==== 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) 08-AUG-00 1E65 . 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) . 21313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 63.9 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 . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 11.7 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 1 0 0 3 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 0 101 0, 0.0 2,-0.8 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0-172.1 -10.1 53.7 26.2 2 2 A E T 3 - 0 0 173 1,-0.3 3,-0.1 27,-0.0 0, 0.0 -0.509 360.0 -37.4 -64.1 99.4 -11.7 54.7 22.8 3 3 A a T 3 S+ 0 0 40 -2,-0.8 27,-2.0 1,-0.1 2,-0.3 0.704 132.8 79.2 49.2 28.3 -8.6 54.2 20.5 4 4 A S E < -a 30 0A 32 -3,-0.8 2,-0.3 25,-0.2 27,-0.2 -0.982 58.2-164.3-153.1 156.8 -6.4 55.5 23.3 5 5 A V E -a 31 0A 31 25,-1.8 27,-2.3 -2,-0.3 2,-0.5 -0.983 13.4-144.2-142.1 146.0 -4.9 54.1 26.5 6 6 A D E +a 32 0A 111 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.979 28.3 179.0-110.6 125.6 -3.3 55.9 29.4 7 7 A I E -a 33 0A 1 25,-2.8 27,-1.9 -2,-0.5 2,-0.3 -0.955 14.0-151.0-133.2 148.3 -0.4 54.0 30.9 8 8 A Q E -a 34 0A 88 -2,-0.3 8,-1.9 25,-0.2 2,-0.4 -0.896 5.8-156.5-118.7 151.8 2.0 54.7 33.7 9 9 A G B -C 15 0B 0 25,-2.2 6,-0.2 -2,-0.3 2,-0.1 -0.999 21.6-161.5-122.3 121.1 5.6 53.6 34.4 10 10 A N > - 0 0 29 4,-2.4 3,-1.0 -2,-0.4 4,-0.4 -0.338 35.0 -94.7 -99.0-177.8 6.5 53.7 38.2 11 11 A D T 3 S+ 0 0 24 1,-0.3 363,-0.1 2,-0.1 26,-0.1 0.499 116.8 67.7 -77.2 1.4 9.9 53.8 40.0 12 12 A Q T 3 S- 0 0 94 2,-0.2 -1,-0.3 361,-0.1 -2,-0.0 -0.050 118.9-103.5-107.9 27.7 10.0 50.0 40.4 13 13 A M S < S+ 0 0 3 -3,-1.0 2,-0.4 1,-0.2 -2,-0.1 0.880 79.0 131.4 54.6 51.3 10.4 49.5 36.6 14 14 A Q - 0 0 18 -4,-0.4 -4,-2.4 107,-0.1 2,-0.3 -0.999 48.3-149.3-138.4 129.1 6.8 48.5 36.0 15 15 A F B -C 9 0B 14 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.660 27.0-125.1 -81.2 152.8 4.2 49.6 33.5 16 16 A N S S+ 0 0 71 -8,-1.9 2,-0.3 -2,-0.3 -7,-0.1 0.218 91.5 39.3 -91.5 16.3 0.6 49.4 34.8 17 17 A T - 0 0 43 -9,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.980 52.8-171.6-149.8 158.1 -0.5 47.3 31.9 18 18 A N S S+ 0 0 34 -2,-0.3 106,-2.1 1,-0.3 2,-0.3 0.343 74.5 48.5-129.5 9.8 1.0 44.4 30.0 19 19 A A E -d 124 0C 48 104,-0.2 2,-0.4 90,-0.0 -1,-0.3 -0.979 59.0-171.3-150.5 129.3 -1.4 43.8 27.1 20 20 A I E -d 125 0C 6 104,-2.5 106,-2.6 -2,-0.3 2,-0.5 -0.997 7.0-159.8-124.8 127.2 -2.9 46.5 24.8 21 21 A T E -d 126 0C 74 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.920 2.3-161.4-106.6 127.5 -5.6 45.7 22.3 22 22 A V E -d 127 0C 0 104,-3.2 106,-2.6 -2,-0.5 2,-0.3 -0.947 19.6-132.8-105.4 118.5 -6.1 48.1 19.3 23 23 A D > - 0 0 63 -2,-0.6 3,-2.1 104,-0.2 76,-0.1 -0.532 12.5-128.4 -73.6 139.8 -9.5 47.7 17.7 24 24 A K T 3 S+ 0 0 117 104,-3.1 -1,-0.1 1,-0.3 75,-0.0 0.796 104.2 68.0 -55.7 -33.3 -9.4 47.5 13.9 25 25 A S T 3 S+ 0 0 89 103,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.711 78.4 102.1 -61.7 -21.1 -12.0 50.3 13.6 26 26 A a < - 0 0 11 -3,-2.1 3,-0.1 1,-0.2 73,-0.1 -0.464 53.5-166.9 -70.5 126.9 -9.4 52.8 14.9 27 27 A K S S+ 0 0 177 -2,-0.3 72,-2.2 1,-0.2 73,-0.5 0.809 81.5 11.0 -75.6 -30.7 -7.8 54.9 12.2 28 28 A Q E - B 0 98A 105 70,-0.3 2,-0.4 71,-0.2 70,-0.2 -0.915 69.0-149.3-142.2 159.8 -5.2 56.1 14.8 29 29 A F E - B 0 97A 6 68,-2.4 68,-2.6 -2,-0.3 2,-0.4 -0.995 10.3-155.9-135.7 141.0 -4.3 54.9 18.3 30 30 A T E -aB 4 96A 29 -27,-2.0 -25,-1.8 -2,-0.4 2,-0.4 -0.946 4.5-164.3-120.1 137.2 -2.9 57.1 21.1 31 31 A V E -aB 5 95A 0 64,-2.9 64,-2.1 -2,-0.4 2,-0.6 -0.972 5.3-161.7-118.1 131.7 -0.8 56.1 24.1 32 32 A N E -aB 6 94A 30 -27,-2.3 -25,-2.8 -2,-0.4 2,-0.4 -0.955 11.8-166.2-119.1 108.1 -0.5 58.6 26.9 33 33 A L E +aB 7 93A 0 60,-2.7 60,-2.3 -2,-0.6 2,-0.3 -0.826 9.9 175.4 -98.7 131.7 2.5 57.8 29.2 34 34 A S E -aB 8 92A 32 -27,-1.9 -25,-2.2 -2,-0.4 58,-0.2 -0.928 22.2-141.7-125.8 156.8 3.1 59.3 32.7 35 35 A H - 0 0 4 56,-1.8 55,-2.2 -2,-0.3 56,-0.3 -0.757 14.4-167.2-122.5 91.1 5.7 58.5 35.2 36 36 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 -25,-0.1 -0.364 51.8 54.7 -57.7 147.9 4.5 58.5 38.9 37 37 A G S S- 0 0 41 -27,-0.1 -2,-0.1 1,-0.1 53,-0.0 -0.751 84.5 -89.3 125.8-163.4 7.4 58.6 41.4 38 38 A N S S+ 0 0 145 -2,-0.3 -1,-0.1 51,-0.1 51,-0.0 0.438 73.6 113.8-129.7 -12.9 10.6 60.5 42.3 39 39 A L - 0 0 17 1,-0.1 50,-1.9 5,-0.1 2,-0.0 -0.505 61.9-121.3 -80.3 140.9 13.4 59.1 40.4 40 40 A P >> - 0 0 60 0, 0.0 4,-2.6 0, 0.0 3,-1.1 -0.181 28.1-102.1 -70.4 169.6 15.2 61.2 37.7 41 41 A K H 3> S+ 0 0 76 1,-0.3 4,-1.4 2,-0.2 46,-0.1 0.793 115.6 60.2 -69.5 -27.9 15.5 60.2 34.0 42 42 A N H 34 S+ 0 0 38 2,-0.2 -1,-0.3 1,-0.2 26,-0.0 0.751 119.4 29.9 -74.2 -17.0 19.2 59.0 34.1 43 43 A V H <4 S+ 0 0 1 -3,-1.1 -2,-0.2 259,-0.1 -1,-0.2 0.731 142.6 9.7-105.4 -38.3 18.2 56.4 36.7 44 44 A M H < S+ 0 0 0 -4,-2.6 2,-0.2 2,-0.1 -2,-0.2 -0.181 75.3 155.9-143.0 44.0 14.6 55.6 35.8 45 45 A G < - 0 0 0 -4,-1.4 2,-0.3 43,-0.1 43,-0.2 -0.606 25.0-161.1 -74.0 138.7 13.7 57.3 32.5 46 46 A H B +H 87 0D 0 41,-2.1 41,-2.8 -2,-0.2 2,-0.3 -0.909 16.1 172.7-119.8 149.8 10.8 55.4 30.8 47 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.2 67,-0.1 -0.916 28.4-132.1-145.5 161.2 9.6 55.5 27.1 48 48 A W - 0 0 0 -2,-0.3 36,-1.7 37,-0.2 2,-0.4 -0.998 30.5-178.5-119.2 119.5 6.9 53.3 25.4 49 49 A V E -EF 83 111C 0 62,-2.2 62,-1.7 -2,-0.5 2,-0.4 -0.961 