==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER(CUPROPROTEIN) 11-JAN-91 3AZU . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.MESSERSCHMIDT,H.NAR,R.HUBER . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 64.6 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 . 101 19.7 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 . 38 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 10.0 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 2 1 1 0 0 0 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 . 7 5 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 . 1 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 0 115 0, 0.0 3,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 176.6 34.6 -2.4 -2.6 2 2 A Q T 3 - 0 0 128 1,-0.2 21,-0.6 27,-0.0 24,-0.1 -0.514 360.0 -16.2 55.8-116.3 38.1 -3.9 -2.7 3 3 A a T 3 S+ 0 0 33 -2,-0.3 27,-2.4 19,-0.1 2,-0.3 0.249 125.8 59.0-106.5 21.2 39.9 -1.7 -5.3 4 4 A S E < -a 30 0A 53 -3,-1.2 2,-0.3 25,-0.2 27,-0.2 -0.986 52.3-171.7-142.2 151.9 37.1 0.0 -7.2 5 5 A V E -a 31 0A 31 25,-1.7 27,-2.2 -2,-0.3 2,-0.4 -0.948 12.6-147.5-137.9 154.0 34.2 2.3 -6.4 6 6 A D E -a 32 0A 99 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.992 22.0-179.5-121.5 134.5 31.2 3.5 -8.5 7 7 A I E -a 33 0A 0 25,-2.9 27,-1.9 -2,-0.4 2,-0.4 -0.978 14.3-155.8-143.7 145.6 29.8 7.0 -7.9 8 8 A Q E -a 34 0A 85 -2,-0.3 8,-1.8 25,-0.2 2,-0.4 -0.994 2.4-159.8-126.2 130.4 27.0 9.1 -9.3 9 9 A G B -C 15 0B 0 25,-1.6 28,-0.5 -2,-0.4 6,-0.2 -0.833 23.1-159.1-100.3 141.7 26.6 12.9 -9.3 10 10 A N > - 0 0 28 4,-1.7 3,-1.9 -2,-0.4 4,-0.4 -0.709 33.3 -95.1-121.0 176.4 23.0 14.0 -9.9 11 11 A D T 3 S+ 0 0 28 1,-0.3 -1,-0.0 -2,-0.2 24,-0.0 0.565 119.3 63.8 -70.8 -4.7 21.1 17.1 -11.0 12 12 A Q T 3 S- 0 0 87 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.276 118.9-109.6 -98.4 13.1 20.7 18.3 -7.4 13 13 A M S < S+ 0 0 1 -3,-1.9 2,-0.4 1,-0.2 -2,-0.2 0.925 75.8 130.8 62.1 49.3 24.5 18.6 -7.2 14 14 A Q - 0 0 21 -4,-0.4 -4,-1.7 107,-0.1 2,-0.3 -0.987 51.2-141.8-131.8 137.3 25.0 15.7 -4.9 15 15 A F B -C 9 0B 9 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.705 25.8-124.0 -87.0 154.4 27.4 12.7 -5.1 16 16 A N S S+ 0 0 64 -8,-1.8 2,-0.3 -2,-0.3 389,-0.1 0.427 91.9 43.1 -82.1 6.6 25.9 9.5 -3.9 17 17 A T - 0 0 39 -9,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.993 52.9-166.1-148.5 151.2 28.7 8.9 -1.3 18 18 A N S S+ 0 0 23 -2,-0.3 106,-2.1 1,-0.2 2,-0.3 0.399 77.2 38.0-111.1 -7.0 30.4 11.1 1.1 19 19 A A E -d 124 0C 54 104,-0.2 2,-0.4 384,-0.1 -1,-0.2 -0.986 52.7-171.0-155.2 137.1 33.4 8.8 2.0 20 20 A I E -d 125 0C 5 104,-2.3 106,-2.4 -2,-0.3 2,-0.4 -0.995 10.0-159.3-128.7 131.9 35.6 6.4 0.2 21 21 A T E -d 126 0C 83 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.901 8.5-152.9-107.6 137.4 38.0 4.1 2.0 22 22 A V E -d 127 0C 0 104,-3.0 106,-2.6 -2,-0.4 2,-0.3 -0.973 18.8-127.3-116.8 115.7 40.9 2.7 -0.0 23 23 A