==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT(COPPER BINDING) 23-JUN-93 4AZU . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR H.NAR,A.MESSERSCHMIDT,R.HUBER . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 63.7 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 . 30 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 14.6 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 0 114 0, 0.0 3,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-174.3 -10.5 53.7 26.9 2 2 A E T 3 - 0 0 177 1,-0.3 3,-0.0 27,-0.0 0, 0.0 -0.556 360.0 -27.4 -65.8 117.2 -11.8 54.2 23.3 3 3 A a T 3 S+ 0 0 44 -2,-0.4 27,-1.8 26,-0.1 2,-0.3 0.759 127.4 81.1 46.1 37.1 -8.7 53.8 20.9 4 4 A S E < -a 30 0A 30 -3,-1.0 2,-0.3 25,-0.2 27,-0.2 -0.981 55.8-162.9-163.1 153.6 -6.3 54.9 23.7 5 5 A V E -a 31 0A 31 25,-2.2 27,-2.8 -2,-0.3 2,-0.5 -0.965 12.8-143.9-140.0 150.6 -4.6 53.6 26.7 6 6 A D E -a 32 0A 105 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.965 25.6-178.5-115.3 132.4 -2.9 55.3 29.7 7 7 A I E -a 33 0A 0 25,-2.9 27,-2.0 -2,-0.5 2,-0.4 -0.979 13.3-151.2-137.4 147.0 0.2 53.5 31.0 8 8 A Q E -a 34 0A 90 -2,-0.4 8,-1.8 25,-0.2 2,-0.4 -0.948 4.8-161.0-123.3 144.0 2.5 54.2 33.8 9 9 A G B -C 15 0B 0 25,-2.2 6,-0.2 -2,-0.4 2,-0.1 -0.999 25.5-166.4-120.9 118.4 6.2 53.5 34.2 10 10 A N > - 0 0 26 4,-2.0 3,-1.0 -2,-0.4 4,-0.3 -0.337 36.4 -90.8-104.3-175.1 7.2 53.6 37.9 11 11 A D T 3 S+ 0 0 15 1,-0.3 363,-0.1 2,-0.1 26,-0.1 0.387 117.6 63.8 -77.8 3.6 10.4 53.7 40.0 12 12 A Q T 3 S- 0 0 89 2,-0.2 -1,-0.3 361,-0.1 25,-0.0 0.022 118.0-105.4-109.7 23.3 10.6 49.9 40.3 13 13 A M S < S+ 0 0 2 -3,-1.0 2,-0.4 1,-0.2 -2,-0.1 0.945 78.3 131.9 52.4 54.3 11.1 49.4 36.5 14 14 A Q - 0 0 17 -4,-0.3 -4,-2.0 107,-0.1 2,-0.3 -0.996 50.5-145.8-135.6 142.0 7.5 48.2 36.0 15 15 A F B -C 9 0B 12 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.757 24.0-129.5 -94.9 152.8 4.8 49.1 33.4 16 16 A N S S+ 0 0 55 -8,-1.8 2,-0.3 -2,-0.3 389,-0.1 0.654 90.6 37.1 -83.1 -13.2 1.3 48.9 34.9 17 17 A T - 0 0 41 -9,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.916 53.8-172.1-130.4 159.6 0.0 46.8 32.0 18 18 A N S S+ 0 0 24 -2,-0.3 106,-1.8 1,-0.3 2,-0.3 0.295 73.3 52.7-131.3 10.3 1.6 44.1 30.0 19 19 A A E -d 124 0C 49 104,-0.2 2,-0.4 384,-0.1 -1,-0.3 -0.961 58.9-171.2-148.6 126.5 -0.9 43.5 27.3 20 20 A I E -d 125 0C 6 104,-2.8 106,-2.7 -2,-0.3 2,-0.5 -0.973 5.7-161.6-119.4 133.5 -2.5 46.1 24.9 21 21 A T E -d 126 0C 75 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.959 2.7-165.5-113.8 126.6 -5.3 45.4 22.6 22 22 A V E -d 127 0C 0 104,-3.1 106,-2.7 -2,-0.5 2,-0.3 -0.966 18.7-134.2-112.5 128.7 -6.0 47.7 19.6 23 23 A D > - 0 0 73 -2,-0.5 3,-2.0 104,-0.2 76,-0.1 -0.662 11.5-130.4 -85.2 