==== 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 2HX7 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.J.BANFIELD . 252 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 19.8 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 . 12 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 11.1 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 0 0 0 2 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 91 0, 0.0 27,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 26.5 -4.6 -13.5 -5.0 2 4 A S E -a 28 0A 73 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.988 360.0-162.0-150.4 155.3 -2.2 -11.6 -2.7 3 5 A V E -a 29 0A 36 25,-2.2 27,-2.7 -2,-0.3 2,-0.5 -0.995 14.9-140.5-140.6 138.0 -0.3 -8.3 -2.6 4 6 A D E -a 30 0A 110 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.910 26.0-170.9 -94.7 125.6 2.7 -7.2 -0.5 5 7 A I E -a 31 0A 0 25,-3.1 27,-2.0 -2,-0.5 2,-0.4 -0.953 7.7-158.6-125.3 138.6 2.3 -3.6 0.7 6 8 A Q E -a 32 0A 97 -2,-0.4 8,-1.7 25,-0.2 2,-0.4 -0.934 5.0-165.5-113.5 137.1 4.9 -1.4 2.4 7 9 A G B -C 13 0B 0 25,-2.2 6,-0.2 -2,-0.4 37,-0.1 -0.996 21.7-159.5-120.0 131.5 4.3 1.7 4.6 8 10 A N > - 0 0 47 4,-2.2 3,-1.0 -2,-0.4 27,-0.1 -0.133 35.3 -86.3-106.4-171.8 7.4 3.8 5.2 9 11 A D T 3 S+ 0 0 14 1,-0.2 26,-0.1 2,-0.1 235,-0.0 0.563 120.0 58.4 -74.2 -5.4 8.7 6.4 7.6 10 12 A Q T 3 S- 0 0 59 2,-0.2 -1,-0.2 32,-0.0 3,-0.1 -0.027 118.7 -98.5-118.5 32.3 7.1 9.2 5.6 11 13 A M S < S+ 0 0 21 -3,-1.0 2,-0.4 1,-0.2 -2,-0.1 0.815 81.2 132.9 63.5 32.9 3.4 8.1 5.7 12 14 A Q - 0 0 118 106,-0.1 -4,-2.2 -4,-0.1 2,-0.3 -0.971 47.5-150.1-120.9 130.0 3.6 6.6 2.2 13 15 A F B -C 7 0B 25 -2,-0.4 -6,-0.2 -6,-0.2 106,-0.1 -0.667 27.5-123.7 -83.4 152.0 2.3 3.2 0.9 14 16 A N S S+ 0 0 89 -8,-1.7 2,-0.3 -2,-0.3 -7,-0.1 0.532 95.7 32.3 -75.1 -8.7 4.3 1.7 -2.0 15 17 A T - 0 0 39 -9,-0.3 -2,-0.1 1,-0.0 3,-0.1 -0.981 52.5-170.2-141.2 149.5 1.1 1.5 -4.1 16 18 A N S S+ 0 0 116 -2,-0.3 105,-2.3 1,-0.2 2,-0.3 0.180 79.2 56.1-118.6 15.3 -2.1 3.6 -4.3 17 19 A A E -d 121 0C 53 103,-0.3 2,-0.4 90,-0.0 -1,-0.2 -0.864 61.3-175.5-152.7 109.7 -4.0 1.2 -6.5 18 20 A I E -d 122 0C 7 103,-3.1 105,-2.2 -2,-0.3 2,-0.4 -0.882 8.4-158.3-106.2 138.1 -4.8 -2.5 -5.7 19 21 A T E -d 123 0C 92 -2,-0.4 2,-0.5 103,-0.2 105,-0.2 -0.963 1.0-159.6-116.2 