==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 30-SEP-11 3U25 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.J.WARREN,J.R.WINKLER,H.B.GRAY . 254 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 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 . 2 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 . 14 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 0 0 1 0 0 1 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 2 2 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 . 4 2 0 4 0 0 2 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 2 0 2 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 2 A E 0 0 180 0, 0.0 21,-0.5 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 28.0 -16.5 9.4 -1.4 2 3 A a + 0 0 37 19,-0.1 27,-2.1 22,-0.1 2,-0.3 -0.156 360.0 65.5-134.0 38.7 -13.0 10.9 -1.1 3 4 A S E -a 29 0A 70 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.985 50.2-164.2-152.3 164.3 -10.9 9.2 -3.8 4 5 A V E -a 30 0A 34 25,-1.9 27,-2.8 -2,-0.3 2,-0.5 -0.985 15.1-139.6-148.7 143.3 -10.6 8.8 -7.5 5 6 A D E +a 31 0A 113 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.942 25.1 179.9-103.5 129.4 -8.7 6.3 -9.7 6 7 A I E -a 32 0A 0 25,-2.6 27,-1.9 -2,-0.5 2,-0.4 -0.962 11.0-156.6-132.0 145.6 -6.9 7.6 -12.7 7 8 A Q E -a 33 0A 88 -2,-0.4 8,-1.7 25,-0.2 2,-0.4 -0.931 3.7-159.4-117.5 146.2 -4.8 5.9 -15.5 8 9 A G B -C 14 0B 0 25,-2.1 28,-0.4 -2,-0.4 6,-0.2 -0.940 22.6-159.9-116.9 145.0 -2.1 7.3 -17.8 9 10 A N > - 0 0 48 4,-1.8 3,-1.3 -2,-0.4 4,-0.1 -0.567 34.9 -96.2-123.8-176.4 -1.4 5.3 -21.0 10 11 A D T 3 S+ 0 0 35 1,-0.3 34,-0.0 -2,-0.2 24,-0.0 0.456 117.5 62.0 -83.0 1.9 1.2 4.7 -23.7 11 12 A Q T 3 S- 0 0 149 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.052 119.6-103.6-109.1 19.6 -0.6 7.2 -26.0 12 13 A M S < S+ 0 0 39 -3,-1.3 2,-0.4 1,-0.2 -2,-0.1 0.913 79.0 129.5 58.9 48.1 -0.1 10.1 -23.6 13 14 A Q - 0 0 105 -4,-0.1 -4,-1.8 107,-0.1 2,-0.2 -0.997 51.7-145.8-130.7 139.4 -3.6 10.2 -22.3 14 15 A F B -C 8 0B 21 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.648 27.8-126.1 -82.0 157.0 -5.3 10.3 -18.9 15 16 A N S S+ 0 0 80 -8,-1.7 2,-0.3 -2,-0.2 -7,-0.1 0.204 91.6 36.7 -94.2 20.3 -8.5 8.3 -18.8 16 17 A T - 0 0 35 -9,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.975 52.8-165.1-153.0 152.3 -10.3 11.4 -17.4 17 18 A N S S+ 0 0 41 -2,-0.3 106,-2.0 1,-0.3 2,-0.3 0.303 79.0 30.5-122.9 20.5 -10.2 15.1 -17.9 18 19 A A E +d 123 0C 45 