139.5 -9.4 47.3 17.9 24 24 A K T 3 S+ 0 0 110 104,-2.5 -1,-0.1 -2,-0.3 75,-0.0 0.776 103.6 69.4 -57.1 -30.6 -9.4 47.2 14.1 25 25 A S T 3 S+ 0 0 85 103,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.716 79.3 98.6 -63.5 -17.2 -12.2 49.9 14.0 26 26 A a < - 0 0 10 -3,-2.0 3,-0.1 1,-0.2 73,-0.1 -0.556 56.1-165.8 -75.2 128.6 -9.7 52.5 15.3 27 27 A K S S+ 0 0 172 -2,-0.3 72,-2.1 1,-0.2 73,-0.5 0.856 81.7 10.6 -70.9 -36.9 -8.2 54.7 12.6 28 28 A Q E - B 0 98A 103 70,-0.3 2,-0.4 71,-0.1 70,-0.2 -0.880 69.0-149.0-136.9 160.8 -5.5 55.8 15.1 29 29 A F E - B 0 97A 8 68,-2.0 68,-2.3 -2,-0.3 2,-0.4 -0.993 9.7-154.4-138.8 139.9 -4.5 54.6 18.6 30 30 A T E -aB 4 96A 29 -27,-1.8 -25,-2.2 -2,-0.4 2,-0.5 -0.952 4.2-163.6-118.1 135.1 -3.0 56.8 21.4 31 31 A V E -aB 5 95A 0 64,-2.6 64,-1.7 -2,-0.4 2,-0.6 -0.972 6.4-162.0-114.5 123.1 -0.7 55.8 24.2 32 32 A N E -aB 6 94A 37 -27,-2.8 -25,-2.9 -2,-0.5 2,-0.4 -0.932 11.9-165.9-109.2 113.2 -0.4 58.2 27.2 33 33 A L E +aB 7 93A 0 60,-3.1 60,-2.1 -2,-0.6 2,-0.3 -0.824 10.8 173.9-101.7 137.3 2.6 57.5 29.3 34 34 A S E -aB 8 92A 28 -27,-2.0 -25,-2.2 -2,-0.4 58,-0.2 -0.928 23.8-139.8-133.5 160.8 3.3 58.9 32.7 35 35 A H - 0 0 4 56,-1.2 55,-2.6 -2,-0.3 56,-0.2 -0.780 15.3-165.1-127.0 91.9 6.0 58.2 35.3 36 36 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.353 53.4 53.3 -58.9 147.9 4.8 58.1 38.9 37 37 A G S S- 0 0 38 -27,-0.1 -2,-0.1 1,-0.1 -27,-0.0 -0.749 85.5 -92.1 124.1-160.7 7.7 58.3 41.4 38 38 A N S S+ 0 0 144 -2,-0.3 -1,-0.1 51,-0.1 -28,-0.0 0.324 74.4 113.6-137.4 1.2 10.6 60.6 42.2 39 39 A L - 0 0 18 -3,-0.2 50,-1.9 5,-0.1 0, 0.0 -0.662 62.5-119.5 -87.0 141.5 13.6 59.3 40.3 40 40 A P >> - 0 0 61 0, 0.0 4,-2.7 0, 0.0 3,-1.1 -0.150 27.3 -99.4 -69.0 168.4 15.1 61.4 37.5 41 41 A K H 3> S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 46,-0.1 0.854 116.5 56.8 -58.3 -42.7 15.5 60.4 33.9 42 42 A N H 34 S+ 0 0 41 1,-0.2 -1,-0.2 2,-0.2 26,-0.0 0.722 118.5 34.1 -68.2 -17.3 19.2 59.4 33.9 43 43 A V H <4 S+ 0 0 3 -3,-1.1 -2,-0.2 259,-0.1 -1,-0.2 0.794 141.4 6.0-102.6 -41.5 18.5 56.8 36.7 44 44 A M H < S+ 0 0 0 -4,-2.7 -2,-0.2 2,-0.0 -3,-0.2 -0.181 79.3 159.3-139.6 39.7 15.0 55.5 35.9 45 45 A G < - 0 0 0 -4,-1.7 2,-0.3 -5,-0.1 43,-0.2 -0.377 18.4-167.5 -63.5 147.0 14.0 57.1 32.5 46 46 A H B +H 87 0D 0 41,-2.2 41,-3.1 -37,-0.1 2,-0.3 -0.987 13.5 174.4-135.4 146.1 11.2 55.2 30.6 47 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.3 67,-0.1 -0.862 30.0-126.0-136.6 167.0 9.8 55.5 27.1 48 48 A W - 0 0 0 -2,-0.3 36,-1.9 37,-0.2 2,-0.4 -0.999 32.3-179.0-117.2 120.2 7.2 53.3 25.4 49 49 A V E -EF 83 111C 0 62,-2.3 62,-2.2 -2,-0.5 2,-0.4 -0.966 11.0-157.8-123.0 136.8 8.5 51.9 22.1 50 50 A L E +EF 82 110C 0 32,-2.5 31,-2.4 -2,-0.4 