==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 08-OCT-96 1VLX . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR N.BONANDER,T.VANNGARD,L.-C.TSAI,V.LANGER,H.NAR,L.SJOLIN . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 63.3 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 . 36 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 10.4 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 0 106 0, 0.0 2,-0.8 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0-175.2 -10.2 53.6 27.0 2 2 A E T 3 - 0 0 181 1,-0.3 28,-0.1 27,-0.0 3,-0.1 -0.700 360.0 -27.2 -79.1 111.8 -11.6 54.1 23.5 3 3 A a T 3 S+ 0 0 42 -2,-0.8 27,-2.4 1,-0.2 2,-0.3 0.762 131.1 79.9 54.7 28.2 -8.8 53.4 21.0 4 4 A S E < -a 30 0A 26 -3,-0.6 2,-0.3 25,-0.2 27,-0.2 -0.959 60.7-154.6-153.8 165.0 -6.3 54.4 23.7 5 5 A V E -a 31 0A 30 25,-1.9 27,-3.1 -2,-0.3 2,-0.5 -0.984 10.7-142.5-148.1 143.7 -4.6 53.1 26.7 6 6 A D E +a 32 0A 96 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.965 26.9 176.8-108.1 127.7 -3.1 54.6 29.9 7 7 A I E -a 33 0A 0 25,-2.9 27,-2.2 -2,-0.5 2,-0.4 -0.986 13.9-155.2-136.5 141.1 0.0 53.0 31.1 8 8 A Q E -a 34 0A 92 -2,-0.4 8,-1.7 25,-0.2 2,-0.4 -0.897 4.3-158.0-117.1 148.7 2.4 53.8 34.0 9 9 A G B -C 15 0B 0 25,-2.0 6,-0.2 -2,-0.4 2,-0.1 -0.992 24.5-163.9-122.0 128.2 6.0 53.0 34.5 10 10 A N > - 0 0 26 4,-1.9 3,-1.0 -2,-0.4 27,-0.1 -0.375 36.7 -93.8-109.0-171.4 7.1 53.1 38.1 11 11 A D T 3 S+ 0 0 18 1,-0.3 26,-0.1 2,-0.1 363,-0.1 0.543 117.9 65.1 -80.6 -5.2 10.3 53.3 40.3 12 12 A Q T 3 S- 0 0 88 2,-0.2 -1,-0.3 361,-0.1 3,-0.1 0.069 116.8-108.7-103.7 24.7 10.2 49.5 40.6 13 13 A M S < S+ 0 0 1 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.876 77.6 127.6 51.3 47.2 10.9 49.0 36.8 14 14 A Q - 0 0 19 -4,-0.1 -4,-1.9 107,-0.1 2,-0.3 -0.966 53.2-142.4-134.7 146.8 7.3 47.8 36.1 15 15 A F B -C 9 0B 14 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.806 23.3-130.0-100.1 150.5 4.6 48.7 33.7 16 16 A N S S+ 0 0 53 -8,-1.7 2,-0.4 -2,-0.3 390,-0.1 0.699 92.3 38.6 -74.0 -20.8 1.0 48.5 35.1 17 17 A T - 0 0 41 -9,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.974 54.0-173.8-131.3 150.0 -0.1 46.5 32.2 18 18 A N S S+ 0 0 26 -2,-0.4 106,-1.8 1,-0.2 2,-0.4 0.356 72.6 51.5-121.5 4.7 1.5 43.7 30.1 19 19 A A E -d 124 0C 51 104,-0.2 2,-0.4 384,-0.1 106,-0.2 -0.980 58.9-169.7-145.2 127.1 -0.9 43.1 27.3 20 20 A I E -d 125 0C 7 104,-2.6 