==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 11-SEP-09 3JTB . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.G.GAO,H.ROBINSON . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 63.1 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 . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.5 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 3 0 0 0 0 2 0 1 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 0 117 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 67.6 -5.3 14.6 10.1 2 2 A E T 3 + 0 0 175 1,-0.2 20,-0.0 3,-0.0 27,-0.0 0.040 360.0 21.7 -51.3 172.5 -4.2 12.4 13.0 3 3 A a T 3 S+ 0 0 46 26,-0.1 27,-1.9 28,-0.0 2,-0.3 0.684 114.4 71.4 30.3 38.4 -3.6 8.6 12.7 4 4 A S E < -a 30 0A 35 -3,-0.6 2,-0.3 25,-0.2 27,-0.2 -0.989 61.2-146.0-166.0 162.7 -3.2 8.8 8.9 5 5 A V E -a 31 0A 35 25,-1.9 27,-3.6 -2,-0.3 2,-0.7 -0.992 10.5-143.6-139.7 147.0 -0.9 9.9 6.1 6 6 A D E +a 32 0A 101 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.891 33.1 170.3-108.0 99.8 -1.3 11.3 2.5 7 7 A I E -a 33 0A 0 25,-2.3 27,-1.5 -2,-0.7 2,-0.4 -0.902 17.3-151.6-118.8 139.9 1.5 9.9 0.3 8 8 A Q E -a 34 0A 77 -2,-0.4 8,-0.8 25,-0.2 2,-0.4 -0.917 8.4-160.0-117.0 142.9 2.0 10.1 -3.4 9 9 A G B -C 15 0B 0 25,-2.4 6,-0.2 -2,-0.4 2,-0.1 -0.943 29.0-166.9-104.5 126.2 3.7 7.9 -6.0 10 10 A N > - 0 0 41 4,-1.7 3,-1.1 -2,-0.4 27,-0.1 -0.416 36.6 -90.2-115.5-168.1 4.5 9.7 -9.2 11 11 A D T 3 S+ 0 0 23 1,-0.3 26,-0.1 25,-0.2 -1,-0.0 0.580 119.3 57.5 -73.4 -16.7 5.6 9.3 -12.8 12 12 A Q T 3 S- 0 0 125 2,-0.2 -1,-0.3 32,-0.0 25,-0.0 0.142 119.3-103.7-108.0 21.9 9.3 9.5 -11.9 13 13 A M S < S+ 0 0 43 -3,-1.1 2,-0.4 1,-0.2 -2,-0.1 0.917 78.0 125.4 67.5 43.2 9.1 6.6 -9.5 14 14 A Q - 0 0 86 107,-0.1 -4,-1.7 -4,-0.1 -1,-0.2 -0.998 51.7-144.5-137.0 141.1 9.2 8.5 -6.3 15 15 A F B -C 9 0B 24 -2,-0.4 -6,-0.2 -6,-0.2 107,-0.1 -0.544 28.3-125.5 -83.9 162.8 7.2 8.7 -3.1 16 16 A N S S+ 0 0 89 -8,-0.8 2,-0.3 -2,-0.2 -7,-0.1 0.254 91.7 39.8 -98.1 12.6 7.0 12.2 -1.6 17 17 A T - 0 0 43 -9,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.990 47.6-175.5-156.5 145.4 8.2 10.9 1.7 18 18 A N S S+ 0 0 103 -2,-0.3 106,-2.3 1,-0.2 2,-0.5 0.459 80.9 58.2-121.3 -7.3 10.8 8.4 3.0 19 19 A A E -d 124 0C 57 104,-0.2 2,-0.4 90,-0.1 -1,-0.2 -0.957 63.3-176.7-125.6 114.7 9.9 8.8 6.6 20 20 A I E -d 125 0C 7 104,-2.7 106,-2.0 -2,-0.5 2,-0.4 -0.877 11.4-151.5-109.3 149.2 6.4 8.0 7.9 21 21 A T E -d 126 0C 80 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.981 4.1-160.8-125.7 128.0 5.4 8.5 11.5 22 22 A V E -d 127 0C 0 104,-2.0 106,-1.1 -2,-0.4 2,-0.6 -0.901 22.4-128.0-108.5 116.8 2.7 6.6 13.5 23 23 A D > - 0 0 77 -2,-0.5 3,-2.6 105,-0.2 104,-0.1 -0.531 13.4-138.3 -69.2 118.3 1.3 8.1 16.7 24 24 A K T 3 S+ 0 0 111 -2,-0.6 -1,-0.2 1,-0.3 103,-0.0 0.630 99.2 66.7 -40.7 -30.0 1.5 5.5 19.4 25 25 A S T 3 S+ 0 0 99 74,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.636 78.6 97.3 -69.7 -28.8 -2.0 6.6 20.6 26 26 A a < - 0 0 9 -3,-2.6 3,-0.1 1,-0.2 73,-0.1 -0.385 56.4-161.1 -69.2 132.4 -3.8 5.3 17.4 27 27 A K S S+ 0 0 171 1,-0.3 72,-2.8 -2,-0.2 73,-0.6 0.888 86.4 21.4 -77.0 -32.7 -5.5 2.0 17.5 28 28 A Q E - B 0 98A 88 70,-0.3 2,-0.4 71,-0.1 -1,-0.3 -0.956 69.3-154.4-131.0 147.3 -5.4 2.0 13.7 29 29 A F E - B 0 97A 5 68,-2.6 68,-2.2 -2,-0.3 2,-0.4 -0.990 10.1-158.3-125.4 134.6 -3.3 3.9 11.1 30 30 A T E -aB 4 96A 35 -27,-1.9 -25,-1.9 -2,-0.4 2,-0.5 -0.932 2.6-158.7-118.1 135.0 -4.5 4.7 7.6 31 31 A V E -aB 5 95A 0 64,-2.3 64,-1.3 -2,-0.4 2,-0.7 -0.941 3.8-159.9-111.0 116.6 -2.4 5.5 4.5 32 32 A N E -aB 6 94A 38 -27,-3.6 -25,-2.3 -2,-0.5 2,-0.4 -0.877 14.8-173.0-101.5 114.4 -3.9 7.3 1.6 33 33 A L E +aB 7 93A 0 60,-2.5 60,-3.1 -2,-0.7 2,-0.3 -0.847 7.1 172.8-106.9 140.5 -1.9 6.8 -1.5 34 34 A S E -aB 8 92A 35 -27,-1.5 -25,-2.4 -2,-0.4 58,-0.2 -0.890 26.1-133.8-137.4 167.3 -2.5 8.6 -4.8 35 35 A H - 0 0 4 56,-1.4 55,-1.8 -2,-0.3 56,-0.2 -0.784 16.1-166.3-132.3 93.2 -0.7 8.7 -8.1 36 36 A P + 0 0 54 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 -0.427 54.0 58.7 -68.3 154.0 -0.2 12.2 -9.6 37 37 A G S S- 0 0 42 -27,-0.1 53,-0.1 1,-0.1 -2,-0.1 -0.799 85.4 -96.2 122.4-166.8 0.9 12.0 -13.3 38 38 A N S S+ 0 0 132 -2,-0.3 -1,-0.1 51,-0.1 -28,-0.0 0.256 78.3 112.2-136.9 2.3 -0.4 10.5 -16.5 39 39 A L - 0 0 59 -3,-0.1 50,-2.5 5,-0.1 5,-0.0 -0.664 61.8-128.0 -87.8 133.8 1.4 7.2 -16.7 40 40 A P >> - 0 0 60 0, 0.0 4,-3.3 0, 0.0 3,-2.3 -0.159 24.7 -88.9 -85.2 174.6 -0.9 4.2 -16.3 41 41 A K H 3> S+ 0 0 66 1,-0.3 4,-0.5 2,-0.2 46,-0.1 0.831 123.1 46.5 -45.9 -47.8 -0.9 1.0 -14.2 42 42 A N H 34 S+ 0 0 120 2,-0.2 -1,-0.3 1,-0.1 26,-0.0 0.582 122.3 36.6 -79.9 -3.3 1.1 -1.1 -16.6 43 43 A V H <4 S+ 0 0 78 -3,-2.3 -2,-0.2 1,-0.0 -1,-0.1 0.804 136.5 7.1-117.1 -42.5 3.8 1.6 -17.1 44 44 A M H < S+ 0 0 30 -4,-3.3 2,-0.3 2,-0.1 -2,-0.2 -0.488 81.8 166.6-140.2 64.0 4.2 3.4 -13.8 45 45 A G < - 0 0 0 -4,-0.5 2,-0.4 43,-0.1 43,-0.2 -0.604 13.5-165.7 -86.3 139.6 2.2 1.5 -11.3 46 46 A H B +H 87 0D 0 41,-3.0 41,-4.4 -2,-0.3 2,-0.3 -0.972 13.1 171.1-128.7 147.8 2.6 2.1 -7.6 47 47 A S - 0 0 2 -2,-0.4 2,-0.5 39,-0.3 67,-0.2 -0.920 26.4-130.5-139.4 157.4 1.6 0.3 -4.4 48 48 A W + 0 0 0 -2,-0.3 36,-3.1 37,-0.3 2,-0.3 -0.967 27.6 177.1-114.0 119.9 2.4 0.7 -0.7 49 49 A V E -EF 83 111C 0 62,-1.9 62,-1.6 -2,-0.5 2,-0.4 -0.926 13.1-153.0-121.4 151.9 3.5 -2.3 1.3 50 50 A L E +EF 82 110C 0 32,-2.2 31,-2.9 -2,-0.3 32,-0.8 -0.967 29.7 131.2-127.3 132.6 4.6 -2.5 5.0 51 51 A S E - F 0 109C 0 58,-1.9 58,-3.2 -2,-0.4 29,-0.1 -0.982 59.4 -70.5-164.5 168.2 7.0 -5.0 6.6 52 52 A T E >> - F 0 108C 17 27,-0.4 4,-1.3 -2,-0.3 3,-0.7 -0.386 50.7-112.7 -62.8 148.6 