==== 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 5AZU . 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) . 21430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 62.7 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 . 28 5.5 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 . 55 10.7 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 1 0 2 0 0 1 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 0 104 0, 0.0 3,-2.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-146.0 -9.9 53.9 26.8 2 2 A E T 3 - 0 0 178 1,-0.3 3,-0.1 27,-0.0 0, 0.0 -0.305 360.0 -24.2 -51.7 112.4 -11.5 54.3 23.3 3 3 A a T 3 S+ 0 0 40 -2,-0.1 27,-2.0 1,-0.1 2,-0.3 0.742 131.7 76.6 53.0 27.9 -8.6 54.0 20.8 4 4 A S E < -a 30 0A 30 -3,-2.1 2,-0.3 25,-0.2 27,-0.2 -0.988 59.6-158.8-155.9 157.5 -6.1 55.2 23.6 5 5 A V E -a 31 0A 29 25,-2.3 27,-2.7 -2,-0.3 2,-0.5 -0.989 11.8-143.0-141.8 147.2 -4.4 53.7 26.7 6 6 A D E +a 32 0A 104 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.950 27.6 177.8-109.1 129.9 -2.9 55.4 29.7 7 7 A I E -a 33 0A 0 25,-2.9 27,-1.7 -2,-0.5 2,-0.4 -0.981 14.4-153.3-136.1 147.9 0.2 53.7 31.0 8 8 A Q E -a 34 0A 86 -2,-0.3 8,-1.9 25,-0.2 2,-0.4 -0.948 4.5-159.5-124.6 143.8 2.6 54.4 33.8 9 9 A G B -C 15 0B 0 25,-2.1 28,-0.4 -2,-0.4 6,-0.2 -0.993 24.7-166.3-117.5 125.2 6.3 53.5 34.2 10 10 A N > - 0 0 28 4,-2.1 3,-1.6 -2,-0.4 4,-0.3 -0.486 37.1 -92.2-109.7-177.4 7.5 53.6 37.9 11 11 A D T 3 S+ 0 0 15 1,-0.3 363,-0.1 -2,-0.1 34,-0.0 0.473 119.1 63.2 -71.3 -2.9 10.7 53.7 40.0 12 12 A Q T 3 S- 0 0 89 2,-0.2 -1,-0.3 361,-0.1 3,-0.1 0.157 117.5-109.1-104.5 13.6 10.6 49.9 40.3 13 13 A M S < S+ 0 0 1 -3,-1.6 2,-0.4 1,-0.2 -2,-0.1 0.947 76.1 131.9 57.1 52.3 11.0 49.5 36.5 14 14 A Q - 0 0 16 -4,-0.3 -4,-2.1 107,-0.1 2,-0.3 -0.989 50.6-145.4-132.9 139.9 7.5 48.3 36.0 15 15 A F B -C 9 0B 12 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.780 26.2-125.8 -90.5 152.7 4.8 49.3 33.4 16 16 A N S S+ 0 0 58 -8,-1.9 2,-0.3 -2,-0.3 389,-0.1 0.410 92.2 37.3 -82.9 5.4 1.3 49.2 34.9 17 17 A T - 0 0 44 -9,-0.3 -2,-0.1 387,-0.1 3,-0.1 -0.985 52.2-170.9-147.8 156.1 0.1 46.9 32.0 18 18 A N S S+ 0 0 25 -2,-0.3 106,-2.0 1,-0.3 2,-0.4 0.322 75.5 50.6-127.5 5.0 1.7 44.1 30.0 19 19 A A E -d 124 0C 48 104,-0.2 2,-0.4 384,-0.1 -1,-0.3 -0.973 57.9-173.9-149.4 125.3 -0.9 43.7 27.3 20 20 A I E -d 125 0C 7 104,-2.7 106,-2.5 -2,-0.4 2,-0.4 -0.981 6.8-161.6-119.1 133.6 -2.4 46.3 25.0 21 21 A T E -d 126 0C 74 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.943 2.9-161.3-112.4 137.7 -5.2 45.5 22.6 22 22 A V E -d 127 0C 0 104,-3.2 106,-2.5 -2,-0.4 2,-0.4 -0.969 19.4-129.4-117.0 130.7 -5.9 47.9 19.7 23 23 A D > - 0 0 78 -2,-0.5 