132.7 -6.5 -4.8 -8.1 20 22 A V E -d 124 0C 0 103,-2.7 105,-2.3 -2,-0.4 2,-0.2 -0.963 24.2-125.1-110.6 119.0 -8.2 -8.0 -6.9 21 23 A D > - 0 0 89 -2,-0.5 3,-2.1 103,-0.2 103,-0.1 -0.468 14.3-135.4 -65.5 127.0 -8.8 -10.7 -9.6 22 24 A K T 3 S+ 0 0 62 103,-3.5 -1,-0.2 1,-0.3 102,-0.0 0.698 102.1 65.7 -60.5 -17.9 -12.5 -11.5 -9.7 23 25 A S T 3 S+ 0 0 101 102,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.656 79.6 102.5 -80.8 -14.8 -11.5 -15.3 -9.9 24 26 A a < - 0 0 9 -3,-2.1 3,-0.1 1,-0.1 73,-0.0 -0.481 55.6-162.2 -65.9 138.4 -9.9 -15.2 -6.4 25 27 A K S S+ 0 0 67 1,-0.3 72,-2.4 -2,-0.2 73,-0.6 0.857 81.2 13.2 -85.6 -39.9 -11.9 -16.7 -3.6 26 28 A Q E S- B 0 96A 96 70,-0.3 2,-0.4 71,-0.1 -1,-0.3 -0.914 70.6-149.3-129.6 161.2 -9.9 -14.9 -0.9 27 29 A F E - B 0 95A 7 68,-2.4 68,-2.5 -2,-0.3 2,-0.4 -0.989 9.4-156.6-134.3 139.6 -7.4 -12.1 -1.1 28 30 A T E -aB 2 94A 34 -27,-1.6 -25,-2.2 -2,-0.4 2,-0.5 -0.962 5.0-161.6-122.7 135.0 -4.4 -11.5 1.2 29 31 A V E -aB 3 93A 0 64,-2.8 64,-2.1 -2,-0.4 2,-0.7 -0.974 5.7-160.1-113.8 125.0 -2.5 -8.4 2.0 30 32 A N E -aB 4 92A 51 -27,-2.7 -25,-3.1 -2,-0.5 2,-0.4 -0.907 15.3-163.2-104.9 106.4 1.0 -8.7 3.5 31 33 A L E +aB 5 91A 2 60,-2.8 60,-2.2 -2,-0.7 2,-0.3 -0.765 14.6 167.4 -95.0 137.3 1.8 -5.4 5.2 32 34 A S E -aB 6 90A 43 -27,-2.0 -25,-2.2 -2,-0.4 58,-0.2 -0.854 26.5-138.2-140.4 172.2 5.4 -4.5 6.2 33 35 A H - 0 0 5 56,-0.7 55,-1.9 -2,-0.3 56,-0.2 -0.743 13.6-167.3-142.6 83.4 7.2 -1.3 7.4 34 36 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.291 54.9 55.0 -57.1 161.3 10.6 -0.4 5.9 35 37 A G S S- 0 0 37 -27,-0.1 -2,-0.1 1,-0.1 209,-0.1 -0.718 89.9 -84.8 108.6-161.3 12.3 2.3 7.8 36 38 A N S S+ 0 0 110 -2,-0.3 -1,-0.1 51,-0.1 207,-0.1 0.435 78.4 107.4-131.6 -4.4 13.3 2.9 11.4 37 39 A L - 0 0 0 -3,-0.2 50,-2.7 5,-0.1 204,-0.1 -0.652 60.7-127.9 -93.7 137.9 10.4 4.5 13.3 38 40 A P >> - 0 0 37 0, 0.0 4,-2.9 0, 0.0 3,-2.2 -0.254 29.7 -98.9 -80.1 171.3 8.4 2.5 15.9 39 41 A K H 3> S+ 0 0 80 1,-0.3 4,-0.9 2,-0.2 46,-0.1 0.715 119.3 59.0 -69.8 -20.6 4.6 2.1 15.9 40 42 A N H 34 S+ 0 0 38 2,-0.2 -1,-0.3 1,-0.1 154,-0.2 0.349 119.3 31.9 -84.5 4.3 4.0 4.8 18.6 41 43 A V H <4 S+ 0 0 13 -3,-2.2 -2,-0.2 152,-0.1 -1,-0.1 0.619 143.6 1.5-117.1 -48.7 5.7 7.3 16.3 42 44 A M H < S+ 0 0 0 -4,-2.9 2,-0.3 