D > - 0 0 67 -2,-0.6 3,-2.7 -21,-0.6 104,-0.1 -0.458 16.2-133.3 -59.5 122.4 42.3 -0.6 1.2 24 24 A K T 3 S+ 0 0 129 1,-0.3 -1,-0.2 -2,-0.3 103,-0.0 0.628 102.8 65.9 -56.3 -14.5 46.1 -0.1 1.7 25 25 A S T 3 S+ 0 0 85 103,-0.2 -1,-0.3 -23,-0.0 2,-0.2 0.565 75.9 105.2 -82.4 -10.8 46.6 -3.4 -0.2 26 26 A a < - 0 0 6 -3,-2.7 3,-0.1 1,-0.2 -4,-0.0 -0.527 56.0-161.8 -70.2 133.2 45.2 -2.0 -3.5 27 27 A K S S+ 0 0 173 1,-0.3 72,-2.1 -2,-0.2 73,-0.5 0.846 80.9 6.2 -78.6 -43.2 48.1 -1.3 -5.9 28 28 A Q E S- B 0 98A 83 70,-0.3 2,-0.4 71,-0.1 -1,-0.3 -0.874 74.3-146.9-132.3 159.9 45.9 1.0 -8.0 29 29 A F E - B 0 97A 4 68,-2.1 68,-2.6 -2,-0.3 2,-0.4 -0.998 7.6-152.1-135.8 132.9 42.3 2.2 -7.2 30 30 A T E -aB 4 96A 34 -27,-2.4 -25,-1.7 -2,-0.4 2,-0.5 -0.859 4.6-165.0-105.7 140.8 39.6 2.9 -9.8 31 31 A V E -aB 5 95A 0 64,-2.4 64,-1.6 -2,-0.4 2,-0.7 -0.992 8.1-159.0-119.4 126.5 36.8 5.4 -9.4 32 32 A N E -aB 6 94A 37 -27,-2.2 -25,-2.9 -2,-0.5 2,-0.4 -0.923 11.5-167.8-113.3 106.8 33.9 5.0 -11.9 33 33 A L E +aB 7 93A 1 60,-2.7 60,-2.3 -2,-0.7 2,-0.3 -0.767 7.7 177.8 -94.9 137.5 31.9 8.2 -12.2 34 34 A S E -aB 8 92A 25 -27,-1.9 -25,-1.6 -2,-0.4 58,-0.2 -0.978 24.1-146.8-140.4 153.5 28.6 8.4 -14.0 35 35 A Q + 0 0 2 56,-2.1 55,-1.6 -2,-0.3 -25,-0.1 -0.885 17.0 176.2-120.8 91.4 26.1 11.2 -14.6 36 36 A P + 0 0 78 0, 0.0 -26,-0.1 0, 0.0 -1,-0.1 0.567 51.9 98.3 -74.0 -10.7 22.5 9.6 -14.6 37 37 A G S S- 0 0 10 -28,-0.5 53,-0.7 2,-0.1 -2,-0.1 0.110 76.4-123.2 -71.2-172.8 20.9 13.0 -14.9 38 38 A N S S+ 0 0 139 51,-0.2 -1,-0.1 2,-0.1 -28,-0.0 0.498 72.8 103.6-111.3 -12.4 19.5 15.0 -17.9 39 39 A L - 0 0 17 5,-0.1 50,-1.9 1,-0.1 -2,-0.1 -0.545 69.9-118.9 -84.6 140.1 21.5 18.2 -17.7 40 40 A P >> - 0 0 57 0, 0.0 4,-1.9 0, 0.0 3,-1.3 -0.225 29.5-104.5 -67.5 165.6 24.4 18.9 -20.1 41 41 A K H 3> S+ 0 0 68 1,-0.3 4,-2.4 2,-0.2 46,-0.1 0.875 117.6 58.3 -69.2 -31.4 27.9 19.5 -18.8 42 42 A N H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 26,-0.0 0.724 116.7 35.3 -67.6 -17.4 28.0 23.2 -19.3 43 43 A V H <4 S- 0 0 5 -3,-1.3 -1,-0.2 259,-0.1 -2,-0.2 0.665 145.5 -2.5-104.9 -22.2 24.9 23.5 -17.0 44 44 A M H < S+ 0 0 0 -4,-1.9 -2,-0.2 -3,-0.1 -3,-0.2 -0.009 79.3 162.0-163.9 34.5 25.7 20.8 -14.5 45 45 A G < - 0 0 0 -4,-2.4 2,-0.4 -5,-0.1 43,-0.2 -0.351 18.9-162.2 -65.3 146.5 28.9 18.9 -15.4 46 46 A H B +H 87 0D 1 41,-2.2 41,-2.4 -37,-0.1 2,-0.3 -0.985 14.2 175.3-133.2 143.2 30.5 16.9 -12.7 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.2 39,-0.1 -0.836 29.0-125.9-130.6 168.3 34.0 15.5 -12.3 48 48 A W + 0 0 0 -2,-0.3 36,-2.2 37,-0.2 2,-0.3 -0.991 32.4 179.6-118.2 125.4 35.6 13.7 -9.4 49 49 A V E -EF 83 111C 0 62,-1.7 62,-1.6 -2,-0.5 2,-0.4 -0.967 12.4-154.4-129.0 149.1 38.8 15.3 -8.2 50 50 A L E +EF 82 110C 0 32,-1.8 31,-2.9 -2,-0.3 32,-0.9 -0.990 26.4 142.3-130.2 127.2 41.1 14.3 -5.4 51 51 A S E - F 0 109C 0 58,-1.9 58,-2.4 -2,-0.4 2,-0.1 -0.873 56.0 -79.3-146.2 176.7 43.5 16.4 -3.4 