104,-0.3 2,-0.3 90,-0.1 -1,-0.3 -0.944 54.3 166.1-167.5 137.2 -12.2 16.1 -14.7 19 20 A H E -d 124 0C 17 104,-2.3 106,-2.1 -2,-0.3 2,-0.2 -0.968 23.2-129.7-144.4 169.2 -13.0 14.9 -11.3 20 21 A T E -d 125 0C 67 -2,-0.3 2,-0.4 104,-0.2 106,-0.2 -0.674 2.5-153.6-109.6 163.5 -14.5 16.4 -8.2 21 22 A V E -d 126 0C 0 104,-2.1 106,-2.1 -2,-0.2 2,-0.2 -0.962 25.2-130.4-130.2 123.0 -13.6 16.6 -4.5 22 23 A D > - 0 0 36 -21,-0.5 3,-2.1 -2,-0.4 104,-0.1 -0.527 14.3-130.7 -75.5 135.9 -16.5 16.9 -2.1 23 24 A K T 3 S+ 0 0 97 104,-3.1 -1,-0.1 1,-0.3 80,-0.0 0.755 104.4 63.7 -61.8 -15.6 -16.0 19.8 0.4 24 25 A S T 3 S+ 0 0 77 103,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.642 79.1 102.7 -88.3 -5.8 -16.9 17.6 3.3 25 26 A a < - 0 0 5 -3,-2.1 3,-0.1 1,-0.2 73,-0.0 -0.535 52.8-166.8 -69.9 135.1 -13.8 15.4 2.6 26 27 A K S S+ 0 0 166 -2,-0.3 72,-2.4 1,-0.3 73,-0.5 0.827 79.4 18.3 -86.4 -36.5 -11.0 16.1 5.0 27 28 A Q E S- B 0 97A 110 70,-0.3 2,-0.4 71,-0.1 -1,-0.3 -0.919 71.6-157.0-124.4 160.7 -8.5 14.2 3.0 28 29 A F E - B 0 96A 6 68,-2.2 68,-2.4 -2,-0.3 2,-0.4 -0.995 6.3-151.3-139.4 139.8 -8.7 13.1 -0.7 29 30 A T E -aB 3 95A 20 -27,-2.1 -25,-1.9 -2,-0.4 2,-0.5 -0.949 5.3-164.7-116.6 129.9 -6.8 10.3 -2.4 30 31 A V E -aB 4 94A 0 64,-2.8 64,-2.3 -2,-0.4 2,-0.7 -0.969 7.7-161.4-109.6 122.8 -5.8 10.0 -6.0 31 32 A N E -aB 5 93A 47 -27,-2.8 -25,-2.6 -2,-0.5 2,-0.4 -0.909 12.7-170.0-106.4 102.8 -4.8 6.5 -7.1 32 33 A L E +aB 6 92A 1 60,-2.8 60,-2.6 -2,-0.7 2,-0.3 -0.760 6.5 178.1 -94.6 138.1 -2.7 6.8 -10.3 33 34 A S E -aB 7 91A 39 -27,-1.9 -25,-2.1 -2,-0.4 58,-0.2 -0.956 24.9-149.6-137.4 159.0 -1.7 3.7 -12.4 34 35 A H + 0 0 2 56,-2.2 55,-2.6 -2,-0.3 56,-0.4 -0.879 17.3 173.4-126.6 87.2 0.1 3.1 -15.7 35 36 A P + 0 0 76 0, 0.0 -26,-0.1 0, 0.0 53,-0.1 0.262 50.0 102.3 -86.5 19.3 -1.3 -0.0 -17.3 36 37 A G S S- 0 0 9 -28,-0.4 53,-0.4 2,-0.1 -2,-0.1 -0.026 75.3-123.0 -82.5-166.0 0.8 0.5 -20.5 37 38 A N S S+ 0 0 135 51,-0.1 -1,-0.0 2,-0.1 -28,-0.0 0.395 76.2 95.5-121.8 -5.1 4.0 -1.2 -21.6 38 39 A L S S- 0 0 68 5,-0.1 50,-2.3 1,-0.1 -2,-0.1 -0.707 73.9-117.6 -96.3 139.7 6.5 1.7 -22.0 39 40 A P >> - 0 0 66 0, 0.0 4,-2.1 0, 0.0 3,-1.6 -0.234 26.7-103.0 -74.0 167.0 8.8 2.5 -19.1 40 41 A K H 3> S+ 0 0 65 1,-0.3 4,-1.2 2,-0.2 46,-0.1 0.716 113.7 71.3 -63.0 -23.1 8.9 5.7 -17.2 41 42 A N H 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.2 26,-0.0 0.765 118.6 16.8 -68.4 -22.2 12.0 6.9 -19.1 42 43 A V H <4 S+ 0 