==== 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 2HX8 . 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) . 11850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 62.3 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 . 11 4.4 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 . 26 10.3 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 93 0, 0.0 27,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 33.8 -4.7 -13.5 -4.8 2 4 A S E -a 28 0A 72 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.986 360.0-162.8-153.3 156.4 -2.3 -11.6 -2.6 3 5 A V E -a 29 0A 37 25,-2.1 27,-2.5 -2,-0.3 2,-0.5 -0.992 15.1-140.3-142.7 140.2 -0.4 -8.3 -2.5 4 6 A D E -a 30 0A 112 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.898 26.2-173.4 -96.3 127.8 2.6 -7.2 -0.5 5 7 A I E -a 31 0A 0 25,-3.1 27,-2.2 -2,-0.5 2,-0.4 -0.972 9.3-158.3-130.1 139.1 2.3 -3.6 0.7 6 8 A Q E -a 32 0A 89 -2,-0.4 8,-1.7 25,-0.2 2,-0.4 -0.938 4.5-162.0-115.4 137.4 4.8 -1.4 2.5 7 9 A G B -C 13 0B 0 25,-2.3 6,-0.2 -2,-0.4 37,-0.1 -0.992 23.3-160.6-113.3 130.5 4.2 1.7 4.6 8 10 A N > - 0 0 49 4,-2.0 3,-1.1 -2,-0.4 27,-0.1 -0.201 34.9 -87.1-108.0-173.8 7.4 3.8 5.1 9 11 A D T 3 S+ 0 0 15 1,-0.2 26,-0.1 2,-0.1 235,-0.0 0.570 120.3 58.5 -74.3 -3.5 8.7 6.6 7.4 10 12 A Q T 3 S- 0 0 65 2,-0.2 -1,-0.2 32,-0.0 3,-0.1 0.060 118.7-100.9-118.7 33.5 7.1 9.3 5.3 11 13 A M S < S+ 0 0 21 -3,-1.1 2,-0.4 1,-0.2 -2,-0.1 0.840 79.9 131.6 60.5 39.2 3.4 8.2 5.5 12 14 A Q - 0 0 110 106,-0.1 -4,-2.0 -4,-0.1 2,-0.3 -0.972 48.8-148.2-124.3 135.0 3.4 6.6 2.1 13 15 A F B -C 7 0B 24 -2,-0.4 -6,-0.2 -6,-0.2 106,-0.1 -0.665 26.9-124.6 -85.7 154.6 2.2 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 0.351 94.7 36.4 -85.9 4.8 4.2 1.8 -2.0 15 17 A T - 0 0 42 -9,-0.2 -2,-0.1 1,-0.0 3,-0.1 -0.971 52.7-172.1-142.5 153.7 1.0 1.4 -4.0 16 18 A N S S+ 0 0 117 -2,-0.3 105,-2.2 1,-0.2 2,-0.3 0.228 78.2 52.8-124.4 16.8 -2.1 3.5 -4.3 17 19 A A E -d 121 0C 50 103,-0.2 2,-0.4 90,-0.1 -1,-0.2 -0.868 61.4-173.6-157.5 110.5 -4.2 1.1 -6.4 18 20 A I E -d 122 0C 5 103,-2.9 105,-2.3 -2,-0.3 2,-0.4 -0.884 8.5-157.5-106.5 135.0 -4.8 -2.6 -5.7 19 21 A T E -d 123 0C 94 -2,-0.4 2,-0.6 103,-0.2 105,-0.2 -0.965 1.6-158.9-112.6 131.0 -6.6 -4.9 -8.1 20 22 A V E -d 124 0C 0 103,-2.8 