106,-2.3 -2,-0.4 2,-0.5 -0.977 5.9-160.6-118.0 128.9 -2.4 45.8 24.9 21 21 A T E -d 126 0C 80 -2,-0.4 2,-0.4 104,-0.2 106,-0.2 -0.945 2.5-162.7-110.9 129.5 -5.3 45.0 22.5 22 22 A V E -d 127 0C 0 104,-2.8 106,-3.4 -2,-0.5 2,-0.3 -0.918 16.5-135.7-109.3 134.5 -5.9 47.2 19.5 23 23 A D > - 0 0 68 -2,-0.4 3,-1.1 104,-0.2 104,-0.0 -0.722 10.0-132.7 -91.5 143.7 -9.3 46.9 17.9 24 24 A K T 3 S+ 0 0 128 104,-2.4 -1,-0.1 -2,-0.3 75,-0.1 0.762 103.8 67.7 -65.0 -27.2 -9.4 46.8 14.0 25 25 A S T 3 S+ 0 0 89 103,-0.3 -1,-0.2 2,-0.0 2,-0.1 0.771 80.4 100.4 -65.9 -20.1 -12.2 49.4 14.0 26 26 A a < - 0 0 11 -3,-1.1 3,-0.1 1,-0.2 73,-0.1 -0.426 55.2-166.7 -67.9 131.9 -9.6 51.9 15.3 27 27 A K S S+ 0 0 176 1,-0.2 72,-2.5 -2,-0.1 73,-0.5 0.834 81.2 8.3 -81.6 -40.5 -8.2 54.3 12.7 28 28 A Q E S- B 0 98A 99 70,-0.3 2,-0.4 71,-0.1 70,-0.2 -0.846 71.7-141.5-131.7 166.8 -5.5 55.3 15.1 29 29 A F E - B 0 97A 8 68,-2.6 68,-2.0 -2,-0.3 2,-0.4 -0.984 9.9-153.7-139.7 128.8 -4.4 54.2 18.5 30 30 A T E -aB 4 96A 35 -27,-2.4 -25,-1.9 -2,-0.4 2,-0.5 -0.855 5.5-168.4-107.6 133.1 -3.2 56.3 21.4 31 31 A V E -aB 5 95A 0 64,-2.6 64,-1.6 -2,-0.4 2,-0.6 -0.967 8.0-160.7-117.4 119.5 -0.8 55.2 24.2 32 32 A N E -aB 6 94A 35 -27,-3.1 -25,-2.9 -2,-0.5 2,-0.5 -0.926 9.3-164.3-102.1 125.0 -0.6 57.6 27.2 33 33 A L E +aB 7 93A 0 60,-3.3 60,-2.6 -2,-0.6 2,-0.3 -0.916 12.0 171.7-116.4 130.2 2.5 57.1 29.3 34 34 A S E -aB 8 92A 27 -27,-2.2 -25,-2.0 -2,-0.5 58,-0.2 -0.935 22.5-146.8-129.8 152.8 3.1 58.4 32.8 35 35 A H - 0 0 3 56,-1.4 55,-1.9 -2,-0.3 56,-0.3 -0.742 15.2-170.2-121.8 84.1 5.8 57.8 35.4 36 36 A P + 0 0 54 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.380 49.5 64.6 -68.8 153.8 4.6 57.9 39.0 37 37 A G S S- 0 0 34 -27,-0.1 -2,-0.1 1,-0.1 53,-0.1 -0.809 85.1 -93.5 130.3-169.9 7.4 57.8 41.5 38 38 A N S S+ 0 0 149 -2,-0.3 -1,-0.1 51,-0.1 -28,-0.0 0.423 76.3 108.9-130.3 1.7 10.2 60.1 42.5 39 39 A L - 0 0 18 -3,-0.1 50,-2.2 5,-0.1 0, 0.0 -0.636 61.1-121.9 -88.7 142.5 13.3 59.0 40.5 40 40 A P >> - 0 0 62 0, 0.0 4,-2.8 0, 0.0 3,-0.9 -0.106 29.7 -94.5 -71.1 172.5 14.9 61.1 37.6 41 41 A K H 3> S+ 0 0 76 1,-0.2 4,-0.8 2,-0.2 46,-0.1 0.791 117.0 54.7 -62.7 -40.6 15.5 60.2 34.0 42 42 A N H 34 S+ 0 0 40 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.755 120.8 32.8 -69.9 -16.8 19.1 59.0 34.2 43 43 A V H <4 S+ 0 0 1 -3,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.853 135.8 