0 86 -3,-1.6 -2,-0.2 71,-0.0 -1,-0.2 0.494 144.1 22.3-120.7 -12.2 10.0 7.4 -22.3 43 44 A M H < S+ 0 0 21 -4,-2.1 -3,-0.2 2,-0.0 -2,-0.2 -0.125 77.8 156.0-155.3 46.7 6.4 7.5 -21.1 44 45 A G < - 0 0 0 -4,-1.2 2,-0.4 43,-0.1 43,-0.2 -0.465 20.9-164.4 -76.9 147.1 6.5 8.4 -17.5 45 46 A H B +H 86 0D 0 41,-2.4 41,-2.9 -2,-0.2 2,-0.3 -0.986 11.6 178.5-131.7 141.3 3.3 10.0 -15.9 46 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.3 39,-0.1 -0.853 27.4-130.9-127.9 163.7 2.5 11.9 -12.8 47 48 A Y + 0 0 0 -2,-0.3 36,-2.2 37,-0.3 2,-0.4 -0.989 32.7 179.1-108.5 114.1 -0.5 13.5 -11.4 48 49 A V E -EF 82 110C 0 62,-2.1 62,-1.8 -2,-0.5 2,-0.5 -0.975 11.5-155.6-123.4 129.7 0.4 17.0 -10.3 49 50 A L E +EF 81 109C 0 32,-2.6 31,-2.8 -2,-0.4 32,-0.9 -0.933 27.4 137.3-112.2 131.1 -2.2 19.4 -8.8 50 51 A S E - F 0 108C 0 58,-2.3 58,-2.5 -2,-0.5 29,-0.1 -0.924 59.2 -69.7-149.3 176.3 -2.0 23.2 -8.8 51 52 A T E >> - F 0 107C 20 27,-0.4 4,-1.0 -2,-0.3 3,-0.8 -0.409 53.0-111.1 -63.2 154.8 -4.3 26.3 -9.3 52 53 A A G >4 S+ 0 0 40 54,-2.5 3,-0.7 1,-0.3 4,-0.5 0.898 119.0 50.8 -58.5 -42.3 -5.2 26.5 -13.0 53 54 A A G 34 S+ 0 0 90 53,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.735 109.6 51.1 -73.2 -17.3 -3.1 29.7 -13.3 54 55 A D G <> S+ 0 0 57 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.638 85.7 85.3 -90.6 -11.9 -0.0 28.1 -11.8 55 56 A M H S+ 0 0 153 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.939 112.1 42.3 -57.5 -48.0 2.0 26.6 -16.8 57 58 A G H > S+ 0 0 20 -4,-0.4 4,-2.6 2,-0.2 5,-0.4 0.875 111.7 53.8 -68.1 -38.5 4.8 27.6 -14.6 58 59 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 15,-0.3 0.924 113.6 44.8 -56.2 -47.1 4.9 24.3 -12.7 59 60 A V H X S+ 0 0 8 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.925 112.7 49.4 -61.0 -50.2 5.2 22.6 -16.0 60 61 A T H X S+ 0 0 72 -4,-2.7 4,-0.8 -5,-0.3 -2,-0.2 0.941 119.2 37.4 -57.5 -50.6 7.8 24.9 -17.5 61 62 A D H < S+ 0 0 56 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.862 116.0 54.5 -73.2 -33.5 10.1 24.7 -14.4 62 63 A G H >< S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.4 4,-0.4 0.941 103.8 52.1 -64.4 -46.0 9.3 21.1 -13.9 63 64 A M H 3< S+ 0 0 72 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.790 110.6 51.4 -58.4 -29.5 10.3 19.9 -17.3 64 65 A A T 3< S+ 0 0 88 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.487 95.8 73.1 -84.3 -3.7 13.6 21.8 -16.8 65 66 A S S < S- 0 0 26 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.552 