==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT(COPPER BINDING) 09-AUG-00 1E67 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR H.NAR,A.MESSERSCHMIDT . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 63.5 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 . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 10.9 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 0 0 2 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 0 116 0, 0.0 2,-0.7 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0-155.9 -10.5 53.5 26.7 2 2 A E T 3 - 0 0 177 1,-0.2 3,-0.1 27,-0.0 0, 0.0 -0.621 360.0 -31.1 -75.7 112.3 -11.8 54.3 23.2 3 3 A a T 3 S+ 0 0 40 -2,-0.7 27,-2.0 1,-0.1 2,-0.3 0.693 128.8 76.3 52.1 28.0 -8.8 53.8 20.8 4 4 A S E < -a 30 0A 28 -3,-0.6 2,-0.3 25,-0.2 27,-0.2 -0.976 58.3-158.5-156.6 163.1 -6.4 54.8 23.5 5 5 A V E -a 31 0A 31 25,-1.9 27,-3.1 -2,-0.3 2,-0.5 -0.993 12.6-143.5-147.2 140.9 -4.7 53.6 26.7 6 6 A D E -a 32 0A 106 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.928 28.5-176.7-105.9 131.7 -3.1 55.4 29.6 7 7 A I E -a 33 0A 0 25,-2.9 27,-2.2 -2,-0.5 2,-0.4 -0.977 13.4-149.2-135.8 148.3 -0.0 53.5 30.9 8 8 A Q E -a 34 0A 90 -2,-0.3 8,-1.8 25,-0.2 2,-0.4 -0.936 5.9-162.9-123.2 144.8 2.3 54.1 33.8 9 9 A G B -C 15 0B 0 25,-2.4 6,-0.2 -2,-0.4 2,-0.1 -0.995 24.6-167.5-121.7 118.7 6.0 53.3 34.2 10 10 A N > - 0 0 27 4,-2.1 3,-1.3 -2,-0.4 4,-0.3 -0.426 37.2 -91.5-108.6-176.9 7.0 53.4 38.0 11 11 A D T 3 S+ 0 0 16 1,-0.3 363,-0.1 2,-0.1 26,-0.1 0.450 118.2 64.3 -74.8 -1.4 10.2 53.4 40.0 12 12 A Q T 3 S- 0 0 90 2,-0.2 -1,-0.3 361,-0.1 32,-0.0 0.112 118.5-105.9-101.1 19.3 10.3 49.6 40.3 13 13 A M S < S+ 0 0 2 -3,-1.3 2,-0.4 1,-0.2 -2,-0.1 0.935 78.1 132.7 56.7 50.8 10.8 49.2 36.5 14 14 A Q - 0 0 16 -4,-0.3 -4,-2.1 107,-0.1 2,-0.3 -0.992 49.1-148.9-132.9 140.4 7.2 48.1 36.0 15 15 A F B -C 9 0B 13 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.762 25.2-127.4 -97.1 154.1 4.5 49.1 33.5 16 16 A N S S+ 0 0 67 -8,-1.8 2,-0.3 -2,-0.3 -7,-0.1 0.322 92.0 39.4 -90.8 8.4 0.9 48.8 34.8 17 17 A T - 0 0 43 -9,-0.3 -2,-0.1 387,-0.1 3,-0.1 -0.975 52.6-175.1-144.6 156.5 -0.2 46.7 31.9 18 18 A N S S+ 0 0 26 -2,-0.3 106,-1.7 1,-0.3 2,-0.3 0.272 73.8 51.1-133.1 11.5 1.5 44.0 30.0 19 19 A A E -d 124 0C 49 104,-0.2 2,-0.4 384,-0.1 -1,-0.3 -0.972 59.3-173.0-150.4 126.7 -1.0 43.3 27.2 20 20 A I E -d 125 0C 7 104,-2.5 106,-2.3 -2,-0.3 2,-0.4 -0.996 6.0-162.5-127.1 134.6 -2.7 45.9 24.8 21 21 A T E -d 126 0C 71 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.933 3.3-162.7-110.7 131.7 -5.4 45.1 22.4 22 22 A V E -d 127 0C 0 104,-3.3 106,-2.9 -2,-0.4 2,-0.3 -0.976 18.5-133.8-117.5 123.6 -6.1 47.5 19.5 23 23 A D > - 0 0 79 -2,-0.5 3,-1.8 104,-0.2 76,-0.1 -0.652 13.5-129.1 -78.9 138.7 -9.5 47.1 17.8 24 24 A K T 3 S+ 0 0 107 104,-2.5 -1,-0.1 -2,-0.3 75,-0.1 0.779 103.2 69.6 -59.3 -28.8 -9.3 47.1 14.0 25 25 A S T 3 S+ 0 0 86 2,-0.0 -1,-0.3 74,-0.0 2,-0.1 0.728 77.0 101.3 -62.5 -22.6 -12.1 49.8 13.8 26 26 A a < - 0 0 12 -3,-1.8 3,-0.1 1,-0.2 -4,-0.0 -0.432 56.5-164.2 -64.5 131.0 -9.7 52.4 15.2 27 27 A K S S+ 0 0 173 1,-0.3 72,-2.1 -2,-0.1 73,-0.5 0.811 82.0 9.8 -73.2 -40.2 -8.2 54.6 12.6 28 28 A Q E - B 0 98A 108 70,-0.3 2,-0.4 71,-0.1 -1,-0.3 -0.854 69.5-147.4-134.7 160.4 -5.5 55.7 15.1 29 29 A F E - B 0 97A 8 68,-2.0 68,-2.5 -2,-0.3 2,-0.4 -0.989 11.9-156.7-137.8 134.7 -4.5 54.4 18.5 30 30 A T E -aB 4 96A 30 -27,-2.0 -25,-1.9 -2,-0.4 2,-0.4 -0.957 4.7-165.0-114.0 132.2 -3.1 56.7 21.2 31 31 A V E -aB 5 95A 0 64,-2.7 64,-2.1 -2,-0.4 2,-0.6 -0.965 6.3-161.0-113.7 131.0 -0.9 55.6 24.2 32 32 A N E -aB 6 94A 36 -27,-3.1 -25,-2.9 -2,-0.4 2,-0.4 -0.936 12.8-163.3-115.7 108.2 -0.5 58.1 27.0 33 33 A L E +aB 7 93A 1 60,-3.3 60,-2.1 -2,-0.6 2,-0.3 -0.746 12.6 172.2 -94.0 139.3 2.5 57.4 29.2 34 34 A S E -aB 8 92A 25 -27,-2.2 -25,-2.4 -2,-0.4 58,-0.2 -0.962 23.4-142.1-138.5 158.9 3.2 58.7 32.7 35 35 A H - 0 0 4 56,-1.3 55,-2.2 -2,-0.3 56,-0.3 -0.775 13.5-164.8-125.3 93.4 5.8 58.0 35.3 36 36 A P + 0 0 48 0, 0.0 2,-0.2 0, 0.0 55,-0.1 -0.284 52.2 53.5 -58.2 153.7 4.7 58.0 38.9 37 37 A G S S- 0 0 40 1,-0.1 -2,-0.1 -27,-0.1 -27,-0.0 -0.699 85.3 -85.6 122.8-158.8 7.5 58.2 41.4 38 38 A N S S+ 0 0 142 -2,-0.2 -1,-0.1 51,-0.1 -28,-0.0 0.387 76.5 108.0-135.1 -6.7 10.6 60.2 42.3 39 39 A L - 0 0 18 5,-0.1 50,-2.0 1,-0.1 2,-0.0 -0.656 63.4-119.3 -89.2 143.6 13.5 59.1 40.3 40 40 A P >> - 0 0 64 0, 0.0 4,-2.7 0, 0.0 3,-1.6 -0.198 29.2 -99.4 -69.0 165.6 15.0 61.1 37.4 41 41 A K H 3> S+ 0 0 78 1,-0.3 4,-1.5 2,-0.2 46,-0.1 0.862 117.7 57.4 -51.3 -47.8 15.3 60.1 33.8 42 42 A N H 34 S+ 0 0 41 1,-0.2 -1,-0.3 2,-0.2 26,-0.0 0.637 118.1 32.0 -67.5 -11.7 19.0 59.0 33.9 43 43 A V H <4 S+ 0 0 2 -3,-1.6 -2,-0.2 259,-0.1 -1,-0.2 0.755 140.2 11.8-108.8 -40.5 18.3 56.5 36.7 44 44 A M H < S+ 0 0 0 -4,-2.7 -2,-0.2 2,-0.0 -3,-0.2 -0.174 80.8 162.8-134.3 39.8 14.8 55.3 36.0 45 45 A G < - 0 0 0 -4,-1.5 2,-0.4 -5,-0.1 43,-0.2 -0.276 14.0-171.3 -63.2 146.3 13.9 56.6 32.4 46 46 A H B +H 87 0D 0 41,-1.7 41,-2.5 -37,-0.1 2,-0.3 -0.998 12.3 170.9-139.9 137.6 11.0 55.0 30.6 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.2 39,-0.1 -0.806 32.2-124.8-128.7 170.7 9.7 55.3 27.1 48 48 A W + 0 0 0 -2,-0.3 36,-1.6 37,-0.2 2,-0.4 -0.989 34.8 177.1-116.9 114.8 7.0 53.2 25.3 49 49 A V E -EF 83 111C 0 62,-2.3 62,-1.9 -2,-0.5 2,-0.4 -0.957 10.9-161.1-121.0 141.1 8.4 51.8 22.1 50 50 A L E +EF 82 110C 0 32,-2.2 31,-2.6 -2,-0.4 32,-0.9 -0.979 25.0 137.7-125.9 133.9 6.6 49.4 19.7 51 51 A S E - F 0 109C 0 58,-1.9 58,-2.2 -2,-0.4 2,-0.1 -0.853 59.8 -69.6-150.5-177.2 8.0 47.1 17.1 52 52 A T E > - F 0 108C 17 27,-0.4 4,-1.2 -2,-0.3 3,-0.5 -0.523 47.5-112.3 -73.1 160.0 7.3 43.5 15.9 53 53 A A T 4 S+ 0 0 3 54,-2.3 4,-0.5 1,-0.2 3,-0.4 0.908 119.9 58.1 -60.0 -37.1 8.3 40.8 18.4 54 54 A A T 4 S+ 0 0 43 53,-0.4 4,-0.3 1,-0.2 132,-0.3 0.853 109.3 41.0 -58.4 -39.0 11.0 39.9 15.8 55 55 A D T > S+ 0 0 50 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.613 87.9 92.9 -87.2 -16.3 12.6 43.3 15.8 56 56 A M H X S+ 0 0 28 -4,-1.2 4,-2.4 -3,-0.4 -1,-0.2 0.867 84.0 50.8 -49.6 -49.3 12.6 44.1 19.5 57 57 A Q H > S+ 0 0 13 -4,-0.5 4,-2.9 -3,-0.2 -1,-0.2 0.917 111.9 47.4 -58.9 -45.5 16.0 42.7 20.3 58 58 A G H > S+ 0 0 6 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.902 113.0 49.4 -60.4 -40.6 17.7 44.8 17.5 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 15,-0.3 0.897 112.9 47.6 -65.6 -37.8 15.8 47.8 18.6 60 60 A V H X S+ 0 0 16 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.940 112.7 47.3 -70.6 -48.2 17.0 47.2 22.2 61 61 A T H X S+ 0 0 33 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.958 117.5 41.6 -59.5 -51.2 20.7 46.6 21.4 62 62 A D H X S+ 0 0 31 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.766 111.2 56.8 -70.2 -27.8 20.9 49.7 19.1 63 63 A G H >X S+ 0 0 0 -4,-1.5 3,-0.9 -5,-0.2 4,-0.7 0.922 106.0 49.7 -65.7 -43.8 18.9 51.8 21.5 64 64 A M H >< S+ 0 0 34 -4,-2.2 3,-0.8 1,-0.3 -2,-0.2 0.938 109.3 53.5 -60.8 -44.9 21.4 51.1 24.3 65 65 A A H 3< S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.700 95.9 70.6 -62.8 -22.2 24.2 52.0 21.9 66 66 A S H << S- 0 0 29 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.814 97.4-127.9 -69.6 -31.6 22.6 55.5 21.1 67 67 A G X<> - 