105,-2.2 -2,-0.4 2,-0.2 -0.950 22.3-127.3-109.6 118.4 -8.3 -8.1 -6.8 21 23 A D > - 0 0 91 -2,-0.6 3,-1.9 103,-0.2 103,-0.1 -0.479 16.0-135.1 -64.5 127.3 -8.8 -10.8 -9.5 22 24 A K T 3 S+ 0 0 58 103,-3.5 -1,-0.1 1,-0.3 102,-0.0 0.658 100.9 65.3 -65.2 -14.9 -12.5 -11.7 -9.4 23 25 A S T 3 S+ 0 0 104 102,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.680 78.6 104.1 -80.3 -18.2 -11.7 -15.4 -9.6 24 26 A a < - 0 0 10 -3,-1.9 3,-0.1 1,-0.1 73,-0.0 -0.415 55.2-163.3 -60.1 134.9 -10.0 -15.3 -6.2 25 27 A K S S+ 0 0 64 1,-0.3 72,-2.2 -2,-0.1 73,-0.6 0.855 80.5 17.4 -84.4 -41.0 -12.0 -16.8 -3.4 26 28 A Q E S- B 0 96A 97 70,-0.3 2,-0.4 71,-0.1 -1,-0.3 -0.903 70.7-151.8-125.6 157.3 -9.9 -15.1 -0.7 27 29 A F E - B 0 95A 6 68,-2.5 68,-2.4 -2,-0.3 2,-0.4 -0.996 9.1-158.0-131.4 139.7 -7.5 -12.1 -0.9 28 30 A T E -aB 2 94A 33 -27,-1.6 -25,-2.1 -2,-0.4 2,-0.5 -0.951 5.6-162.9-123.6 135.4 -4.4 -11.6 1.3 29 31 A V E -aB 3 93A 0 64,-2.7 64,-2.0 -2,-0.4 2,-0.7 -0.981 5.4-160.9-115.0 125.2 -2.6 -8.4 2.1 30 32 A N E -aB 4 92A 51 -27,-2.5 -25,-3.1 -2,-0.5 2,-0.4 -0.917 15.0-163.4-107.3 107.4 0.9 -8.7 3.7 31 33 A L E +aB 5 91A 2 60,-2.9 60,-2.1 -2,-0.7 2,-0.3 -0.756 13.9 168.6 -94.1 136.1 1.8 -5.4 5.3 32 34 A S E -aB 6 90A 43 -27,-2.2 -25,-2.3 -2,-0.4 58,-0.2 -0.856 25.8-139.6-138.7 173.0 5.3 -4.4 6.3 33 35 A H - 0 0 4 56,-0.7 55,-1.9 -2,-0.3 56,-0.2 -0.726 13.8-168.6-142.7 83.1 7.1 -1.2 7.4 34 36 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.321 52.9 58.9 -60.5 157.3 10.5 -0.4 6.1 35 37 A G S S- 0 0 34 -27,-0.1 -2,-0.1 1,-0.1 209,-0.1 -0.764 88.9 -84.6 118.5-161.5 12.2 2.4 7.9 36 38 A N S S+ 0 0 109 -2,-0.3 -1,-0.1 51,-0.1 207,-0.1 0.394 79.0 107.0-132.2 0.5 13.3 3.2 11.4 37 39 A L - 0 0 0 -3,-0.2 50,-2.7 5,-0.1 204,-0.1 -0.683 61.0-127.3 -96.5 136.6 10.4 4.6 13.3 38 40 A P >> - 0 0 35 0, 0.0 4,-2.9 0, 0.0 3,-2.2 -0.239 29.3 -98.5 -79.0 169.3 8.5 2.7 15.9 39 41 A K H 3> S+ 0 0 83 1,-0.3 4,-0.6 2,-0.2 46,-0.1 0.759 120.1 55.2 -55.8 -35.1 4.7 2.1 16.1 40 42 A N H 34 S+ 0 0 43 2,-0.2 -1,-0.3 1,-0.1 154,-0.3 0.370 119.1 34.7 -83.5 4.2 4.0 4.9 18.7 41 43 A V H <4 S+ 0 0 14 -3,-2.2 -2,-0.2 152,-0.1 -1,-0.1 0.648 141.2 1.9-117.5 -44.9 5.7 7.4 16.4 42 44 A M H < S+ 0 0 0 -4,-2.9 2,-0.3 2,-0.0 -2,-0.2 -0.583 80.5 163.9-147.1 67.8 4.9 6.3 12.8 