 0.873 127.2 57.3 -69.0 -38.8 21.2 59.0 27.1 69 69 A D T 3 5S+ 0 0 127 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.788 104.6 53.6 -62.1 -27.3 20.9 62.1 25.0 70 70 A K T > 5S- 0 0 94 -3,-0.4 3,-1.7 -4,-0.3 -1,-0.3 0.176 118.6-113.8 -88.8 17.4 19.4 60.0 22.3 71 71 A D T < 5 - 0 0 41 -3,-2.0 -3,-0.2 1,-0.3 42,-0.2 0.808 62.0 -74.7 49.5 34.8 16.7 58.7 24.8 72 72 A Y T 3 - 0 0 80 -2,-0.4 3,-0.7 -15,-0.3 2,-0.2 -0.509 45.1-117.5 -61.1 120.6 18.5 54.7 17.6 75 75 A P T 3 S+ 0 0 76 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.504 93.9 12.5 -72.7 138.6 16.9 57.8 15.9 76 76 A D T 3 S- 0 0 162 1,-0.2 2,-0.6 -2,-0.2 -2,-0.0 0.933 82.3-179.4 59.5 47.2 14.9 56.8 12.8 77 77 A D X - 0 0 13 -3,-0.7 3,-1.3 1,-0.2 -1,-0.2 -0.715 23.1-146.7 -75.5 122.6 15.1 53.3 13.7 78 78 A S T 3 S+ 0 0 117 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.656 93.4 59.5 -68.4 -16.6 13.1 51.7 10.8 79 79 A R T 3 S+ 0 0 53 -24,-0.1 2,-0.5 -28,-0.0 -27,-0.3 0.615 80.3 95.3 -87.7 -9.2 11.8 49.1 13.2 80 80 A V < - 0 0 24 -3,-1.3 -29,-0.2 1,-0.2 3,-0.1 -0.700 48.6-173.1 -89.9 123.0 10.0 51.3 15.7 81 81 A I S S- 0 0 35 -31,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.879 73.0 -18.0 -79.6 -39.1 6.3 51.7 14.8 82 82 A A E +E 50 0C 9 -32,-0.8 -32,-2.3 15,-0.1 -1,-0.3 -0.972 66.5 177.2-156.3 157.5 5.8 54.4 17.5 83 83 A H E -E 49 0C 89 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.979 19.4-138.3-157.7 162.2 7.6 55.6 20.7 84 84 A T - 0 0 2 -36,-1.3 2,-0.1 -2,-0.3 11,-0.1 -0.502 42.6 -88.6-103.7-178.4 7.4 58.2 23.4 85 85 A K - 0 0 114 -2,-0.2 2,-0.6 9,-0.1 -37,-0.3 -0.436 51.6 -93.3 -77.3 172.2 10.3 60.2 24.8 86 86 A L - 0 0 3 -39,-0.1 2,-0.3 -2,-0.1 -39,-0.3 -0.829 55.1-165.4 -87.3 112.8 12.2 58.6 27.7 87 87 A I B -H 46 0D 7 -41,-3.2 -41,-2.1 -2,-0.6 2,-0.1 -0.836 12.9-154.0-106.4 144.2 10.4 60.2 30.7 88 88 A G > - 0 0 3 -2,-0.3 3,-1.3 -43,-0.2 -53,-0.1 -0.295 51.6 -44.3 -91.3-169.9 11.5 60.4 34.4 89 89 A S T 3 S+ 0 0 32 -50,-1.7 -1,-0.2 1,-0.2 -48,-0.1 -0.238 125.6 17.2 -63.5 145.8 9.1 60.7 37.4 90 90 A G T 3 S+ 0 0 74 -55,-2.3 -1,-0.2 1,-0.2 -52,-0.0 0.138 103.2 111.5 81.3 -22.0 6.3 63.2 37.3 91 91 A E < - 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