2,-0.0 -2,-0.2 -0.470 82.0 162.7-143.3 59.0 5.0 6.2 12.7 43 45 A G < - 0 0 4 -4,-0.9 2,-0.4 43,-0.1 43,-0.2 -0.621 16.8-162.8 -85.5 147.2 2.7 3.1 13.0 44 46 A H B -H 85 0D 1 41,-2.6 41,-2.9 -2,-0.3 2,-0.3 -0.967 12.4-178.6-129.5 142.7 0.7 1.9 10.0 45 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.3 39,-0.1 -0.801 25.7-128.1-120.4 174.7 -2.2 -0.3 9.5 46 48 A W + 0 0 0 -2,-0.3 36,-2.2 37,-0.3 2,-0.4 -0.986 32.3 178.2-123.8 120.3 -4.0 -1.4 6.3 47 49 A V E -EF 81 109C 0 62,-2.5 62,-1.9 -2,-0.5 2,-0.4 -0.954 13.3-155.9-128.0 138.0 -7.8 -0.9 6.4 48 50 A L E +EF 80 108C 0 32,-2.4 31,-2.4 -2,-0.4 32,-0.9 -0.961 26.7 139.5-119.6 133.3 -10.5 -1.6 3.8 49 51 A S E - F 0 107C 0 58,-2.2 58,-2.7 -2,-0.4 29,-0.1 -0.933 56.2 -77.5-151.9 173.2 -13.9 0.1 3.5 50 52 A T E > - F 0 106C 24 27,-0.4 4,-1.0 -2,-0.3 3,-0.3 -0.380 48.2-111.2 -65.9 158.9 -16.2 1.4 0.8 51 53 A A H >> S+ 0 0 33 54,-2.8 3,-0.7 1,-0.2 4,-0.5 0.918 119.4 54.2 -57.4 -38.8 -15.2 4.9 -0.4 52 54 A A H 34 S+ 0 0 90 53,-0.4 4,-0.3 1,-0.2 3,-0.2 0.809 110.7 45.0 -65.8 -33.5 -18.3 6.3 1.3 53 55 A D H 3> S+ 0 0 59 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.565 88.7 89.4 -86.3 -14.0 -17.4 4.8 4.7 54 56 A M H S+ 0 0 24 -4,-0.3 4,-2.9 1,-0.2 5,-0.3 0.907 111.4 52.1 -64.5 -44.3 -16.2 7.8 9.2 57 59 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 15,-0.3 0.927 113.7 44.8 -55.7 -45.4 -13.8 4.9 9.8 58 60 A V H X S+ 0 0 7 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.952 114.5 46.7 -66.7 -52.6 -10.8 7.3 9.9 59 61 A T H X S+ 0 0 76 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.943 118.0 41.6 -57.2 -48.4 -12.5 9.9 12.2 60 62 A D H X S+ 0 0 58 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.837 115.0 51.9 -71.7 -33.1 -13.8 7.3 14.7 61 63 A G H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.922 108.7 49.3 -65.5 -48.0 -10.6 5.3 14.6 62 64 A M H >< S+ 0 0 68 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.929 111.0 51.9 -55.8 -43.4 -8.4 8.4 15.3 63 65 A A H 3< S+ 0 0 87 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.838 103.7 56.6 -64.9 -33.9 -10.7 9.2 18.2 64 66 A S H 3< S- 0 0 32 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.764 103.3-160.3 -68.3 -28.2 -10.4 5.6 19.6 65 67 A G X<> - 0 0 18 -4,-1.3 5,-2.7 -3,-0.6 3,-1.8 