43 45 A G < - 0 0 5 -4,-0.6 2,-0.4 43,-0.1 43,-0.2 -0.752 15.5-163.5 -93.2 146.5 2.7 3.3 13.0 44 46 A H B -H 85 0D 1 41,-2.5 41,-2.6 -2,-0.3 2,-0.3 -0.939 11.2-178.7-126.8 146.6 0.6 2.1 10.0 45 47 A N - 0 0 0 -2,-0.4 2,-0.4 39,-0.2 39,-0.1 -0.806 25.4-127.7-124.8 177.4 -2.3 -0.2 9.5 46 48 A W + 0 0 0 -2,-0.3 36,-2.5 37,-0.2 2,-0.4 -0.996 31.7 178.2-128.5 122.5 -4.1 -1.4 6.3 47 49 A V E -EF 81 109C 0 62,-2.2 62,-2.0 -2,-0.4 2,-0.4 -0.971 13.3-156.3-130.7 139.0 -7.9 -0.9 6.4 48 50 A L E +EF 80 108C 0 32,-2.4 31,-2.2 -2,-0.4 32,-0.9 -0.971 26.9 139.5-123.1 130.2 -10.5 -1.6 3.8 49 51 A S E - F 0 107C 0 58,-2.3 58,-2.6 -2,-0.4 29,-0.1 -0.941 56.2 -77.1-148.0 174.5 -14.0 0.0 3.5 50 52 A T E > - F 0 106C 25 27,-0.4 4,-1.1 -2,-0.3 56,-0.3 -0.377 47.7-111.6 -66.2 157.8 -16.3 1.4 0.8 51 53 A A T >4 S+ 0 0 33 54,-2.7 3,-0.6 1,-0.2 4,-0.5 0.914 119.4 54.2 -58.0 -39.2 -15.3 4.8 -0.5 52 54 A A T 34 S+ 0 0 90 53,-0.4 4,-0.4 1,-0.2 3,-0.3 0.837 110.9 44.3 -63.7 -37.1 -18.4 6.2 1.2 53 55 A D T 3> S+ 0 0 59 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.568 88.9 90.4 -84.3 -13.2 -17.5 4.8 4.7 54 56 A M H S+ 0 0 112 -4,-0.5 4,-3.0 -3,-0.3 -1,-0.2 0.930 113.0 46.2 -60.4 -45.2 -14.2 9.2 6.3 56 58 A G H > S+ 0 0 24 -4,-0.4 4,-2.8 1,-0.2 5,-0.3 0.907 111.7 51.6 -63.0 -44.8 -16.3 7.9 9.2 57 59 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 15,-0.3 0.923 113.4 45.0 -57.3 -45.0 -13.9 4.9 9.7 58 60 A V H X S+ 0 0 8 -4,-2.4 4,-3.1 -5,-0.2 5,-0.3 0.948 114.4 46.8 -66.5 -51.3 -10.9 7.3 9.9 59 61 A T H X S+ 0 0 77 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.947 118.0 41.9 -56.8 -48.8 -12.6 9.9 12.1 60 62 A D H X S+ 0 0 57 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.847 115.8 50.0 -70.0 -33.5 -13.9 7.3 14.6 61 63 A G H X S+ 0 0 0 -4,-1.9 4,-1.0 -5,-0.3 3,-0.4 0.936 109.1 50.0 -71.0 -47.7 -10.7 5.3 14.5 62 64 A M H >< S+ 0 0 60 -4,-3.1 3,-1.0 1,-0.2 -2,-0.2 0.938 110.9 51.2 -53.6 -44.9 -8.4 8.3 15.1 63 65 A A H 3< S+ 0 0 89 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.793 102.0 61.3 -63.6 -32.1 -10.7 9.2 18.1 64 66 A S H 3< S- 0 0 33 -4,-1.1 4,-0.3 -3,-0.4 -1,-0.3 0.730 102.5-150.8 -68.0 -26.1 -10.3 5.6 19.4 65 67 A G X<> - 0 0 19 -4,-1.0 5,-2.7 -3,-1.0 3,-1.2 0.086 25.2 -50.7 86.0 173.5 -6.6 6.1 19.8 