==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 03-AUG-06 2HX9 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.J.BANFIELD . 249 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 20.1 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 0 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 3 A a 0 0 92 0, 0.0 27,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 30.6 -4.7 -13.8 -5.1 2 4 A S E -a 28 0A 72 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.984 360.0-161.7-147.8 160.1 -2.3 -11.8 -3.0 3 5 A V E -a 29 0A 36 25,-2.2 27,-2.6 -2,-0.3 2,-0.5 -0.993 14.2-140.9-143.6 140.3 -0.5 -8.5 -3.0 4 6 A D E -a 30 0A 116 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.916 25.3-173.8-100.3 129.6 2.6 -7.3 -1.1 5 7 A I E -a 31 0A 0 25,-2.8 27,-2.5 -2,-0.5 2,-0.4 -0.977 11.4-158.0-128.4 137.8 2.4 -3.7 0.1 6 8 A Q E -a 32 0A 88 -2,-0.4 8,-1.7 25,-0.2 2,-0.5 -0.917 2.6-163.3-110.8 138.6 4.9 -1.4 1.9 7 9 A G B -C 13 0B 0 25,-2.3 6,-0.2 -2,-0.4 2,-0.1 -0.992 23.3-161.4-113.9 129.2 4.1 1.7 4.0 8 10 A N > - 0 0 37 4,-2.2 3,-1.6 -2,-0.5 4,-0.2 -0.341 36.8 -89.4-107.7-177.4 7.2 3.9 4.4 9 11 A D T 3 S+ 0 0 13 1,-0.3 26,-0.1 2,-0.1 -1,-0.0 0.613 121.6 63.0 -67.8 -10.2 8.5 6.7 6.7 10 12 A Q T 3 S- 0 0 113 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.187 116.5-108.5 -97.2 15.3 6.9 9.2 4.3 11 13 A M S < S+ 0 0 21 -3,-1.6 2,-0.4 1,-0.2 -2,-0.1 0.871 77.3 130.7 58.4 40.9 3.3 8.0 4.9 12 14 A Q - 0 0 105 -4,-0.2 -4,-2.2 106,-0.1 2,-0.3 -0.987 51.2-146.0-123.2 138.5 3.1 6.4 1.5 13 15 A F B -C 7 0B 24 -2,-0.4 -6,-0.2 -6,-0.2 106,-0.1 -0.692 24.7-126.7 -81.9 153.2 2.0 3.0 0.3 14 16 A N S S+ 0 0 89 -8,-1.7 2,-0.3 -2,-0.3 -7,-0.1 0.147 93.8 40.9 -91.2 18.8 3.9 1.6 -2.7 15 17 A T - 0 0 43 -9,-0.2 -2,-0.1 104,-0.0 3,-0.1 -0.952 53.3-174.8-148.3 148.7 0.7 1.0 -4.6 16 18 A N S S+ 0 0 118 -2,-0.3 105,-2.2 1,-0.2 2,-0.3 0.266 74.9 52.6-125.2 14.7 -2.5 3.0 -4.9 17 19 A A E -d 121 0C 54 103,-0.2 2,-0.5 90,-0.0 -1,-0.2 -0.871 60.3-170.2-149.0 116.5 -4.6 0.6 -6.9 18 20 A I E -d 122 0C 6 103,-3.1 105,-2.4 -2,-0.3 2,-0.5 -0.887 5.2-162.3-104.6 130.7 -5.3 -3.1 -6.1 19 21 A T E -d 123 0C 96 -2,-0.5 2,-0.6 103,-0.2 105,-0.2 -0.965 5.0-158.2-111.5 121.1 -7.1 -5.4 -8.5 20 22 A V E -d 124 0C 0 103,-3.2 105,-2.6 -2,-0.5 2,-0.1 -0.897 