52 52 A T E >> - F 0 108C 21 27,-0.4 4,-1.4 -2,-0.3 3,-1.0 -0.512 48.6-108.3 -74.6 157.1 44.6 16.6 0.3 53 53 A A T 34 S+ 0 0 15 54,-2.3 4,-0.4 1,-0.2 133,-0.1 0.866 120.1 55.8 -55.7 -28.7 42.1 18.4 2.5 54 54 A A T 34 S+ 0 0 32 53,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.812 109.8 42.3 -74.8 -26.6 44.6 21.3 2.7 55 55 A D T X> S+ 0 0 57 -3,-1.0 4,-2.3 1,-0.2 3,-0.6 0.625 85.7 93.1 -98.4 -15.2 44.9 21.8 -1.1 56 56 A M H 3X S+ 0 0 19 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.832 84.1 51.6 -44.4 -50.4 41.3 21.5 -2.1 57 57 A Q H 3> S+ 0 0 26 -4,-0.4 4,-2.2 125,-0.2 -1,-0.2 0.845 110.8 47.9 -64.0 -35.6 40.5 25.3 -1.9 58 58 A G H <> S+ 0 0 6 -3,-0.6 4,-2.6 -4,-0.2 5,-0.3 0.925 113.6 48.4 -65.4 -44.9 43.4 26.2 -4.1 59 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 15,-0.3 0.906 111.8 49.5 -61.7 -43.4 42.4 23.5 -6.6 60 60 A V H X S+ 0 0 16 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.922 113.5 46.3 -64.0 -45.7 38.7 24.7 -6.5 61 61 A T H X S+ 0 0 39 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.952 116.9 41.1 -66.0 -46.7 39.8 28.4 -7.2 62 62 A D H X S+ 0 0 42 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.828 112.0 61.8 -73.2 -20.3 42.3 27.7 -10.0 63 63 A G H >< S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.3 4,-0.5 0.988 102.5 44.6 -64.8 -59.3 39.8 25.2 -11.3 64 64 A M H >< S+ 0 0 47 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.785 109.3 59.0 -62.3 -25.8 36.9 27.5 -12.0 65 65 A A H 3< S+ 0 0 84 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.735 96.5 63.9 -71.3 -21.6 39.3 30.0 -13.6 66 66 A S T << S- 0 0 29 -3,-1.8 4,-0.4 -4,-0.7 -1,-0.2 0.591 98.5-136.9 -84.6 -8.2 40.4 27.4 -16.2 67 67 A G X > - 0 0 21 -3,-0.7 5,-2.6 -4,-0.5 3,-1.1 0.167 28.2 -66.6 76.2 165.6 37.1 27.0 -18.0 68 68 A L G > 5S+ 0 0 51 1,-0.3 3,-2.0 3,-0.2 18,-0.2 0.819 124.9 61.1 -63.4 -35.9 35.1 24.2 -19.3 69 69 A D G 3 5S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.752 108.7 46.5 -68.8 -18.8 37.5 23.1 -22.1 70 70 A K G X 5S- 0 0 103 -3,-1.1 3,-0.9 -4,-0.4 -1,-0.3 0.210 119.7-113.4-101.0 13.6 40.0 22.5 -19.3 71 71 A D T < 5 - 0 0 45 -3,-2.0 -3,-0.2 1,-0.2 42,-0.2 0.711 62.4 -73.1 60.7 26.6 37.4 20.6 -17.2 72 72 A Y T 3 - 0 0 77 -2,-0.4 3,-1.0 -15,-0.3 -11,-0.1 -0.605 46.9-104.7 -67.0 129.1 44.2 24.1 -13.8 75 75 A P T 3 S+ 0 0 74 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.394 99.9 3.3 -59.1 130.6 46.3 22.0 -16.2 76 76 A D T 3 S- 0 0 163 1,-0.2 2,-1.0 -2,-0.1 3,-0.0 0.908 83.0-175.2 56.8 46.2 49.1 20.0 -14.4 77 77 A D X - 0 0 10 -3,-1.0 3,-2.0 1,-0.2 -1,-0.2 -0.616 18.2-150.6 -73.6 106.9 47.8 21.1 -11.1 78 78 A S T 3 S+ 0 0 109 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.735 92.3 59.0 -48.2 -30.4 50.4 19.6 -8.7 79 79 A R T 3 S+ 0 0 49 -24,-0.1 2,-0.6 -28,-0.1 -27,-0.4 0.630 82.6 92.5 -79.0 -15.4 47.8 19.4 -5.9 80 80 A V < - 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