==== 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 2GI0 . 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) . 12396.0 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 . 16 6.2 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 . 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 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 0 119 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-143.6 -13.1 -1.9 -31.7 2 2 A E T 3 + 0 0 127 1,-0.3 21,-0.4 20,-0.0 24,-0.1 0.835 360.0 51.4 -60.3 -33.6 -9.8 -3.7 -32.6 3 3 A a T 3 S+ 0 0 45 19,-0.1 27,-1.8 26,-0.1 2,-0.3 -0.062 103.7 66.2-101.6 33.7 -7.6 -1.0 -30.9 4 4 A S E < -a 30 0A 38 -3,-1.4 2,-0.3 25,-0.2 27,-0.2 -0.980 55.3-167.5-142.4 162.9 -9.4 -1.0 -27.5 5 5 A V E -a 31 0A 42 25,-2.2 27,-2.9 -2,-0.3 2,-0.4 -0.992 15.8-137.1-147.7 146.1 -9.9 -3.3 -24.6 6 6 A D E -a 32 0A 112 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.889 24.1-178.1-102.2 135.2 -12.3 -3.3 -21.6 7 7 A I E -a 33 0A 0 25,-2.8 27,-1.9 -2,-0.4 2,-0.4 -0.976 10.5-154.1-135.8 144.4 -10.9 -4.3 -18.2 8 8 A Q E -a 34 0A 87 -2,-0.4 8,-1.6 25,-0.2 2,-0.5 -0.952 5.6-164.0-117.8 141.6 -12.5 -4.6 -14.8 9 9 A G B -C 15 0B 0 25,-2.4 6,-0.2 -2,-0.4 2,-0.1 -0.992 22.4-163.9-118.8 125.3 -11.1 -4.3 -11.3 10 10 A N > - 0 0 35 4,-1.9 3,-1.4 -2,-0.5 4,-0.3 -0.317 37.2 -91.1-105.3-177.3 -13.4 -5.8 -8.6 11 11 A D T 3 S+ 0 0 29 1,-0.3 26,-0.1 25,-0.1 -1,-0.0 0.666 119.8 62.2 -68.5 -14.0 -13.7 -5.6 -4.8 12 12 A Q T 3 S- 0 0 124 2,-0.1 -1,-0.3 32,-0.0 25,-0.0 0.185 118.3-104.8 -97.6 16.3 -11.4 -8.7 -4.4 13 13 A M S < S+ 0 0 58 -3,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.935 76.5 136.5 63.4 45.4 -8.4 -7.0 -6.0 14 14 A Q - 0 0 109 -4,-0.3 -4,-1.9 107,-0.1 2,-0.3 -0.988 45.9-152.8-123.4 130.6 -8.7 -8.9 -9.3 15 15 A F B -C 9 0B 23 -2,-0.4 -6,-0.2 105,-0.4 107,-0.1 -0.791 27.1-126.9 -83.8 150.8 -8.4 -7.7 -12.8 16 16 A N S S+ 0 0 92 -8,-1.6 2,-0.3 -2,-0.3 -7,-0.1 0.319 89.6 34.5 -85.5 8.0 -10.4 -9.8 -15.2 17 17 A T - 0 0 46 -9,-0.2 3,-0.1 105,-0.0 -2,-0.1 -0.970 52.1-165.7-149.9 153.4 -7.5 -10.5 -17.5 18 18 A N S S+ 0 0 115 -2,-0.3 106,-2.0 1,-0.2 2,-0.3 0.202 79.0 52.6-118.4 13.5 -3.7 -11.0 -17.0 19 19 A A E -d 124 0C 50 104,-0.3 2,-0.4 90,-0.0 -1,-0.2 -0.935 57.9-171.8-154.6 121.7 -2.7 -10.5 -20.7 