3,-2.2 104,-0.2 76,-0.1 -0.697 11.3-132.5 -81.8 134.6 -9.3 47.6 18.0 24 24 A K T 3 S+ 0 0 113 104,-2.6 -1,-0.1 -2,-0.4 103,-0.0 0.732 103.3 64.7 -57.6 -27.5 -9.3 47.3 14.2 25 25 A S T 3 S+ 0 0 76 103,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.582 78.4 101.4 -76.7 -4.5 -11.9 50.0 13.9 26 26 A a < - 0 0 9 -3,-2.2 3,-0.1 1,-0.2 73,-0.1 -0.631 58.6-160.7 -77.2 128.4 -9.6 52.7 15.4 27 27 A K S S+ 0 0 171 -2,-0.4 72,-1.8 1,-0.2 73,-0.5 0.823 82.0 4.8 -72.0 -32.5 -8.1 54.8 12.6 28 28 A Q E - B 0 98A 103 70,-0.3 2,-0.4 71,-0.2 -1,-0.2 -0.941 69.1-143.7-145.5 164.4 -5.4 55.7 15.1 29 29 A F E - B 0 97A 7 68,-2.2 68,-2.5 -2,-0.3 2,-0.4 -0.996 9.8-153.2-136.4 139.3 -4.4 54.8 18.6 30 30 A T E -aB 4 96A 29 -27,-2.0 -25,-2.3 -2,-0.4 2,-0.5 -0.940 2.9-163.5-116.6 134.3 -2.9 57.0 21.4 31 31 A V E -aB 5 95A 0 64,-2.8 64,-1.7 -2,-0.4 2,-0.6 -0.972 6.2-162.3-114.5 126.5 -0.6 55.9 24.3 32 32 A N E -aB 6 94A 33 -27,-2.7 -25,-2.9 -2,-0.5 2,-0.4 -0.949 11.6-167.9-112.9 108.7 -0.3 58.4 27.2 33 33 A L E +aB 7 93A 0 60,-3.0 60,-2.2 -2,-0.6 2,-0.3 -0.834 8.9 175.0 -97.9 134.8 2.8 57.6 29.3 34 34 A S E -aB 8 92A 34 -27,-1.7 -25,-2.1 -2,-0.4 58,-0.2 -0.941 26.2-139.1-134.9 161.3 3.4 59.1 32.7 35 35 A H - 0 0 3 56,-1.9 55,-2.3 -2,-0.3 56,-0.2 -0.821 15.6-178.6-123.0 96.9 6.1 58.6 35.3 36 36 A P + 0 0 75 0, 0.0 -26,-0.1 0, 0.0 2,-0.1 0.169 54.4 100.3 -78.5 21.3 4.5 58.6 38.8 37 37 A G S S- 0 0 8 -28,-0.4 53,-0.5 2,-0.1 -2,-0.1 -0.333 72.0-133.2-101.9-173.9 8.0 58.1 40.4 38 38 A N S S+ 0 0 140 51,-0.2 -1,-0.1 -2,-0.1 51,-0.0 0.426 71.4 102.3-116.1 -5.8 10.5 60.4 42.1 39 39 A L S S- 0 0 20 5,-0.1 50,-1.7 1,-0.1 -2,-0.1 -0.578 71.7-114.7 -85.0 142.4 13.7 59.3 40.3 40 40 A P >> - 0 0 62 0, 0.0 4,-2.9 0, 0.0 3,-1.3 -0.242 27.9-101.4 -69.0 163.3 15.2 61.4 37.5 41 41 A K H 3> S+ 0 0 80 1,-0.3 4,-1.5 2,-0.2 46,-0.1 0.847 117.1 56.8 -54.4 -42.4 15.5 60.4 33.8 42 42 A N H 34 S+ 0 0 43 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.773 119.1 33.6 -67.5 -17.3 19.3 59.5 34.0 43 43 A V H <4 S+ 0 0 3 -3,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.813 142.1 5.4-101.9 -42.5 18.6 56.9 36.7 44 44 A M H < S+ 0 0 0 -4,-2.9 -2,-0.2 2,-0.0 -3,-0.2 -0.259 79.0 161.6-142.9 43.2 15.1 55.6 35.9 45 45 A G < - 0 0 0 -4,-1.5 2,-0.3 -5,-0.1 43,-0.2 -0.460 17.3-166.6 -67.7 145.6 14.1 57.1 32.5 46 46 A H B +H 87 0D 1 41,-2.4 41,-2.7 -2,-0.1 2,-0.3 -0.978 13.6 172.0-134.1 144.9 11.2 55.3 30.7 47 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.2 67,-0.1 -0.875 29.9-126.4-138.6 167.9 9.8 55.5 27.2 48 48 A W + 0 0 0 -2,-0.3 36,-2.0 37,-0.2 2,-0.4 -0.999 32.2 177.6-120.7 122.2 7.3 53.4 25.3 49 49 A V E -EF 83 111C 0 62,-2.0 62,-2.0 -2,-0.5 2,-0.4 -0.981 12.0-157.5-129.1 137.0 8.6 52.0 22.1 50 50 A L E +EF 82 110C 0 32,-2.5 31,-2.0 -2,-0.4 32,-1.0 -0.971 26.2 139.7-120.6 134.6 6.7 49.7 19.7 51 51 A S E - F 0 109C 0 58,-2.0 58,-2.5 -2,-0.4 29,-0.1 -0.889 58.2 -74.2-150.1 176.8 8.1 47.3 17.1 52 52 A T E > - F 0 108C 17 27,-0.4 4,-1.1 -2,-0.3 56,-0.3 -0.454 47.2-112.4 -69.2 161.0 7.4 43.8 15.9 53 53 A A T 4 S+ 0 0 3 54,-2.6 4,-0.5 1,-0.2 3,-0.5 0.891 118.9 59.3 -61.8 -35.6 8.5 41.1 18.4 54 54 A A T 4 S+ 0 0 45 53,-0.4 132,-0.3 1,-0.2 4,-0.3 0.885 109.4 39.9 -59.0 -42.6 11.1 40.1 15.8 55 55 A D T > S+ 0 0 51 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.520 86.7 95.5 -87.6 -10.2 12.8 43.5 15.8 56 56 A M H X S+ 0 0 27 -4,-1.1 4,-2.7 -3,-0.5 5,-0.2 0.916 83.5 50.7 -49.9 -49.0 12.7 44.3 19.5 57 57 A Q H > S+ 0 0 14 -4,-0.5 4,-2.9 -3,-0.3 5,-0.2 0.902 110.8 48.1 -60.5 -43.1 16.2 43.0 20.2 58 58 A G H > S+ 0 0 5 -4,-0.3 4,-2.5 2,-0.2 5,-0.3 0.925 112.6 49.4 -61.0 -43.0 17.8 45.0 17.4 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 15,-0.3 0.940 113.3 46.1 -62.5 -46.4 15.9 48.1 18.6 60 60 A V H X S+ 0 0 8 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.938 114.2 46.9 -61.3 -51.9 17.0 47.6 22.3 61 61 A T H X S+ 0 0 35 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.949 117.8 41.7 -58.2 -49.5 20.8 46.9 21.4 62 62 A D H < S+ 0 0 34 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.845 112.4 55.8 -69.4 -28.5 21.0 49.9 19.0 63 63 A G H >X S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.3 4,-0.7 0.932 104.2 53.1 -64.3 -46.3 19.1 52.0 21.4 64 64 A M H >< S+ 0 0 26 -4,-2.4 3,-0.8 1,-0.3 -2,-0.2 0.903 108.7 50.3 -56.1 -43.4 21.5 51.3 24.2 65 65 A A T 3< S+ 0 0 86 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.520 95.1 73.3 -76.5 -7.7 24.4 52.4 22.0 66 66 A S T <4 S- 0 0 26 -3,-1.8 -1,-0.2 -4,-0.3 4,-0.2 0.754 96.6-130.7 -79.7 -25.5 22.7 55.7 21.0 67 67 A G X<> - 0 0 19 -3,-0.8 5,-2.3 -4,-0.7 3,-0.7 -0.109 23.4 -73.2 101.7 166.2 23.3 57.4 24.4 68 68 A L G > 5S+ 0 0 49 1,-0.3 3,-2.1 3,-0.2 -1,-0.1 0.907 127.7 58.2 -67.3 -41.7 21.3 59.4 27.0 69 69 A D G 3 5S+ 0 0 128 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.725 106.7 49.1 -60.1 -24.4 21.1 62.4 24.7 70 70 A K G X 5S- 0 0 100 -3,-0.7 3,-1.3 -4,-0.2 -1,-0.3 0.159 116.9-113.8 -98.2 15.4 19.5 60.3 22.0 71 71 A D T < 5 - 0 0 39 -3,-2.1 -3,-0.2 1,-0.3 42,-0.2 0.795 61.6 -75.6 55.5 31.9 16.9 58.9 24.5 72 72 A Y T 3 - 0 0 79 -2,-0.3 3,-1.4 -15,-0.3 -11,-0.1 -0.460 46.1-104.6 -64.4 127.8 18.6 55.0 17.3 75 75 A P T 3 S- 0 0 71 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.359 98.7 -2.2 -57.4 129.6 17.7 58.2 15.4 76 76 A D T 3 S- 0 0 169 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.827 