14.8-103.7 -48.5 18.2 56.5 36.9 44 44 A M H < S+ 0 0 0 -4,-2.8 -2,-0.2 2,-0.0 -3,-0.1 -0.253 81.8 169.0-126.4 44.2 14.7 55.3 36.3 45 45 A G < - 0 0 0 -4,-0.8 2,-0.4 41,-0.1 69,-0.2 -0.248 11.7-168.2 -60.3 137.5 14.0 56.4 32.7 46 46 A H B +H 87 0D 0 41,-2.2 41,-3.0 -37,-0.1 2,-0.4 -0.992 13.9 164.1-134.2 122.4 11.0 55.1 30.9 47 47 A N - 0 0 0 -2,-0.4 2,-0.6 39,-0.3 67,-0.2 -0.954 31.9-129.6-126.0 157.0 9.9 55.2 27.3 48 48 A W + 0 0 0 37,-0.4 36,-2.0 -2,-0.4 2,-0.3 -0.943 29.8 179.2-115.1 122.8 7.4 53.3 25.6 49 49 A V E -EF 83 111C 0 62,-2.0 62,-1.9 -2,-0.6 2,-0.4 -0.956 11.1-159.6-121.3 141.0 8.5 51.6 22.2 50 50 A L E +EF 82 110C 0 32,-2.2 31,-2.3 -2,-0.3 32,-0.7 -0.944 26.3 136.9-126.0 131.2 6.6 49.4 19.7 51 51 A S E - F 0 109C 0 58,-1.5 58,-2.5 -2,-0.4 29,-0.1 -0.927 59.2 -75.9-157.0 169.7 8.1 47.0 17.2 52 52 A T E > - F 0 108C 18 27,-0.4 4,-0.7 -2,-0.3 56,-0.3 -0.342 48.4-112.3 -65.6 165.2 7.4 43.5 15.9 53 53 A A T 4 S+ 0 0 4 54,-2.0 4,-0.5 1,-0.2 3,-0.2 0.773 120.0 57.0 -70.4 -33.1 8.6 40.8 18.4 54 54 A A T 4 S+ 0 0 45 53,-0.4 4,-0.3 1,-0.2 132,-0.2 0.820 108.7 45.4 -65.4 -36.0 11.2 39.8 15.9 55 55 A D T > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.1 5,-0.2 0.600 88.1 90.5 -85.3 -7.1 12.6 43.4 15.8 56 56 A M H X S+ 0 0 30 -4,-0.7 4,-2.8 1,-0.2 3,-0.3 0.922 83.0 51.0 -62.0 -55.7 12.7 44.0 19.6 57 57 A Q H > S+ 0 0 20 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.928 112.1 46.7 -51.4 -43.8 16.2 42.7 20.3 58 58 A G H > S+ 0 0 9 -4,-0.3 4,-2.5 1,-0.2 5,-0.3 0.832 112.4 50.9 -68.7 -33.2 17.9 44.8 17.6 59 59 A V H X S+ 0 0 0 -4,-1.8 4,-1.5 -3,-0.3 15,-0.3 0.911 112.8 44.5 -69.6 -42.0 15.9 47.8 18.8 60 60 A V H X S+ 0 0 10 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.946 116.2 47.7 -67.5 -42.9 17.0 47.4 22.4 61 61 A T H X S+ 0 0 34 -4,-3.0 4,-1.4 -5,-0.3 -2,-0.2 0.960 117.1 40.4 -63.6 -48.8 20.6 46.7 21.4 62 62 A D H < S+ 0 0 36 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.800 113.6 58.1 -70.9 -29.3 20.9 49.6 19.1 63 63 A G H >X S+ 0 0 0 -4,-1.5 3,-1.8 -5,-0.3 4,-0.6 0.952 101.0 51.9 -65.8 -46.9 19.0 51.6 21.6 64 64 A M H >< S+ 0 0 34 -4,-2.7 3,-0.7 1,-0.3 -2,-0.2 0.851 109.2 54.9 -56.5 -33.1 21.5 51.0 24.4 65 65 A A T 3< S+ 0 0 86 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.552 91.5 72.2 -77.2 -11.0 24.2 52.3 22.0 66 66 A S T <4 S- 0 0 21 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.729 