23.0-123.9 -98.6 117.6 -8.5 -8.6 -7.1 21 23 A D > - 0 0 86 -2,-0.6 3,-1.9 103,-0.2 103,-0.0 -0.397 14.0-130.2 -60.1 132.4 -9.0 -11.3 -9.8 22 24 A K T 3 S+ 0 0 61 103,-2.9 -1,-0.1 1,-0.3 102,-0.0 0.751 104.9 63.7 -55.8 -28.9 -12.6 -12.5 -10.0 23 25 A S T 3 S+ 0 0 104 102,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.676 79.0 106.6 -73.7 -17.5 -11.4 -16.1 -9.8 24 26 A a < - 0 0 9 -3,-1.9 3,-0.1 1,-0.1 73,-0.0 -0.397 48.6-169.2 -63.2 129.7 -10.0 -15.7 -6.3 25 27 A K S S+ 0 0 153 1,-0.2 72,-2.5 -2,-0.2 73,-0.6 0.884 82.0 15.7 -78.9 -44.1 -11.9 -17.3 -3.4 26 28 A Q E S- B 0 96A 69 70,-0.3 2,-0.4 71,-0.1 -1,-0.2 -0.882 71.1-151.9-123.2 156.1 -9.7 -15.4 -0.8 27 29 A F E - B 0 95A 7 68,-2.3 68,-2.2 -2,-0.3 2,-0.4 -0.993 10.0-156.7-132.2 139.7 -7.4 -12.5 -1.2 28 30 A T E -aB 2 94A 32 -27,-1.8 -25,-2.2 -2,-0.4 2,-0.5 -0.970 5.9-160.3-122.2 132.0 -4.4 -11.8 1.0 29 31 A V E -aB 3 93A 0 64,-2.8 64,-1.9 -2,-0.4 2,-0.7 -0.957 5.4-161.5-107.8 122.9 -2.6 -8.5 1.8 30 32 A N E -aB 4 92A 47 -27,-2.6 -25,-2.8 -2,-0.5 2,-0.4 -0.904 15.0-166.1-105.6 102.6 1.0 -8.7 3.1 31 33 A L E +aB 5 91A 0 60,-2.9 60,-2.3 -2,-0.7 2,-0.3 -0.755 12.0 170.1 -92.6 134.5 1.9 -5.4 4.7 32 34 A S E -aB 6 90A 42 -27,-2.5 -25,-2.3 -2,-0.4 58,-0.2 -0.855 24.4-138.1-134.4 177.0 5.4 -4.4 5.6 33 35 A H - 0 0 3 56,-0.9 55,-2.1 -2,-0.3 56,-0.2 -0.712 11.6-167.4-143.1 82.9 7.1 -1.2 6.8 34 36 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.348 52.5 66.2 -59.8 157.8 10.5 -0.1 5.4 35 37 A G S S- 0 0 47 -27,-0.2 -2,-0.1 1,-0.1 208,-0.1 -0.805 85.3 -91.2 124.5-166.7 12.0 2.7 7.4 36 38 A N S S+ 0 0 106 -2,-0.3 206,-0.1 51,-0.1 -1,-0.1 -0.219 78.9 104.2-145.7 41.0 13.4 3.3 10.9 37 39 A L - 0 0 1 5,-0.2 50,-2.7 -3,-0.1 203,-0.1 -0.986 64.2-118.6-128.6 141.1 10.5 4.6 13.1 38 40 A P >> - 0 0 37 0, 0.0 4,-2.7 0, 0.0 3,-2.1 -0.308 31.3-102.5 -77.5 167.0 8.5 2.6 15.7 39 41 A K H 3> S+ 0 0 84 1,-0.3 4,-0.7 2,-0.2 46,-0.1 0.782 119.9 57.9 -58.4 -31.6 4.8 1.9 15.6 40 42 A N H 34 S+ 0 0 42 2,-0.2 -1,-0.3 1,-0.1 154,-0.2 0.400 117.1 33.0 -84.2 6.2 4.0 4.7 18.2 41 43 A V H <4 S+ 0 0 15 -3,-2.1 -2,-0.2 152,-0.1 -1,-0.1 0.657 141.8 4.4-119.2 -51.0 5.6 7.3 15.9 42 44 A M H < S+ 0 0 0 -4,-2.7 2,-0.3 197,-0.1 -2,-0.2 -0.570 80.9 164.1-138.7 68.8 4.9 6.2 12.4 43 45 A G < - 0 0 4 -4,-0.7 