0.063 29.6 -44.6 84.7 177.0 -6.7 6.2 19.7 66 68 A L G > 5S+ 0 0 59 1,-0.3 3,-2.0 3,-0.2 -1,-0.2 0.830 125.8 63.6 -55.8 -38.7 -3.3 4.3 19.9 67 69 A D G 3 5S+ 0 0 163 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.625 109.4 41.2 -66.4 -12.6 -4.6 1.9 22.6 68 70 A K G X 5S- 0 0 118 -3,-1.8 3,-1.1 -7,-0.1 -1,-0.3 0.171 119.3-107.6-115.8 19.9 -7.2 0.7 20.0 69 71 A D T < 5 - 0 0 44 -3,-2.0 -3,-0.2 1,-0.2 42,-0.2 0.795 69.9 -69.1 57.9 31.9 -4.8 0.6 17.0 70 72 A Y T 3 - 0 0 74 -2,-0.4 3,-1.1 -15,-0.3 -11,-0.1 -0.475 48.0-101.5 -66.1 129.6 -13.3 2.0 16.4 73 75 A P T 3 S- 0 0 78 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.256 98.9 -0.3 -55.4 143.2 -14.1 -1.3 18.2 74 76 A D T 3 S- 0 0 165 1,-0.2 2,-0.7 -3,-0.1 -2,-0.0 0.870 84.6-173.4 45.8 44.3 -16.3 -3.7 16.3 75 77 A D X - 0 0 15 -3,-1.1 3,-1.5 1,-0.2 -1,-0.2 -0.612 16.8-160.4 -75.2 112.3 -16.6 -1.3 13.4 76 78 A S T 3 S+ 0 0 117 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.595 87.1 63.0 -65.1 -17.6 -19.1 -2.7 10.9 77 79 A R T 3 S+ 0 0 44 -24,-0.1 2,-0.9 -28,-0.1 -27,-0.4 0.529 80.1 92.5 -83.7 -15.0 -17.8 -0.5 8.1 78 80 A V < - 0 0 22 -3,-1.5 -29,-0.2 1,-0.2 3,-0.1 -0.775 52.6-174.4 -89.0 107.7 -14.3 -2.1 8.1 79 81 A I S S- 0 0 39 -31,-2.4 2,-0.3 -2,-0.9 -1,-0.2 0.878 71.0 -17.2 -67.0 -40.0 -14.3 -4.9 5.6 80 82 A A E +E 48 0C 8 -32,-0.9 -32,-2.4 15,-0.1 2,-0.3 -0.963 67.5 176.5-161.4 150.6 -10.9 -6.1 6.6 81 83 A H E -E 47 0C 89 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.979 20.4-138.5-159.7 150.5 -7.9 -4.7 8.5 82 84 A T - 0 0 2 -36,-2.2 2,-0.1 -2,-0.3 11,-0.1 -0.454 40.1 -95.3 -86.1 177.3 -4.4 -5.6 9.7 83 85 A K - 0 0 103 -2,-0.2 2,-0.4 9,-0.1 -37,-0.3 -0.346 49.9 -86.3 -80.8 173.2 -3.1 -4.6 13.1 84 86 A L - 0 0 0 -39,-0.1 2,-0.3 -18,-0.1 -39,-0.3 -0.712 52.6-168.1 -82.1 132.9 -0.9 -1.4 13.6 85 87 A I B -H 44 0D 0 -41,-2.9 -41,-2.6 -2,-0.4 2,-0.2 -0.920 14.1-152.5-129.4 149.4 2.8 -2.1 12.9 86 88 A G > - 0 0 1 -2,-0.3 3,-2.3 -43,-0.2 -53,-0.2 -0.491 53.4 -52.1-107.2 177.2 6.1 -0.2 13.5 87 89 A S T 3 S+ 0 0 34 -50,-2.7 -1,-0.2 1,-0.3 -48,-0.1 -0.207 127.2 17.1 -56.2 137.5 9.3 -0.5 11.5 88 90 A G T 3 S+ 0 0 79 -55,-1.9 -1,-0.3 1,-0.3 2,-0.2 0.324 103.7 107.7 86.2 -12.6 10.5 -4.1 11.2 89 91 A E < - 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