96.6-136.6 -80.0 -21.9 22.4 55.6 21.3 67 67 A G X<> - 0 0 19 -3,-0.7 5,-2.5 -4,-0.6 3,-0.7 -0.093 26.1 -69.9 89.9 163.9 23.2 57.0 24.6 68 68 A L G > 5S+ 0 0 52 1,-0.2 3,-2.1 3,-0.2 -1,-0.1 0.858 127.6 59.1 -61.6 -40.8 21.2 59.0 27.2 69 69 A D G 3 5S+ 0 0 128 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.629 106.5 49.9 -68.2 -13.3 21.1 62.1 25.1 70 70 A K G X 5S- 0 0 95 -3,-0.7 3,-1.2 -4,-0.2 -1,-0.3 0.199 116.3-113.9-106.1 9.1 19.3 60.1 22.4 71 71 A D T < 5 - 0 0 39 -3,-2.1 -3,-0.2 1,-0.3 42,-0.2 0.781 63.4 -76.5 60.3 25.2 16.8 58.7 24.9 72 72 A Y T 3 - 0 0 77 -2,-0.4 3,-1.0 -15,-0.3 -11,-0.1 -0.550 40.1-113.5 -71.3 121.2 18.6 55.0 17.6 75 75 A P T 3 S+ 0 0 70 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.260 95.6 11.9 -57.4 139.7 17.2 57.9 15.5 76 76 A D T 3 S+ 0 0 164 1,-0.2 2,-0.7 2,-0.1 -2,-0.0 0.818 80.3 176.6 62.3 33.3 15.3 56.9 12.4 77 77 A D X - 0 0 13 -3,-1.0 3,-1.6 1,-0.2 -1,-0.2 -0.638 21.4-153.5 -72.0 115.0 15.1 53.3 13.5 78 78 A S T 3 S+ 0 0 115 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.607 89.1 62.6 -67.1 -13.6 13.0 51.8 10.7 79 79 A R T 3 S+ 0 0 59 -24,-0.1 2,-0.6 -28,-0.0 -27,-0.4 0.630 79.9 96.2 -84.8 -18.9 11.9 49.0 13.0 80 80 A V < - 0 0 24 -3,-1.6 -29,-0.2 1,-0.2 3,-0.1 -0.694 48.3-175.6 -80.2 113.9 10.1 51.4 15.5 81 81 A I S S- 0 0 32 -31,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.933 72.6 -20.2 -73.4 -43.4 6.4 51.6 14.7 82 82 A A E +E 50 0C 9 -32,-0.7 -32,-2.2 15,-0.1 -1,-0.3 -0.981 68.8 175.8-162.6 151.1 5.8 54.2 17.4 83 83 A H E -E 49 0C 80 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.994 20.6-130.2-156.7 163.2 7.6 55.5 20.5 84 84 A T - 0 0 1 -36,-2.0 2,-0.1 -2,-0.3 11,-0.1 -0.559 36.2 -96.5-108.2 171.3 7.6 58.0 23.3 85 85 A K - 0 0 116 -2,-0.2 2,-0.6 -38,-0.1 -37,-0.4 -0.274 51.0 -94.3 -71.8 170.7 10.4 60.2 24.6 86 86 A L - 0 0 2 -39,-0.1 2,-0.3 -18,-0.1 -39,-0.3 -0.843 53.6-169.4 -95.4 123.8 12.3 58.9 27.7 87 87 A I B -H 46 0D 7 -41,-3.0 -41,-2.2 -2,-0.6 2,-0.1 -0.880 15.0-148.4-117.8 153.6 10.6 60.3 30.7 88 88 A G > - 0 0 2 -2,-0.3 3,-1.8 1,-0.2 -53,-0.2 -0.339 50.6 -54.2-101.8-174.6 11.4 60.5 34.4 89 89 A S T 3 S+ 0 0 32 -50,-2.2 -1,-0.2 1,-0.2 -48,-0.1 -0.357 126.2 23.7 -63.1 145.9 9.1 60.6 37.5 90 90 A G T 3 S+ 0 0 76 -55,-1.9 -1,-0.2 1,-0.3 2,-0.2 0.296 103.4 107.1 81.2 -9.8 6.5 63.4 37.3 91 91 A E < - 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