==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 28-MAR-06 2GHZ . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.YANAGISAWA,M.J.BANFIELD,C.DENNISON . 256 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 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 . 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 . 36 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 10.9 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 0 0 0 2 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 1 A A > 0 0 120 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-145.5 -13.0 -1.9 -31.8 2 2 A E T 3 + 0 0 130 1,-0.3 21,-0.4 20,-0.0 24,-0.1 0.830 360.0 52.7 -62.0 -31.1 -9.7 -3.6 -32.7 3 3 A a T 3 S+ 0 0 45 19,-0.1 27,-1.9 26,-0.1 2,-0.3 -0.021 103.8 63.8-100.8 35.7 -7.6 -0.9 -30.9 4 4 A S E < -a 30 0A 36 -3,-1.5 2,-0.3 25,-0.2 27,-0.2 -0.980 54.7-166.6-146.8 163.3 -9.3 -1.0 -27.6 5 5 A V E -a 31 0A 43 25,-2.2 27,-2.6 -2,-0.3 2,-0.5 -0.990 16.0-136.7-146.2 148.3 -9.9 -3.3 -24.7 6 6 A D E -a 32 0A 112 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.877 24.4-177.7-103.8 133.7 -12.2 -3.3 -21.7 7 7 A I E -a 33 0A 0 25,-2.7 27,-2.0 -2,-0.5 2,-0.4 -0.969 10.0-155.5-134.0 145.7 -10.9 -4.2 -18.3 8 8 A Q E -a 34 0A 91 -2,-0.4 8,-1.5 25,-0.2 2,-0.4 -0.962 5.5-165.2-119.0 138.3 -12.5 -4.6 -14.9 9 9 A G B -C 15 0B 0 25,-2.2 6,-0.2 -2,-0.4 37,-0.1 -0.997 22.3-162.8-117.4 132.2 -11.0 -4.4 -11.4 10 10 A N > - 0 0 34 4,-1.8 3,-1.4 -2,-0.4 4,-0.2 -0.301 36.8 -90.0-109.4-176.7 -13.3 -5.7 -8.7 11 11 A D T 3 S+ 0 0 32 1,-0.3 26,-0.1 2,-0.1 -1,-0.0 0.634 120.2 62.3 -70.2 -11.5 -13.7 -5.5 -4.8 12 12 A Q T 3 S- 0 0 122 2,-0.1 -1,-0.3 32,-0.0 25,-0.0 0.196 118.4-104.8-100.1 16.8 -11.5 -8.6 -4.5 13 13 A M S < S+ 0 0 57 -3,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.925 77.0 134.9 62.5 45.7 -8.3 -7.0 -6.0 14 14 A Q - 0 0 106 -4,-0.2 -4,-1.8 107,-0.1 2,-0.3 -0.986 46.0-153.4-124.4 131.0 -8.7 -8.8 -9.3 15 15 A F B -C 9 0B 23 105,-0.4 -6,-0.2 -2,-0.4 107,-0.1 -0.780 27.4-125.5 -85.0 154.5 -8.4 -7.7 -12.9 16 16 A N S S+ 0 0 88 -8,-1.5 2,-0.3 -2,-0.3 -7,-0.1 0.402 90.0 33.5 -88.4 6.2 -10.4 -9.8 -15.3 17 17 A T - 0 0 45 -9,-0.2 3,-0.1 1,-0.0 -2,-0.1 -0.972 52.0-163.8-146.7 155.5 -7.4 -10.5 -17.6 18 18 A N S S+ 0 0 115 -2,-0.3 106,-2.1 1,-0.2 2,-0.3 0.162 80.6 51.2-118.0 16.2 -3.7 -10.9 -17.0 19 19 A A E -d 124 0C 47 104,-0.3 2,-0.4 90,-0.1 106,-0.2 -0.935 57.1-172.9-159.0 124.3 -2.7 -10.4 -20.7 20 20 A I E -d 125 0C 7 104,-2.8 106,-2.1 -2,-0.3 2,-0.4 -0.963 9.4-158.6-118.0 133.2 -3.5 -7.7 -23.2 21 21 A T E -d 126 0C 101 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.965 5.6-162.4-112.5 131.6 -2.5 -8.0 -26.9 22 22 A V E -d 127 0C 0 104,-2.6 106,-2.3 -2,-0.4 2,-0.3 -0.972 24.7-120.6-116.3 124.6 -2.3 -4.8 -29.1 23 23 A D > - 0 0 41 -2,-0.5 3,-2.2 -21,-0.4 104,-0.1 -0.531 21.6-137.8 -60.5 122.1 -2.3 -5.1 -32.9 24 24 A K T 3 S+ 0 0 105 104,-3.1 -1,-0.1 -2,-0.3 80,-0.1 0.595 99.5 61.4 -64.3 -15.3 1.0 -3.5 -33.8 25 25 A S T 3 S+ 0 0 91 103,-0.3 -1,-0.3 3,-0.0 2,-0.2 0.484 76.5 111.4 -86.9 -5.2 -0.7 -1.6 -36.7 26 26 A a < - 0 0 8 -3,-2.2 3,-0.1 1,-0.2 73,-0.0 -0.508 57.8-154.8 -64.3 134.3 -3.0 0.3 -34.3 27 27 A K S S+ 0 0 102 -2,-0.2 72,-1.4 1,-0.2 73,-0.6 0.858 80.2 10.7 -76.0 -38.3 -2.0 4.0 -34.3 28 28 A Q E S- B 0 98A 117 70,-0.3 2,-0.4 71,-0.2 70,-0.2 -0.903 70.3-148.4-132.7 161.9 -3.5 4.5 -30.8 29 29 A F E - B 0 97A 2 68,-2.4 68,-2.3 -2,-0.3 2,-0.4 -0.996 8.7-157.5-136.9 140.5 -4.8 2.1 -28.1 30 30 A T E -aB 4 96A 30 -27,-1.9 -25,-2.2 -2,-0.4 2,-0.5 -0.977 5.3-162.9-123.5 133.5 -7.5 2.6 -25.6 31 31 A V E -aB 5 95A 0 64,-2.4 64,-2.1 -2,-0.4 2,-0.7 -0.968 7.7-158.3-112.7 123.5 -8.2 0.9 -22.3 32 32 A N E -aB 6 94A 48 -27,-2.6 -25,-2.7 -2,-0.5 2,-0.4 -0.915 16.0-163.9-103.3 103.2 -11.7 1.3 -20.8 33 33 A L E +aB 7 93A 2 60,-3.0 60,-2.3 -2,-0.7 2,-0.3 -0.773 13.1 170.8 -92.8 135.1 -11.4 0.6 -17.1 34 34 A S E -aB 8 92A 34 -27,-2.0 -25,-2.2 -2,-0.4 58,-0.2 -0.880 24.2-139.3-136.1 171.4 -14.4 -0.1 -14.9 35 35 A H - 0 0 3 56,-0.9 55,-2.4 -2,-0.3 56,-0.2 -0.722 11.8-164.0-141.5 83.6 -14.9 -1.3 -11.3 36 36 A P + 0 0 50 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.281 56.5 52.8 -56.0 155.0 -17.7 -3.8 -10.5 37 37 A G S S- 0 0 40 -27,-0.2 -2,-0.1 1,-0.1 51,-0.0 -0.687 86.6 -93.2 116.8-164.5 -18.5 -4.0 -6.7 38 38 A N S S+ 0 0 146 -2,-0.2 -1,-0.1 51,-0.1 -28,-0.0 0.391 72.4 119.3-133.8 4.2 -19.5 -1.5 -4.1 39 39 A L - 0 0 60 -3,-0.2 50,-2.2 5,-0.1 2,-0.0 -0.505 61.0-119.5 -80.1 141.4 -16.3 -0.4 -2.3 40 40 A P >> - 0 0 61 0, 0.0 4,-2.8 0, 0.0 3,-2.0 -0.269 24.8-103.0 -79.5 167.2 -15.4 3.3 -2.5 41 41 A K H 3> S+ 0 0 11 1,-0.3 4,-1.5 2,-0.2 46,-0.1 0.812 118.1 58.1 -58.3 -36.5 -12.2 4.8 -4.0 42 42 A N H 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.2 26,-0.1 0.563 119.3 30.7 -73.2 -8.8 -10.6 5.4 -0.6 43 43 A V H <4 S+ 0 0 80 -3,-2.0 -2,-0.2 0, 0.0 -1,-0.2 0.712 141.0 7.0-111.2 -39.0 -10.8 1.7 0.2 44 44 A M H < S+ 0 0 22 -4,-2.8 -3,-0.2 2,-0.1 -2,-0.2 -0.157 77.6 155.7-147.5 36.0 -10.6 -0.2 -3.1 45 45 A G < - 0 0 4 -4,-1.5 2,-0.3 -5,-0.2 43,-0.2 -0.427 22.5-162.9 -65.4 148.0 -9.8 2.3 -5.9 46 46 A H B -H 87 0D 1 41,-2.3 41,-2.8 -37,-0.1 2,-0.3 -0.959 11.5-177.0-129.0 152.0 -8.1 0.8 -8.9 47 47 A N - 0 0 0 -2,-0.3 2,-0.4 39,-0.2 39,-0.1 -0.811 24.7-126.9-132.0 177.8 -6.1 2.2 -11.8 48 48 A W - 0 0 0 -2,-0.3 36,-2.2 37,-0.2 2,-0.4 -0.986 31.5-179.9-130.7 120.2 -4.6 0.8 -14.9 49 49 A V E -EF 83 111C 0 62,-2.2 62,-1.8 -2,-0.4 2,-0.4 -0.974 12.0-155.9-130.2 132.3 -0.9 1.7 -15.4 50 50 A L E +EF 82 110C 0 32,-2.7 31,-2.4 -2,-0.4 32,-0.9 -0.939 26.6 138.8-113.8 132.3 1.5 0.7 -18.2 51 51 A S E - F 0 109C 0 58,-2.4 58,-2.8 -2,-0.4 29,-0.1 -0.935 55.4 -77.1-148.9 174.7 5.3 0.5 -18.0 52 52 A T E > - F 0 108C 24 27,-0.4 4,-1.0 -2,-0.3 56,-0.2 -0.387 48.1-111.5 -64.1 159.2 8.2 -1.7 -19.2 53 53 A A H >> S+ 0 0 43 54,-2.4 3,-0.9 1,-0.2 4,-0.5 0.930 119.2 52.7 -57.5 -42.6 8.6 -4.8 -17.2 54 54 A A H 34 S+ 0 0 92 53,-0.3 4,-0.4 1,-0.3 3,-0.2 0.812 110.0 47.4 -65.6 -34.2 11.9 -3.4 -15.8 55 55 A D H 3> S+ 0 0 58 -3,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.577 87.7 87.9 -81.8 -14.3 10.3 -0.2 -14.7 56 56 A M H S+ 0 0 18 -4,-0.4 4,-2.7 2,-0.2 5,-0.3 0.893 113.0 51.5 -66.5 -44.5 10.0 1.4 -9.2 59 59 A V H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 15,-0.3 0.928 114.7 44.4 -56.8 -45.4 6.6 2.8 -10.6 60 60 A V H X S+ 0 0 13 -4,-3.0 4,-3.2 -5,-0.2 5,-0.3 0.935 113.1 50.9 -65.0 -48.0 4.8 0.6 -7.9 61 61 A T H X S+ 0 0 76 -4,-2.9 4,-1.1 -5,-0.3 -2,-0.2 0.953 118.9 35.7 -58.7 -51.1 7.2 1.5 -5.1 62 62 A D H < S+ 0 0 57 -4,-2.7 4,-0.4 2,-0.2 -1,-0.2 0.813 117.9 53.5 -73.7 -30.9 6.9 5.3 -5.7 63 63 A G H >X S+ 0 0 0 -4,-2.1 3,-1.5 -5,-0.3 4,-0.5 0.942 106.9 49.3 -67.2 -51.7 3.2 5.1 -6.7 64 64 A M H >< S+ 0 0 73 -4,-3.2 3,-0.5 1,-0.3 -1,-0.2 0.819 111.6 51.7 -58.5 -32.3 2.1 3.3 -3.5 65 65 A A T 3< S+ 0 0 87 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.607 94.9 73.9 -75.2 -16.8 4.0 5.9 -1.5 66 66 A S T <4 S- 0 0 31 -3,-1.5 4,-0.2 -4,-0.4 -1,-0.2 0.708 