66 68 A L G > 5S+ 0 0 66 1,-0.3 3,-2.2 3,-0.2 -1,-0.1 0.856 125.5 57.4 -56.1 -43.6 -3.3 4.2 19.7 67 69 A D G 3 5S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.761 108.4 48.2 -67.7 -20.6 -4.2 1.5 22.2 68 70 A K G X 5S- 0 0 123 -3,-1.2 3,-1.1 -4,-0.3 -1,-0.3 0.171 120.2-110.3 -99.5 19.5 -7.2 0.5 19.9 69 71 A D T < 5 - 0 0 40 -3,-2.2 -3,-0.2 1,-0.2 42,-0.2 0.796 64.5 -70.9 56.9 32.4 -4.9 0.5 16.9 70 72 A Y T 3 - 0 0 78 -2,-0.4 3,-1.4 -15,-0.3 -11,-0.1 -0.491 49.2-100.7 -64.5 127.6 -13.4 1.9 16.4 73 75 A P T 3 S- 0 0 78 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.280 98.8 -1.5 -53.9 139.2 -14.0 -1.4 18.1 74 76 A D T 3 S- 0 0 163 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.768 85.6-171.5 54.9 33.3 -16.2 -3.8 16.2 75 77 A D X - 0 0 13 -3,-1.4 3,-1.5 1,-0.2 -1,-0.2 -0.386 17.2-157.7 -66.8 115.1 -16.6 -1.3 13.3 76 78 A S T 3 S+ 0 0 115 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.639 88.5 61.8 -65.2 -19.6 -19.2 -2.7 10.9 77 79 A R T 3 S+ 0 0 45 -24,-0.1 2,-0.9 -28,-0.1 -27,-0.4 0.546 81.1 92.2 -82.4 -13.1 -17.9 -0.5 8.1 78 80 A V < - 0 0 23 -3,-1.5 -29,-0.2 1,-0.2 3,-0.1 -0.786 52.3-173.9 -92.0 109.3 -14.4 -2.1 8.1 79 81 A I S S- 0 0 39 -31,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.879 71.3 -17.2 -66.8 -41.8 -14.4 -5.0 5.6 80 82 A A E +E 48 0C 8 -32,-0.9 -32,-2.4 15,-0.1 2,-0.3 -0.967 67.9 175.0-160.8 151.2 -10.9 -6.1 6.6 81 83 A H E -E 47 0C 90 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.981 21.0-136.8-159.5 154.2 -8.0 -4.7 8.4 82 84 A T - 0 0 1 -36,-2.5 2,-0.1 -2,-0.3 11,-0.1 -0.460 38.8 -96.7 -90.7 177.7 -4.5 -5.5 9.8 83 85 A K - 0 0 104 -2,-0.2 2,-0.3 9,-0.1 -37,-0.2 -0.380 50.2 -85.9 -81.9 172.2 -3.2 -4.4 13.2 84 86 A L - 0 0 0 -39,-0.1 2,-0.3 -18,-0.1 -39,-0.2 -0.676 51.9-167.3 -78.6 135.8 -1.0 -1.3 13.6 85 87 A I B -H 44 0D 0 -41,-2.6 -41,-2.5 -2,-0.3 2,-0.2 -0.940 13.0-153.7-131.1 146.7 2.7 -1.9 12.9 86 88 A G > - 0 0 1 -2,-0.3 3,-2.2 -43,-0.2 -53,-0.2 -0.499 53.6 -50.2-105.2-179.5 6.0 -0.1 13.5 87 89 A S T 3 S+ 0 0 36 -50,-2.7 -1,-0.2 1,-0.3 -48,-0.2 -0.222 127.9 15.5 -58.0 137.1 9.3 -0.4 11.6 88 90 A G T 3 S+ 0 0 79 -55,-1.9 -1,-0.3 1,-0.3 2,-0.2 0.334 103.6 109.5 82.9 -10.3 10.4 -4.0 11.2 89 91 A E < - 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