0 0 19 -3,-0.8 5,-2.1 -4,-0.7 3,-0.8 -0.154 23.7 -77.8 105.3 161.7 23.2 57.2 24.4 68 68 A L G > 5S+ 0 0 50 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.879 127.5 59.5 -64.9 -40.3 21.2 59.0 27.0 69 69 A D G 3 5S+ 0 0 128 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.692 105.5 50.0 -62.4 -23.4 21.2 62.1 24.9 70 70 A K G X 5S- 0 0 103 -3,-0.8 3,-1.2 -7,-0.1 -1,-0.3 0.222 117.2-112.2 -98.7 15.0 19.4 60.1 22.2 71 71 A D T < 5 - 0 0 41 -3,-2.0 -3,-0.2 1,-0.3 42,-0.2 0.772 60.8 -77.6 60.3 27.7 16.7 58.7 24.6 72 72 A Y T 3 - 0 0 78 -2,-0.4 3,-1.5 -15,-0.3 -11,-0.1 -0.407 45.9-109.3 -66.1 123.2 18.5 54.7 17.4 75 75 A P T 3 S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.366 97.4 1.5 -65.3 133.0 17.3 57.9 15.6 76 76 A D T 3 S- 0 0 164 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.799 84.5-179.1 59.0 34.4 15.0 57.1 12.7 77 77 A D X - 0 0 13 -3,-1.5 3,-1.3 1,-0.2 -1,-0.2 -0.536 20.5-149.5 -61.6 123.8 15.1 53.4 13.4 78 78 A S T 3 S+ 0 0 117 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.688 91.1 62.5 -76.4 -17.1 12.9 51.8 10.7 79 79 A R T 3 S+ 0 0 54 -24,-0.1 2,-0.7 -28,-0.0 -27,-0.4 0.602 81.7 92.1 -82.0 -12.6 11.8 49.0 13.0 80 80 A V < - 0 0 23 -3,-1.3 -29,-0.2 1,-0.2 3,-0.1 -0.751 51.6-174.2 -90.3 119.1 10.1 51.3 15.5 81 81 A I S S- 0 0 36 -31,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.904 70.7 -16.3 -77.5 -42.3 6.5 51.7 14.6 82 82 A A E +E 50 0C 9 -32,-0.9 -32,-2.2 15,-0.1 -1,-0.3 -0.973 66.4 172.2-160.0 154.2 5.8 54.3 17.4 83 83 A H E -E 49 0C 87 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.1 -0.977 22.7-134.3-161.3 151.2 7.5 55.6 20.5 84 84 A T - 0 0 2 -36,-1.6 2,-0.1 -2,-0.3 11,-0.1 -0.384 41.4 -92.5 -92.5-178.3 7.3 58.3 23.2 85 85 A K - 0 0 115 -2,-0.1 2,-0.5 9,-0.1 -37,-0.2 -0.377 51.6 -91.0 -76.8 175.2 10.3 60.3 24.4 86 86 A L - 0 0 4 -39,-0.1 2,-0.3 -2,-0.1 -39,-0.2 -0.806 53.4-168.6 -94.9 128.4 12.2 59.0 27.5 87 87 A I B -H 46 0D 7 -41,-2.5 -41,-1.7 -2,-0.5 2,-0.1 -0.929 15.7-150.3-126.6 151.0 10.6 60.5 30.7 88 88 A G > - 0 0 2 -2,-0.3 3,-1.6 1,-0.2 -53,-0.2 -0.267 52.5 -51.1-100.9-175.0 11.5 60.7 34.3 89 89 A S T 3 S+ 0 0 29 -50,-2.0 -1,-0.2 1,-0.3 -48,-0.1 -0.274 124.9 22.9 -65.3 149.8 9.2 60.9 37.2 90 90 A G T 3 S+ 0 0 79 -55,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.397 102.5 113.5 77.5 -4.1 6.5 63.6 37.2 91 91 A E < - 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