10.0 -5.3 8.8 53 53 A A T 34 S+ 0 0 36 54,-2.1 4,-0.4 1,-0.3 -1,-0.1 0.779 117.6 54.3 -53.5 -29.5 13.2 -4.1 7.2 54 54 A A T 34 S+ 0 0 88 53,-0.4 4,-0.4 1,-0.2 3,-0.3 0.862 108.6 44.3 -76.6 -36.3 14.4 -7.6 7.2 55 55 A D T <> S+ 0 0 62 -3,-0.7 4,-2.0 1,-0.2 3,-0.5 0.670 89.3 94.0 -84.1 -12.4 11.4 -9.2 5.5 56 56 A M H X S+ 0 0 8 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.842 83.1 47.1 -47.4 -49.7 11.3 -6.5 2.8 57 57 A Q H > S+ 0 0 106 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.874 111.4 49.6 -68.5 -34.7 13.4 -8.2 0.1 58 58 A G H > S+ 0 0 28 -3,-0.5 4,-2.5 -4,-0.4 5,-0.3 0.909 113.1 49.8 -68.4 -33.3 11.6 -11.5 0.4 59 59 A V H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 15,-0.4 0.888 112.3 45.7 -70.8 -41.0 8.4 -9.6 0.1 60 60 A V H X S+ 0 0 3 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.882 114.7 48.6 -66.1 -39.8 9.6 -7.7 -3.0 61 61 A T H X S+ 0 0 71 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.948 117.2 38.2 -71.5 -48.5 11.0 -10.8 -4.7 62 62 A D H < S+ 0 0 52 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.778 116.1 55.1 -71.9 -28.1 7.9 -13.0 -4.2 63 63 A G H >< S+ 0 0 0 -4,-1.5 3,-2.0 -5,-0.3 -2,-0.2 0.984 104.9 51.4 -63.3 -53.5 5.7 -10.0 -4.9 64 64 A M H >< S+ 0 0 87 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.849 107.8 54.9 -46.4 -40.8 7.5 -9.5 -8.2 65 65 A A T 3< S+ 0 0 84 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 -0.107 93.0 75.3 -84.1 31.2 6.7 -13.1 -8.8 66 66 A S T <> S- 0 0 12 -3,-2.0 6,-0.6 8,-0.1 4,-0.6 0.093 95.1-134.1-132.0 23.7 3.1 -12.4 -8.2 67 67 A G T X4> - 0 0 23 -3,-0.7 5,-2.6 5,-0.2 3,-2.1 0.664 26.9 -81.0 37.7 161.7 2.4 -10.7 -11.5 68 68 A L T 345S+ 0 0 59 1,-0.3 3,-0.2 3,-0.2 -1,-0.2 0.604 126.5 66.4 -59.7 -16.5 0.6 -7.5 -12.4 69 69 A D T 345S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.523 106.1 39.3 -85.6 -11.9 -2.6 -9.5 -12.1 70 70 A K T <<5S- 0 0 124 -3,-2.1 3,-0.3 -4,-0.6 -2,-0.2 0.198 122.8-102.4-121.9 10.9 -2.1 -9.9 -8.4 71 71 A D T 5 - 0 0 43 -3,-0.2 -3,-0.2 1,-0.2 42,-0.2 0.746 65.6 -74.3 71.8 30.1 -0.8 -6.4 -7.9 72 72 A Y S - 0 0 79 -15,-0.4 3,-1.9 -2,-0.3 -11,-0.1 -0.397 49.1-115.8 -51.0 109.4 2.2 -12.7 -2.8 75 75 A P T 3 S+ 0 0 76 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.143 95.7 5.8 -50.2 142.6 -1.5 -12.9 -1.8 76 76 A D T 3 S- 0 0 160 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.742 87.1-178.1 50.7 26.6 -1.8 -13.4 2.0 77 77 A D X - 0 0 10 -3,-1.9 3,-1.9 1,-0.2 -1,-0.2 -0.371 21.5-145.8 -54.9 115.5 2.0 -12.9 2.3 78 78 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.780 93.8 57.4 -63.6 -25.6 2.6 -13.4 6.1 79 79 A R T 3 S+ 0 0 54 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.4 0.521 84.0 99.2 -86.2 -0.4 5.4 -10.9 6.3 80 80 A V < - 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