102.7-101.4 -97.4 -7.8 14.3 20.1 -13.4 66 67 A G > > - 0 0 23 -3,-0.4 5,-2.4 -4,-0.4 3,-1.8 0.252 17.7 -99.3 105.3 139.3 15.3 16.5 -14.6 67 68 A L G > 5S+ 0 0 51 1,-0.3 3,-2.2 3,-0.2 -1,-0.1 0.844 120.5 63.6 -53.8 -42.1 13.8 13.1 -14.8 68 69 A D G 3 5S+ 0 0 136 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.586 103.3 48.0 -67.4 -9.8 15.5 12.2 -11.6 69 70 A K G X 5S- 0 0 104 -3,-1.8 3,-0.9 -7,-0.1 -1,-0.3 0.096 120.9-109.3-107.0 18.6 13.5 14.9 -9.8 70 71 A D T < 5 - 0 0 34 -3,-2.2 -3,-0.2 1,-0.2 42,-0.2 0.761 64.2 -70.5 55.5 34.7 10.3 13.6 -11.4 71 72 A F T 3 - 0 0 79 -2,-0.4 3,-1.0 -15,-0.3 -11,-0.1 -0.475 44.3-101.6 -59.2 131.7 11.2 22.1 -9.5 74 75 A P T 3 S+ 0 0 69 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.223 100.6 5.8 -60.8 140.2 12.5 21.5 -6.0 75 76 A D T 3 S+ 0 0 165 1,-0.2 2,-1.1 -3,-0.1 -2,-0.1 0.867 81.3 172.2 58.6 38.9 10.5 23.2 -3.3 76 77 A D X - 0 0 15 -3,-1.0 3,-1.6 1,-0.2 -1,-0.2 -0.710 16.8-168.4 -82.9 104.1 7.8 24.4 -5.7 77 78 A S T 3 S+ 0 0 119 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.576 79.1 72.3 -70.6 -10.8 5.2 25.9 -3.4 78 79 A R T 3 S+ 0 0 56 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.4 0.634 75.6 93.3 -77.1 -17.5 2.7 26.1 -6.3 79 80 A V < - 0 0 28 -3,-1.6 -29,-0.2 1,-0.2 3,-0.1 -0.724 53.4-175.8 -79.8 113.9 2.3 22.2 -6.2 80 81 A I - 0 0 32 -31,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.907 67.9 -25.3 -75.4 -45.0 -0.7 21.4 -3.9 81 82 A A E +E 49 0C 9 -32,-0.9 -32,-2.6 15,-0.1 -1,-0.4 -0.960 65.4 177.9-160.2 160.3 -0.2 17.6 -4.2 82 83 A H E -E 48 0C 75 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.987 22.2-129.5-163.4 157.6 1.3 15.1 -6.5 83 84 A T - 0 0 1 -36,-2.2 11,-0.1 -2,-0.3 2,-0.1 -0.535 43.7 -90.0 -89.7 167.4 2.1 11.5 -7.1 84 85 A K - 0 0 93 -2,-0.2 2,-0.5 -38,-0.1 -37,-0.3 -0.354 48.2 -94.9 -62.7 162.1 5.4 10.1 -8.2 85 86 A L - 0 0 1 -39,-0.1 2,-0.3 -18,-0.1 -39,-0.3 -0.731 53.8-170.9 -78.1 128.2 6.3 9.7 -11.8 86 87 A I B -H 45 0D 1 -41,-2.9 -41,-2.4 -2,-0.5 2,-0.2 -0.896 13.7-161.6-126.0 157.2 5.4 6.2 -12.8 87 88 A G > - 0 0 2 -2,-0.3 3,-2.3 1,-0.2 -53,-0.3 -0.534 51.1 -29.2-122.7-173.1 6.0 3.9 -15.8 88 89 A S T 3 S+ 0 0 43 -50,-2.3 -1,-0.2 1,-0.3 -51,-0.1 -0.059 127.4 8.3 -44.9 131.6 4.5 0.7 -17.2 89 90 A G T 3 S+ 0 0 70 -55,-2.6 -1,-0.3 -53,-0.4 2,-0.2 0.407 105.7 112.4 81.5 0.4 3.1 -1.7 -14.5 90 91 A E < - 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