32,-0.9 -0.978 27.0 139.8-117.2 131.7 6.5 49.6 19.7 51 51 A S E - F 0 109C 0 58,-1.9 58,-2.3 -2,-0.4 2,-0.1 -0.873 58.1 -77.2-147.7 178.4 8.1 47.2 17.1 52 52 A T E >> - F 0 108C 19 27,-0.4 4,-1.2 -2,-0.3 3,-0.7 -0.530 46.9-110.6 -74.4 162.5 7.3 43.7 15.9 53 53 A A T 34 S+ 0 0 3 54,-2.5 4,-0.4 1,-0.2 3,-0.4 0.893 119.4 57.6 -63.1 -34.0 8.4 41.0 18.3 54 54 A A T 34 S+ 0 0 44 53,-0.4 4,-0.3 1,-0.2 132,-0.3 0.836 109.6 43.0 -63.8 -32.8 11.1 40.0 15.7 55 55 A D T <> S+ 0 0 50 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.621 85.1 94.4 -91.0 -14.3 12.7 43.4 15.8 56 56 A M H X S+ 0 0 26 -4,-1.2 4,-2.7 -3,-0.4 5,-0.2 0.865 85.2 49.4 -46.6 -51.9 12.6 44.2 19.5 57 57 A Q H > S+ 0 0 11 -4,-0.4 4,-3.0 1,-0.2 5,-0.3 0.908 111.5 48.1 -59.2 -46.4 16.2 42.9 20.2 58 58 A G H > S+ 0 0 6 -4,-0.3 4,-2.3 -3,-0.2 5,-0.2 0.919 113.7 48.4 -58.8 -42.1 17.7 44.9 17.3 59 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 15,-0.3 0.921 114.2 46.4 -63.3 -43.9 15.9 48.0 18.5 60 60 A V H X S+ 0 0 12 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.933 113.0 47.4 -66.9 -51.1 17.0 47.5 22.1 61 61 A T H X S+ 0 0 36 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.958 117.6 42.3 -56.5 -50.8 20.7 46.8 21.3 62 62 A D H X S+ 0 0 32 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.2 0.801 111.4 55.4 -70.3 -26.8 21.0 49.8 19.0 63 63 A G H >X S+ 0 0 0 -4,-1.8 3,-1.5 -5,-0.2 4,-0.7 0.934 105.7 51.4 -67.7 -44.6 19.0 52.0 21.4 64 64 A M H >< S+ 0 0 33 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.908 109.0 53.0 -57.4 -42.5 21.5 51.3 24.2 65 65 A A H 3< S+ 0 0 85 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.623 95.1 71.2 -68.8 -16.6 24.2 52.2 21.9 66 66 A S H << S- 0 0 29 -3,-1.5 -1,-0.2 -4,-0.5 4,-0.2 0.742 96.9-130.1 -78.2 -21.9 22.6 55.6 21.0 67 67 A G X<> - 0 0 19 -3,-0.8 5,-2.4 -4,-0.7 3,-0.7 -0.078 24.4 -75.1 99.2 164.2 23.3 57.3 24.4 68 68 A L G > 5S+ 0 0 49 1,-0.3 3,-2.1 3,-0.2 -1,-0.1 0.888 127.2 58.1 -67.4 -40.4 21.3 59.3 27.0 69 69 A D G 3 5S+ 0 0 128 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.710 106.4 49.9 -64.4 -21.9 21.2 62.4 24.9 70 70 A K G X 5S- 0 0 106 -3,-0.7 3,-1.3 -4,-0.2 -1,-0.3 0.170 117.0-114.5 -98.4 17.1 19.5 60.3 22.1 71 71 A D T < 5 - 0 0 41 -3,-2.1 -3,-0.2 1,-0.3 42,-0.2 0.784 59.9 -76.4 54.9 30.3 16.9 58.9 24.6 72 72 A Y T 3 - 0 0 77 -2,-0.3 3,-1.3 -15,-0.3 -11,-0.1 -0.484 45.6-108.2 -64.4 125.8 18.6 55.0 17.3 75 75 A P T 3 S+ 0 0 67 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.343 97.8 3.4 -62.8 136.8 17.3 58.1 15.4 76 76 A D T 3 S- 0 0 163 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.836 84.4-179.9 55.9 35.8 15.0 57.3 12.5 77 77 A D X - 0 0 12 -3,-1.3 3,-1.2 1,-0.2 -1,-0.2 -0.583 20.9-149.7 -66.6 