84.4-174.9 54.5 39.7 15.2 57.4 12.6 77 77 A D X - 0 0 11 -3,-1.4 3,-1.3 1,-0.2 -1,-0.2 -0.523 18.8-149.2 -66.9 119.4 15.2 53.7 13.4 78 78 A S T 3 S+ 0 0 116 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.694 91.2 61.8 -65.9 -25.0 13.1 52.1 10.7 79 79 A R T 3 S+ 0 0 52 -24,-0.1 2,-0.8 -28,-0.0 -27,-0.4 0.654 81.0 93.8 -76.8 -17.0 11.9 49.3 12.9 80 80 A V < - 0 0 24 -3,-1.3 -29,-0.2 1,-0.2 3,-0.1 -0.710 50.5-174.8 -85.9 116.2 10.2 51.6 15.4 81 81 A I S S- 0 0 34 -31,-2.0 2,-0.3 -2,-0.8 -1,-0.2 0.844 70.9 -14.6 -75.1 -39.6 6.5 51.9 14.6 82 82 A A E +E 50 0C 8 -32,-1.0 -32,-2.5 15,-0.1 2,-0.3 -0.969 68.2 171.7-162.6 150.4 5.8 54.5 17.3 83 83 A H E -E 49 0C 90 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.988 22.5-135.4-157.8 159.4 7.6 55.8 20.4 84 84 A T - 0 0 1 -36,-2.0 2,-0.1 -2,-0.3 11,-0.1 -0.532 39.7 -95.4-101.1 176.5 7.6 58.5 23.1 85 85 A K - 0 0 112 -2,-0.2 2,-0.4 9,-0.1 -37,-0.2 -0.413 50.7 -90.1 -76.0 170.5 10.5 60.5 24.4 86 86 A L - 0 0 4 -39,-0.1 2,-0.3 -2,-0.1 -39,-0.2 -0.733 53.3-167.8 -87.5 126.7 12.4 59.2 27.5 87 87 A I B -H 46 0D 7 -41,-2.7 -41,-2.4 -2,-0.4 2,-0.1 -0.882 11.0-160.2-122.6 156.0 10.8 60.8 30.6 88 88 A G > - 0 0 1 -2,-0.3 3,-2.1 1,-0.3 -53,-0.2 -0.378 50.9 -26.2-115.9-173.8 11.7 61.0 34.2 89 89 A S T 3 S+ 0 0 44 -50,-1.7 -1,-0.3 1,-0.3 -51,-0.2 -0.117 127.3 4.1 -38.6 128.6 9.9 61.7 37.5 90 90 A G T 3 S+ 0 0 68 -55,-2.3 -1,-0.3 -53,-0.5 2,-0.1 0.426 102.6 124.9 73.3 3.0 6.7 63.7 37.2 91 91 A E < - 0 0 92 -3,-2.1 -56,-1.9 -56,-0.2 2,-0.3 -0.377 40.0-161.2 -95.6 173.1 6.8 63.9 33.3 92 92 A K E +B 34 0A 112 -58,-0.2 2,-0.3 -2,-0.1 -58,-0.2 -0.994 10.9 170.4-150.4 144.4 4.4 62.9 30.6 93 93 A D E -B 33 0A 28 -60,-2.2 -60,-3.0 -2,-0.3 2,-0.3 -0.977 10.7-160.1-158.1 152.9 4.4 62.2 26.9 94 94 A S E -B 32 0A 51 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.885 2.6-164.6-131.8 154.7 1.9 60.8 24.3 95 95 A V E -B 31 0A 23 -64,-1.7 -64,-2.8 -2,-0.3 2,-0.4 -0.988 1.9-166.0-142.3 134.6 2.1 59.2 20.9 96 96 A T E -B 30 0A 71 -2,-0.4 2,-0.3 -66,-0.3 -66,-0.2 -0.990 17.3-179.9-114.4 130.2 -0.6 58.8 18.4 97 97 A F E -B 29 0A 8 -68,-2.5 -68,-2.2 -2,-0.4 2,-0.4 -0.934 33.2 -99.2-131.2 157.9 0.0 56.4 15.5 98 98 A D E > -B 28 0A 79 -2,-0.3 3,-1.8 -70,-0.2 -70,-0.3 -0.611 20.3-145.5 -75.2 127.1 -1.9 55.1 12.5 99 99 A V G > S+ 0 0 13 -72,-1.8 3,-1.8 -2,-0.4 -71,-0.2 0.705 93.6 76.4 -69.5 -14.6 -3.4 51.7 13.0 100 100 A S G 3 S+ 0 0 100 -73,-0.5 -1,-0.3 1,-0.3 -72,-0.1 0.675 82.2 69.5 -66.7 -17.2 -2.8 51.0 9.2 101 101 A K G < S+ 0 0 128 -3,-1.8 2,-0.4 -20,-0.0 -1,-0.3 0.546 91.1 71.6 -75.7 -5.7 0.9 50.5 10.2 102 102 A L < - 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