94.5-136.2 -81.8 -15.3 2.3 8.8 -3.3 67 67 A G X<> - 0 0 27 -3,-0.5 5,-2.4 -4,-0.5 3,-1.4 0.105 26.6 -67.4 86.5 164.6 -1.1 8.4 -1.6 68 68 A L G > 5S+ 0 0 35 1,-0.3 3,-2.0 3,-0.2 -1,-0.1 0.851 125.6 60.6 -55.5 -43.8 -4.8 8.5 -2.6 69 69 A D G 3 5S+ 0 0 46 1,-0.3 -1,-0.3 2,-0.1 101,-0.2 0.679 108.1 45.5 -68.1 -13.3 -4.7 12.2 -3.4 70 70 A K G X 5S- 0 0 111 -3,-1.4 3,-1.5 -4,-0.2 -1,-0.3 0.069 116.8-111.8-109.7 18.6 -2.1 11.5 -6.1 71 71 A D T < 5 - 0 0 8 -3,-2.0 -3,-0.2 1,-0.3 42,-0.2 0.742 64.9 -73.6 54.6 26.2 -3.9 8.4 -7.5 72 72 A Y T 3 - 0 0 77 -2,-0.4 3,-1.6 -15,-0.3 -11,-0.1 -0.541 46.4-108.4 -60.9 122.9 4.5 9.5 -8.5 75 75 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 145,-0.1 -0.292 99.3 6.9 -54.9 134.9 3.8 12.9 -10.1 76 76 A D T 3 S+ 0 0 146 1,-0.2 2,-0.7 143,-0.1 -2,-0.0 0.707 82.6 174.1 67.4 23.4 5.5 13.3 -13.5 77 77 A D X - 0 0 16 -3,-1.6 3,-1.7 1,-0.2 -1,-0.2 -0.481 19.0-163.0 -68.7 106.2 6.8 9.7 -13.5 78 78 A S T 3 S+ 0 0 117 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.595 83.6 67.3 -68.6 -14.0 8.4 9.3 -16.9 79 79 A R T 3 S+ 0 0 53 -24,-0.1 2,-0.9 -28,-0.1 -27,-0.4 0.597 77.7 91.5 -76.9 -18.4 8.3 5.5 -16.6 80 80 A V < - 0 0 22 -3,-1.7 -29,-0.2 1,-0.2 3,-0.1 -0.736 56.0-173.5 -85.9 109.2 4.6 5.5 -16.8 81 81 A I - 0 0 53 -31,-2.4 2,-0.3 -2,-0.9 -1,-0.2 0.893 69.9 -17.5 -69.5 -39.4 3.8 5.1 -20.5 82 82 A A E -E 50 0C 9 -32,-0.9 -32,-2.7 -3,-0.1 -1,-0.3 -0.961 65.4-179.9-160.8 152.4 0.1 5.5 -19.9 83 83 A H E -E 49 0C 88 -2,-0.3 -34,-0.2 -34,-0.2 13,-0.1 -0.965 20.6-136.8-155.4 147.9 -2.4 5.4 -17.0 84 84 A T - 0 0 2 -36,-2.2 2,-0.1 -2,-0.3 11,-0.1 -0.334 43.0 -95.3 -79.2 176.7 -6.1 5.8 -16.3 85 85 A K - 0 0 31 -2,-0.1 2,-0.4 9,-0.1 -37,-0.2 -0.407 48.2 -87.9 -82.1 173.5 -7.1 7.8 -13.2 86 86 A L - 0 0 0 -39,-0.1 2,-0.4 -2,-0.1 -39,-0.2 -0.699 52.4-167.9 -81.3 132.9 -7.9 6.0 -10.0 87 87 A I B -H 46 0D 1 -41,-2.8 -41,-2.3 -2,-0.4 2,-0.1 -0.945 13.4-146.6-128.1 148.0 -11.6 4.9 -9.9 88 88 A G > - 0 0 1 -2,-0.4 3,-1.9 -43,-0.2 -53,-0.2 -0.414 52.4 -53.6 -95.1 179.6 -14.0 3.6 -7.2 89 89 A S T 3 S+ 0 0 26 -50,-2.2 -1,-0.2 1,-0.3 -48,-0.1 -0.225 125.6 17.1 -54.5 138.8 -16.8 1.1 -7.6 90 90 A G T 3 S+ 0 0 58 -55,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.341 102.6 112.7 81.8 -3.3 -19.3 2.1 -10.3 91 91 A E < - 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