123.1 15.2 53.6 13.4 78 78 A S T 3 S+ 0 0 117 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.628 90.0 62.2 -74.2 -18.4 12.9 52.0 10.7 79 79 A R T 3 S+ 0 0 52 -24,-0.1 2,-0.7 -28,-0.0 -27,-0.4 0.573 81.3 93.2 -83.2 -12.1 11.8 49.2 12.9 80 80 A V < - 0 0 23 -3,-1.2 -29,-0.2 1,-0.2 3,-0.1 -0.756 51.2-174.7 -87.3 118.1 10.1 51.5 15.5 81 81 A I S S- 0 0 35 -31,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.879 71.2 -16.0 -77.6 -40.8 6.4 51.9 14.6 82 82 A A E +E 50 0C 9 -32,-0.9 -32,-2.5 15,-0.1 -1,-0.3 -0.970 68.1 170.3-159.4 154.8 5.8 54.5 17.3 83 83 A H E -E 49 0C 89 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.976 23.1-132.6-162.1 157.7 7.5 55.7 20.5 84 84 A T - 0 0 2 -36,-1.9 2,-0.1 -2,-0.3 11,-0.1 -0.459 40.1 -93.4 -97.8 178.7 7.5 58.4 23.2 85 85 A K - 0 0 110 -2,-0.2 2,-0.5 9,-0.1 -37,-0.2 -0.393 52.0 -90.4 -74.1 171.4 10.4 60.4 24.4 86 86 A L - 0 0 3 -39,-0.1 2,-0.4 -2,-0.1 -39,-0.3 -0.766 52.8-163.5 -89.1 124.7 12.3 59.1 27.5 87 87 A I B -H 46 0D 8 -41,-3.1 -41,-2.2 -2,-0.5 2,-0.1 -0.896 14.3-150.8-119.5 145.9 10.7 60.6 30.6 88 88 A G > - 0 0 3 -2,-0.4 3,-1.6 -43,-0.2 -53,-0.2 -0.349 52.4 -55.1 -92.5-179.6 11.7 60.9 34.2 89 89 A S T 3 S+ 0 0 30 -50,-1.9 -1,-0.2 1,-0.3 -48,-0.1 -0.298 123.7 21.6 -65.3 149.1 9.4 61.1 37.1 90 90 A G T 3 S+ 0 0 75 -55,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.388 101.8 109.9 77.6 -2.7 6.6 63.6 37.1 91 91 A E < - 0 0 95 -3,-1.6 -56,-1.2 -56,-0.2 2,-0.3 -0.525 50.1-155.8-102.6 167.9 6.8 64.0 33.3 92 92 A K E +B 34 0A 110 -58,-0.2 2,-0.3 -2,-0.2 -58,-0.2 -0.991 14.1 170.3-141.6 147.4 4.3 62.9 30.6 93 93 A D E -B 33 0A 29 -60,-2.1 -60,-3.1 -2,-0.3 2,-0.3 -0.972 8.4-167.1-155.6 150.4 4.3 62.0 26.9 94 94 A S E -B 32 0A 51 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.871 4.2-159.0-130.9 162.6 1.9 60.5 24.4 95 95 A V E -B 31 0A 25 -64,-1.7 -64,-2.6 -2,-0.3 2,-0.4 -0.988 0.8-164.3-144.1 138.3 2.0 59.1 20.9 96 96 A T E +B 30 0A 70 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.997 17.7 175.3-116.9 127.5 -0.7 58.7 18.3 97 97 A F E -B 29 0A 6 -68,-2.3 -68,-2.0 -2,-0.4 2,-0.3 -0.940 35.6 -98.1-131.5 157.2 0.0 56.3 15.4 98 98 A D E > -B 28 0A 78 -2,-0.3 3,-1.6 -70,-0.2 -70,-0.3 -0.582 20.5-141.6 -77.4 133.4 -2.1 55.0 12.5 99 99 A V G > S+ 0 0 11 -72,-2.1 3,-1.8 -2,-0.3 -71,-0.1 0.709 94.5 76.9 -71.2 -14.2 -3.5 51.6 12.9 100 100 A S G 3 S+ 0 0 105 -73,-0.5 -1,-0.3 1,-0.3 -72,-0.1 0.687 81.4 70.7 -67.1 -17.8 -2.8 50.8 9.2 101 101 A K G < S+ 0 0 117 -3,-1.6 2,-0.4 2,-0.0 -1,-0.3 0.539 88.7 75.2 -74.1 -6.3 0.8 50.4 10.2 102 102 A L S < S- 0 0 13 -3,-1.8 2,-0.3 -4,-0.1 24,-0.0 -0.849 72.2-150.3-107.4 150.2 -0.2 47.2 12.0 103 103 A K > - 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