20 20 A I E -d 125 0C 7 104,-2.9 106,-2.2 -2,-0.3 2,-0.4 -0.955 8.6-158.9-114.2 131.1 -3.5 -7.8 -23.2 21 21 A T E -d 126 0C 102 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.957 5.3-163.7-108.1 130.5 -2.6 -8.1 -26.9 22 22 A V E -d 127 0C 0 104,-2.9 106,-2.3 -2,-0.4 2,-0.3 -0.975 25.2-121.5-117.5 125.0 -2.3 -4.9 -29.0 23 23 A D > - 0 0 41 -2,-0.5 3,-2.1 -21,-0.4 104,-0.1 -0.467 21.5-138.3 -61.5 123.1 -2.4 -5.2 -32.8 24 24 A K T 3 S+ 0 0 106 104,-3.2 -1,-0.2 1,-0.3 80,-0.1 0.611 99.7 62.3 -66.0 -13.6 1.0 -3.6 -33.8 25 25 A S T 3 S+ 0 0 91 103,-0.3 -1,-0.3 3,-0.0 2,-0.1 0.569 76.5 109.7 -87.2 -11.3 -0.7 -1.7 -36.7 26 26 A a < - 0 0 10 -3,-2.1 3,-0.1 1,-0.1 73,-0.0 -0.442 58.6-153.6 -60.9 133.9 -3.0 0.3 -34.3 27 27 A K S S+ 0 0 103 1,-0.1 72,-1.5 -2,-0.1 73,-0.6 0.892 81.1 10.7 -74.4 -38.4 -2.0 4.0 -34.3 28 28 A Q E - B 0 98A 119 70,-0.2 2,-0.4 71,-0.2 70,-0.2 -0.858 69.1-149.9-132.7 163.2 -3.5 4.4 -30.8 29 29 A F E - B 0 97A 3 68,-2.3 68,-2.3 -2,-0.3 2,-0.4 -0.996 8.8-156.9-139.0 142.1 -4.8 2.0 -28.1 30 30 A T E -aB 4 96A 30 -27,-1.8 -25,-2.2 -2,-0.4 2,-0.5 -0.966 4.3-160.2-123.4 135.5 -7.6 2.6 -25.5 31 31 A V E -aB 5 95A 0 64,-2.6 64,-1.9 -2,-0.4 2,-0.7 -0.965 7.8-157.2-114.4 125.6 -8.2 0.8 -22.2 32 32 A N E -aB 6 94A 47 -27,-2.9 -25,-2.8 -2,-0.5 2,-0.4 -0.906 15.6-164.4-106.1 104.6 -11.7 1.2 -20.8 33 33 A L E +aB 7 93A 3 60,-3.2 60,-2.3 -2,-0.7 2,-0.3 -0.760 13.3 168.8 -95.7 137.3 -11.5 0.6 -17.0 34 34 A S E -aB 8 92A 34 -27,-1.9 -25,-2.4 -2,-0.4 58,-0.2 -0.905 25.1-138.9-139.0 171.0 -14.5 -0.1 -14.8 35 35 A H - 0 0 3 56,-1.0 55,-2.5 -2,-0.3 56,-0.2 -0.745 12.1-166.6-140.7 85.9 -15.0 -1.3 -11.2 36 36 A P + 0 0 51 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.304 56.8 55.6 -60.3 159.6 -17.7 -3.8 -10.3 37 37 A G S S- 0 0 39 -27,-0.2 -2,-0.1 1,-0.1 53,-0.1 -0.621 87.6 -95.7 107.2-170.6 -18.5 -4.1 -6.6 38 38 A N S S+ 0 0 149 -2,-0.2 -1,-0.1 51,-0.1 -28,-0.0 0.377 72.1 122.2-130.1 6.7 -19.5 -1.5 -4.0 39 39 A L - 0 0 60 -3,-0.2 50,-2.3 5,-0.1 2,-0.0 -0.536 60.1-120.2 -81.5 140.7 -16.3 -0.4 -2.3 40 40 A P >> - 0 0 60 0, 0.0 4,-2.6 0, 0.0 3,-2.2 -0.281 25.6-103.4 -79.6 165.1 -15.5 3.3 -2.5 41 41 A K H 3> S+ 0 0 11 1,-0.3 4,-1.6 2,-0.2 46,-0.1 0.804 118.3 58.9 -59.4 -35.4 -12.3 4.7 -4.0 42 42 A N H 34 S+ 0 0 85 2,-0.2 -1,-0.3 1,-0.2 26,-0.1 0.536 118.8 29.9 -73.1 -5.4 -10.6 5.4 -0.7 43 43 A V H <4 S+ 0 0 83 -3,-2.2 -2,-0.2 0, 0.0 -1,-0.2 0.690 141.1 8.9-114.4 -40.1 -10.8 1.7 0.2 44 44 A M H < S+ 0 0 22 -4,-2.6 -3,-0.2 2,-0.1 -2,-0.2 -0.101 77.6 156.2-143.8 36.8 -10.6 -0.2 -3.1 45 45 A G < - 0 0 4 -4,-1.6 2,-0.4 -5,-0.2 43,-0.2 -0.344 22.4-163.6 -64.8 144.2 -9.8 2.3 -5.8 46 46 A H B -H 87 0D 1 41,-2.4 41,-2.9 -37,-0.1 2,-0.3 -0.986 11.1-176.6-125.3 148.6 -8.1 0.7 -8.9 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.2 39,-0.1 -0.820 24.3-128.5-124.2 177.5 -6.1 2.2 -11.7 48 48 A W - 0 0 0 37,-0.3 36,-2.2 -2,-0.3 2,-0.4 -0.994 31.5-178.2-124.3 121.8 -4.6 0.7 -14.9 49 49 A V E -EF 83 111C 0 62,-2.3 62,-1.8 -2,-0.5 2,-0.4 -0.980 11.4-155.9-128.2 136.6 -0.9 1.6 -15.3 50 50 A L E +EF 82 110C 0 32,-2.6 31,-2.2 -2,-0.4 32,-1.0 -0.936 27.0 136.6-116.3 131.2 1.5 0.7 -18.2 51 51 A S E - F 0 109C 0 58,-2.2 58,-2.9 -2,-0.4 29,-0.1 -0.953 56.6 -74.8-150.9 173.5 5.3 0.5 -18.1 52 52 A T E > - F 0 108C 25 27,-0.4 4,-1.0 -2,-0.3 56,-0.2 -0.335 48.3-112.1 -60.5 155.5 8.2 -1.7 -19.2 53 53 A A H >> S+ 0 0 44 54,-2.3 3,-0.8 1,-0.2 4,-0.5 0.931 119.9 52.9 -51.4 -45.4 8.6 -4.9 -17.2 54 54 A A H 34 S+ 0 0 91 53,-0.3 4,-0.4 1,-0.3 3,-0.3 0.814 109.3 47.2 -65.0 -34.4 11.9 -3.4 -15.9 55 55 A D H 3> S+ 0 0 59 1,-0.2 4,-2.4 -3,-0.1 -1,-0.3 0.599 88.1 88.1 -84.6 -14.1 10.3 -0.2 -14.7 56 56 A M H S+ 0 0 18 -4,-0.4 4,-2.5 2,-0.2 5,-0.3 0.903 113.7 51.7 -68.6 -43.1 10.0 1.4 -9.3 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 15,-0.3 0.922 114.2 44.6 -56.4 -45.2 6.7 2.8 -10.6 60 60 A V H X S+ 0 0 12 -4,-3.0 4,-3.2 -5,-0.2 5,-0.3 0.934 112.4 51.5 -62.9 -52.6 4.9 0.6 -8.0 61 61 A T H X S+ 0 0 80 -4,-2.9 4,-1.1 -5,-0.3 -2,-0.2 0.943 119.2 34.5 -51.8 -52.7 7.2 1.5 -5.1 62 62 A D H < S+ 0 0 54 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.772 117.7 55.5 -74.5 -31.4 6.9 5.3 -5.7 63 63 A G H >< S+ 0 0 0 -4,-2.0 3,-1.5 -5,-0.3 4,-0.4 0.944 106.5 46.7 -67.6 -53.3 3.3 5.1 -6.7 64 64 A M H >< S+ 0 0 69 -4,-3.2 3,-0.6 1,-0.3 -1,-0.2 0.809 111.2 55.5 -67.1 -20.4 2.0 3.3 -3.7 65 65 A A T 3< S+ 0 0 86 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.643 93.1 73.5 -72.2 -18.5 4.0 5.9 -1.5 66 66 A S T < S- 0 0 30 -3,-1.5 4,-0.2 -4,-0.5 -1,-0.2 0.633 95.0-134.4 -83.0 -12.4 2.3 8.8 -3.2 67 67 A G X > - 0 0 28 -3,-0.6 5,-2.5 -4,-0.4 3,-1.4 0.136 27.9 -67.8 80.7 162.6 -1.1 8.4 -1.5 68 68 A L G > 5S+ 0 0 35 1,-0.3 3,-1.9 3,-0.2 -1,-0.1 0.867 126.0 61.0 -53.0 -41.4 -4.8 8.5 -2.5 69 69 A D G 3 5S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.1 148,-0.2 0.675 107.3 45.1 -70.1 -15.5 -4.7 12.2 -3.4 70 70 A K G X 5S- 0 0 117 -3,-1.4 3,-1.6 -4,-0.2 -1,-0.3 0.021 116.4-111.1-108.0 21.9 -2.1 11.5 -6.1 71 71 A D T < 5 - 0 0 7 -3,-1.9 -3,-0.2 1,-0.2 42,-0.2 0.772 64.3 -74.8 53.0 25.5 -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 -0.557 46.7-107.1 -62.4 124.6 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 -0.315 99.9 5.9 -55.0 132.6 3.7 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 0.743 82.5 174.1 69.8 22.8 5.5 13.3 -13.5 77 77 A D X - 0 0 14 -3,-1.6 3,-1.6 1,-0.2 -1,-0.2 -0.510 19.2-161.4 -67.9 109.5 6.8 9.7 -13.4 78 78 A S T 3 S+ 0 0 119 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.657 84.2 67.1 -68.3 -14.1 8.5 9.3 -16.9 79 79 A R T 3 S+ 0 0 52 -24,-0.1 2,-1.0 -28,-0.1 -27,-0.4 0.641 77.3 91.8 -79.1 -18.8 8.4 5.5 -16.6 80 80 A V < - 0 0 23 -3,-1.6 -29,-0.2 1,-0.2 3,-0.1 -0.723 55.9-173.2 -83.6 106.2 4.6 5.5 -16.8 81 81 A I S S- 0 0 52 -31,-2.2 2,-0.3 -2,-1.0 -1,-0.2 0.907 70.5 -19.2 -65.4 -39.8 3.8 5.0 -20.5 82 82 A A E -E 50 0C 9 -32,-1.0 -32,-2.6 -3,-0.1 2,-0.3 -0.972 65.2-178.2-163.0 153.9 0.1 5.5 -19.9 83 83 A H E -E 49 0C 87 -2,-0.3 -34,-0.2 -34,-0.2 13,-0.1 -0.967 20.4-135.0-157.3 146.5 -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 -0.333 43.4 -94.8 -77.0 175.8 -6.1 5.8 -16.2 85 85 A K - 0 0 31 -2,-0.1 2,-0.5 1,-0.1 -37,-0.3 -0.348 49.5 -87.8 -77.6 172.7 -7.2 7.7 -13.2 86 86 A L - 0 0 0 -39,-0.1 2,-0.4 -18,-0.1 -39,-0.2 -0.728 52.9-166.4 -80.6 131.1 -7.9 6.0 -9.9 87 87 A I B -H 46 0D 1 -41,-2.9 -41,-2.4 -2,-0.5 2,-0.1 -0.935 14.0-150.1-124.2 146.0 -11.6 4.8 -9.8 88 88 A G > - 0 0 2 -2,-0.4 3,-2.0 -43,-0.2 -53,-0.2 -0.437 52.6 -54.1 -94.8 179.6 -14.0 3.5 -7.1 89 89 A S T 3 S+ 0 0 28 -50,-2.3 -1,-0.2 1,-0.3 -48,-0.1 -0.176 124.8 18.0 -55.1 141.1 -16.9 1.1 -7.6 90 90 A G T 3 S+ 0 0 57 -55,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.340 102.0 113.6 81.6 -4.4 -19.4 2.0 -10.2 91 91 A E < - 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