2,-0.4 43,-0.1 43,-0.2 -0.676 16.0-162.6 -90.3 147.2 2.7 3.1 12.6 44 46 A H B +H 85 0D 0 41,-2.3 41,-3.0 -2,-0.3 2,-0.3 -0.956 11.8 177.6-127.1 143.4 0.8 1.9 9.5 45 47 A N - 0 0 0 -2,-0.4 2,-0.4 39,-0.2 39,-0.1 -0.826 25.8-128.5-124.6-179.5 -2.2 -0.4 9.0 46 48 A W + 0 0 0 -2,-0.3 36,-2.2 37,-0.2 2,-0.4 -0.993 30.9 178.2-131.3 125.9 -4.1 -1.5 5.9 47 49 A V E -EF 81 109C 0 62,-2.2 62,-2.0 -2,-0.4 2,-0.4 -0.965 13.6-155.4-135.9 136.9 -7.9 -1.1 6.1 48 50 A L E +EF 80 108C 0 32,-2.3 31,-2.4 -2,-0.4 32,-0.9 -0.964 26.6 140.3-120.7 132.5 -10.5 -1.9 3.5 49 51 A S E - F 0 107C 0 58,-2.3 58,-2.7 -2,-0.4 29,-0.1 -0.925 55.7 -75.4-149.0 172.4 -14.1 -0.3 3.3 50 52 A T E > - F 0 106C 25 27,-0.4 4,-1.1 -2,-0.3 3,-0.4 -0.381 48.2-111.6 -60.3 155.8 -16.5 1.0 0.7 51 53 A A T >4 S+ 0 0 47 54,-3.0 3,-0.6 1,-0.2 4,-0.5 0.918 120.1 54.6 -56.4 -38.1 -15.6 4.4 -0.7 52 54 A A T 34 S+ 0 0 87 53,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.800 109.6 45.5 -66.2 -31.6 -18.7 5.8 1.1 53 55 A D T 3> S+ 0 0 58 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.583 88.4 89.9 -90.9 -11.2 -17.6 4.4 4.5 54 56 A M H S+ 0 0 113 -4,-0.5 4,-2.8 -3,-0.2 -1,-0.2 0.907 114.3 45.8 -58.4 -43.4 -14.3 8.9 6.0 56 58 A G H > S+ 0 0 24 -4,-0.3 4,-2.5 2,-0.2 5,-0.3 0.877 111.9 51.2 -68.3 -40.6 -16.3 7.6 9.0 57 59 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 15,-0.3 0.940 114.3 44.9 -60.8 -46.5 -13.9 4.6 9.5 58 60 A V H X S+ 0 0 8 -4,-2.7 4,-3.2 -5,-0.2 5,-0.3 0.954 115.0 46.3 -62.1 -52.9 -10.9 7.0 9.5 59 61 A T H X S+ 0 0 77 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.953 118.8 40.4 -55.0 -50.2 -12.5 9.6 11.8 60 62 A D H X S+ 0 0 57 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.859 116.5 51.7 -72.7 -33.4 -13.8 7.1 14.3 61 63 A G H X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.3 3,-0.4 0.936 108.7 48.9 -67.2 -49.2 -10.6 5.1 14.1 62 64 A M H >< S+ 0 0 53 -4,-3.2 3,-0.8 1,-0.2 -2,-0.2 0.926 111.0 51.7 -54.0 -43.7 -8.3 8.1 14.7 63 65 A A H 3< S+ 0 0 90 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.804 101.9 60.8 -65.5 -28.8 -10.5 9.0 17.7 64 66 A S H 3< S- 0 0 35 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.741 102.0-155.3 -71.8 -26.1 -10.1 5.4 19.1 65 67 A G X<> - 0 0 19 -4,-1.1 5,-2.5 -3,-0.8 3,-1.9 0.131 27.7 -47.7 85.6 172.4 -6.4 6.0 19.3 66 68 A L G > 5S+ 0 0 64 1,-0.3 3,-2.3 3,-0.2 -1,-0.2 0.851 126.1 59.5 -47.9 -48.6 -3.1 4.0 19.3 67 69 A D G 3 5S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.594 108.9 46.0 -66.8 -9.3 -4.2 1.4 21.9 68 70 A K G X 5S- 0 0 118 -3,-1.9 3,-1.2 -7,-0.1 -1,-0.3 0.123 119.6-108.8-112.8 20.5 -7.1 0.4 19.5 69 71 A D T < 5 - 0 0 48 -3,-2.3 -3,-0.2 1,-0.3 42,-0.2 0.803 67.4 -70.9 54.5 32.3 -4.8 0.3 16.4 70 72 A Y T 3 - 0 0 81 -2,-0.4 3,-1.6 -15,-0.3 -11,-0.1 -0.507 52.1 -97.3 -63.1 130.1 -13.3 1.8 16.2 73 75 A P T 3 S- 0 0 79 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.253 100.2 -4.5 -51.4 133.5 -13.8 -1.5 18.0 74 76 A D T 3 S- 0 0 164 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.727 85.0-172.9 59.7 28.8 -15.9 -4.1 16.0 75 77 A D X - 0 0 14 -3,-1.6 3,-1.6 1,-0.2 -1,-0.2 -0.345 16.6-157.1 -61.9 113.5 -16.5 -1.5 13.3 76 78 A S T 3 S+ 0 0 117 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.634 88.4 64.2 -63.9 -15.6 -19.0 -3.2 10.8 77 79 A R T 3 S+ 0 0 45 -24,-0.1 2,-0.9 -28,-0.1 -27,-0.4 0.604 79.8 92.3 -84.7 -16.5 -17.8 -0.9 8.0 78 80 A V < - 0 0 24 -3,-1.6 -29,-0.2 1,-0.2 3,-0.1 -0.734 54.1-173.8 -85.0 109.5 -14.3 -2.4 8.0 79 81 A I S S- 0 0 39 -31,-2.4 2,-0.3 -2,-0.9 -1,-0.2 0.894 70.3 -18.3 -68.0 -42.8 -14.3 -5.2 5.5 80 82 A A E +E 48 0C 8 -32,-0.9 -32,-2.3 15,-0.1 2,-0.3 -0.964 68.1 178.4-158.3 153.1 -10.8 -6.4 6.4 81 83 A H E -E 47 0C 91 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.984 20.6-134.9-157.1 153.9 -7.8 -4.9 8.2 82 84 A T - 0 0 1 -36,-2.2 2,-0.1 -2,-0.3 11,-0.1 -0.492 38.9 -97.7 -89.0 173.3 -4.2 -5.7 9.3 83 85 A K - 0 0 114 -2,-0.2 2,-0.4 9,-0.1 -37,-0.2 -0.367 51.0 -85.3 -75.1 171.9 -2.8 -4.8 12.8 84 86 A L - 0 0 1 -39,-0.1 2,-0.4 -18,-0.1 -39,-0.2 -0.683 52.0-163.9 -80.1 131.0 -0.8 -1.6 13.2 85 87 A I B -H 44 0D 2 -41,-3.0 -41,-2.3 -2,-0.4 2,-0.2 -0.933 12.6-152.6-123.2 144.9 2.9 -2.1 12.4 86 88 A G > - 0 0 2 -2,-0.4 3,-1.9 -43,-0.2 -53,-0.2 -0.476 52.5 -54.9 -98.2-179.4 6.1 -0.2 13.0 87 89 A S T 3 S+ 0 0 32 -50,-2.7 -1,-0.2 1,-0.3 -48,-0.1 -0.199 126.0 17.3 -60.0 143.2 9.3 -0.3 10.9 88 90 A G T 3 S+ 0 0 79 -55,-2.1 -1,-0.3 1,-0.3 2,-0.2 0.468 105.2 109.2 73.0 1.0 10.7 -3.8 10.3 89 91 A E < - 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