10.6-155.2-122.8 139.1 8.3 51.9 22.1 50 50 A L E +EF 82 110C 0 32,-2.5 31,-2.7 -2,-0.4 32,-0.7 -0.964 27.8 136.5-117.2 135.1 6.3 49.7 19.7 51 51 A S E - F 0 109C 0 58,-1.9 58,-2.3 -2,-0.4 2,-0.1 -0.910 58.0 -75.2-153.3-177.7 7.8 47.1 17.2 52 52 A T E >> - F 0 108C 16 27,-0.3 4,-1.2 -2,-0.3 3,-0.7 -0.513 49.9-108.6 -76.6 161.6 7.0 43.6 15.9 53 53 A A H 3> S+ 0 0 6 54,-2.3 4,-0.5 1,-0.2 3,-0.2 0.844 119.6 56.9 -57.1 -34.0 8.0 40.9 18.4 54 54 A A H 34 S+ 0 0 39 53,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.783 108.4 43.9 -70.2 -30.6 10.8 40.0 16.0 55 55 A D H <> S+ 0 0 51 -3,-0.7 4,-2.4 1,-0.1 5,-0.2 0.626 88.2 89.5 -91.6 -13.7 12.4 43.5 15.9 56 56 A M H X S+ 0 0 22 -4,-1.2 4,-2.9 1,-0.2 3,-0.3 0.932 84.6 51.8 -51.8 -52.5 12.3 44.2 19.6 57 57 A Q H X S+ 0 0 15 -4,-0.5 4,-2.9 1,-0.3 -1,-0.2 0.907 113.8 43.4 -59.8 -38.7 15.7 42.7 20.5 58 58 A G H > S+ 0 0 4 -4,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.870 112.2 52.6 -71.6 -33.7 17.5 44.7 17.8 59 59 A V H X S+ 0 0 1 -4,-2.4 4,-2.0 -3,-0.3 15,-0.3 0.952 112.8 46.8 -66.4 -42.3 15.6 47.8 18.7 60 60 A V H X S+ 0 0 14 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.927 112.5 48.4 -64.8 -47.0 16.7 47.3 22.3 61 61 A T H X S+ 0 0 38 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.943 115.8 42.9 -63.5 -42.8 20.4 46.5 21.5 62 62 A D H X S+ 0 0 32 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.836 109.8 56.5 -74.8 -28.5 20.7 49.6 19.3 63 63 A G H X S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.2 3,-0.5 0.923 104.6 54.1 -64.1 -41.6 18.8 51.9 21.6 64 64 A M H < S+ 0 0 33 -4,-2.0 3,-0.4 1,-0.3 -2,-0.2 0.923 108.4 48.6 -58.0 -43.5 21.3 51.0 24.4 65 65 A A H < S+ 0 0 87 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.750 101.1 67.2 -72.2 -21.0 24.2 52.0 22.1 66 66 A S H < S- 0 0 28 -4,-1.2 -1,-0.2 -3,-0.5 4,-0.2 0.834 98.1-136.4 -74.1 -29.8 22.5 55.4 21.2 67 67 A G ><> - 0 0 17 -4,-1.2 5,-2.6 -3,-0.4 3,-1.4 0.027 22.2 -73.5 100.2 155.4 22.8 56.9 24.7 68 68 A L G > 5S+ 0 0 38 1,-0.3 3,-1.8 3,-0.2 -1,-0.2 0.800 126.8 59.4 -52.7 -42.1 20.7 58.9 27.2 69 69 A D G 3 5S+ 0 0 130 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.725 109.1 44.3 -63.3 -26.4 21.1 62.0 25.1 70 70 A K G X 5S- 0 0 107 -3,-1.4 3,-1.1 -4,-0.2 -1,-0.3 0.134 119.7-113.8 -99.1 17.6 19.4 60.1 22.3 71 71 A D T < 5 - 0 0 38 -3,-1.8 -3,-0.2 1,-0.2 42,-0.2 0.737 61.0 -73.3 55.3 28.7 16.8 58.7 24.8 72 72 A Y T 3 - 0 0 73 -2,-0.4 3,-1.4 -15,-0.3 -11,-0.1 -0.601 46.3-103.8 -67.2 130.8 18.6 54.7 17.5 75 75 A P T 3 S+ 0 0 70 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.329 97.6 1.2 -67.7 141.4 17.5 57.8 15.5 76 76 A D T 3 S- 0 0 165 1,-0.2 2,-0.6 2,-0.1 -2,-0.0 0.787 84.3-174.7 51.0 37.7 15.1 57.1 12.6 77 77 A D X - 0 0 11 -3,-1.4 3,-2.1 1,-0.2 -1,-0.2 -0.471 19.2-148.9 -65.3 114.3 15.0 53.4 13.5 78 78 A S T 3 S+ 0 0 111 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.675 93.1 58.0 -52.7 -28.5 13.0 51.7 10.7 79 79 A R T 3 S+ 0 0 53 -24,-0.1 2,-0.7 -28,-0.0 -27,-0.3 0.609 82.3 94.7 -83.2 -12.9 11.7 49.0 13.1 80 80 A V < - 0 0 24 -3,-2.1 -29,-0.2 1,-0.2 3,-0.1 -0.733 50.9-174.5 -87.3 117.6 10.1 51.4 15.5 81 81 A I S S- 0 0 36 -31,-2.7 2,-0.3 -2,-0.7 -1,-0.2 0.899 70.4 -20.6 -74.4 -42.0 6.4 51.8 14.7 82 82 A A E +E 50 0C 9 -32,-0.7 -32,-2.5 15,-0.1 -1,-0.4 -0.954 67.8 174.8-161.1 157.0 5.8 54.5 17.2 83 83 A H E -E 49 0C 83 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.1 -0.960 22.3-133.9-163.6 156.7 7.5 55.8 20.4 84 84 A T - 0 0 0 -36,-1.7 2,-0.2 -2,-0.3 11,-0.1 -0.373 40.2 -96.8 -96.8-178.4 7.4 58.4 23.2 85 85 A K - 0 0 116 -2,-0.1 2,-0.5 9,-0.1 -37,-0.2 -0.478 49.9 -87.1 -88.3 173.8 10.5 60.3 24.4 86 86 A L - 0 0 4 -2,-0.2 2,-0.4 -18,-0.1 -39,-0.2 -0.743 52.3-164.9 -87.2 122.2 12.3 59.1 27.6 87 87 A I B -H 46 0D 6 -41,-2.8 -41,-2.1 -2,-0.5 3,-0.1 -0.923 11.7-151.5-118.0 137.6 10.6 60.7 30.7 88 88 A G > - 0 0 3 -2,-0.4 3,-1.6 -43,-0.2 -53,-0.2 -0.190 51.6 -58.4 -84.7 178.8 11.7 61.0 34.3 89 89 A S T 3 S+ 0 0 29 -50,-1.9 -1,-0.2 1,-0.2 -48,-0.1 -0.322 123.9 30.4 -67.4 152.2 9.3 61.2 37.1 90 90 A G T 3 S+ 0 0 76 -55,-2.2 -1,-0.2 1,-0.3 2,-0.2 0.327 101.0 106.4 84.5 -7.3 6.8 64.0 37.1 91 91 A E < - 0 0 92 -3,-1.6 -56,-1.8 -56,-0.3 2,-0.3 -0.601 49.5-159.9-107.1 169.8 6.7 64.1 33.3 92 92 A K E +B 34 0A 109 -58,-0.2 2,-0.3 -2,-0.2 -58,-0.2 -0.946 10.8 172.4-138.8 148.0 4.2 63.0 30.6 93 93 A D E -B 33 0A 28 -60,-2.3 -60,-2.7 -2,-0.3 2,-0.3 -0.953 9.0-165.7-152.0 155.0 4.5 62.2 26.9 94 94 A S E -B 32 0A 46 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.889 3.7-159.8-136.8 164.0 2.0 60.8 24.4 95 95 A V E -B 31 0A 25 -64,-2.1 -64,-2.9 -2,-0.3 2,-0.4 -0.978 0.3-165.5-145.7 137.2 2.2 59.3 20.9 96 96 A T E +B 30 0A 67 -2,-0.3 2,-0.3 -66,-0.3 -66,-0.3 -0.985 16.5 175.4-118.6 131.9 -0.5 58.9 18.3 97 97 A F E -B 29 0A 8 -68,-2.6 -68,-2.4 -2,-0.4 2,-0.3 -0.954 35.2 -98.5-136.6 159.4 0.1 56.5 15.3 98 98 A D E > -B 28 0A 71 -2,-0.3 3,-1.6 -70,-0.2 -70,-0.3 -0.611 20.7-141.9 -81.0 134.2 -1.9 55.3 12.3 99 99 A V G > S+ 0 0 11 -72,-2.2 3,-1.5 -2,-0.3 -71,-0.2 0.640 92.6 80.4 -75.5 -7.4 -3.4 51.9 12.7 100 100 A S G 3 S+ 0 0 107 -73,-0.5 -1,-0.3 1,-0.3 -72,-0.1 0.631 80.1 69.6 -69.5 -14.1 -2.7 51.1 9.0 101 101 A K G < S+ 0 0 113 -3,-1.6 2,-0.3 -20,-0.0 -1,-0.3 0.451 91.6 70.9 -78.1 1.5 0.9 50.4 10.0 102 102 A L < - 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