==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 12-JAN-07 2OJ1 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.E.DE JONGH,M.HOFFMANN,O.EINSLE,D.CAVAZZINI,G.L.ROSSI, . 256 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 66.8 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 . 53 20.7 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 . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 11.3 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 1 1 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 . 2 4 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 99 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.4 16.6 20.1 0.9 2 2 A E + 0 0 151 1,-0.1 21,-0.4 2,-0.0 24,-0.1 -0.922 360.0 178.7-111.8 122.5 18.7 16.9 0.3 3 3 A a + 0 0 38 -2,-0.6 27,-3.4 19,-0.1 2,-0.3 -0.005 58.1 70.6-109.0 29.4 17.7 14.5 -2.4 4 4 A S E -a 30 0A 60 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.871 50.4-176.2-136.4 169.1 20.4 11.9 -2.1 5 5 A V E -a 31 0A 48 25,-0.9 27,-2.2 -2,-0.3 2,-0.5 -0.888 21.1-134.1-167.0 136.5 21.3 9.2 0.4 6 6 A D E -a 32 0A 117 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.860 28.9-174.9 -97.7 127.7 24.2 6.7 0.7 7 7 A I E -a 33 0A 0 25,-2.2 27,-1.4 -2,-0.5 2,-0.4 -0.852 8.8-148.0-121.9 158.7 23.3 3.1 1.5 8 8 A Q E -a 34 0A 79 -2,-0.3 8,-1.6 25,-0.2 2,-0.5 -0.969 14.1-168.7-134.1 145.0 25.2 -0.0 2.2 9 9 A G E -C 15 0B 0 25,-1.8 6,-0.2 -2,-0.4 37,-0.1 -0.944 24.8-166.3-126.6 105.0 24.9 -3.8 1.7 10 10 A N E >> -C 14 0B 33 4,-1.7 3,-1.7 -2,-0.5 4,-0.7 -0.293 40.3 -90.7 -87.6 175.0 27.5 -5.6 3.8 11 11 A D T 34 S+ 0 0 14 25,-0.4 26,-0.1 1,-0.3 -1,-0.1 0.479 118.1 73.1 -64.4 -2.8 28.7 -9.3 3.6 12 12 A Q T 34 S- 0 0 127 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.302 116.1-106.6 -94.4 9.1 26.0 -10.2 6.2 13 13 A M T <4 S+ 0 0 54 -3,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.941 79.2 120.1 69.9 48.0 23.2 -9.7 3.6 14 14 A Q E < -C 10 0B 94 -4,-0.7 -4,-1.7 107,-0.1 2,-0.3 -0.998 58.0-133.3-149.5 150.4 21.9 -6.5 5.0 15 15 A F E -C 9 0B 23 105,-0.3 -6,-0.2 -2,-0.3 107,-0.1 -0.730 25.1-129.6 -94.6 146.9 21.3 -2.8 4.1 16 16 A N S S+ 0 0 88 -8,-1.6 2,-0.3 -2,-0.3 -7,-0.1 0.133 93.8 33.9 -88.0 24.3 22.3 -0.2 6.6 17 17 A T - 0 0 48 -9,-0.2 3,-0.1 105,-0.1 -2,-0.1 -0.902 56.6-166.2-168.3 144.9 18.8 1.4 6.5 18 18 A N S S+ 0 0 121 -2,-0.3 106,-1.9 1,-0.2 2,-0.3 0.314 74.3 45.7-121.5 7.7 15.4 -0.0 6.0 19 19 A A E -d 124 0C 46 104,-0.3 2,-0.4 90,-0.1 -1,-0.2 -0.925 58.6-167.1-156.4 126.7 13.4 3.1 5.2 20 20 A I E -d 125 0C 9 104,-3.6 106,-2.5 -2,-0.3 2,-0.4 -0.901 5.8-157.8-116.2 144.6 13.9 6.0 2.9 21 21 A T E -d 126 0C 101 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.982 7.8-150.8-120.7 126.5 12.0 9.3 2.9 22 22 A V E -d 127 0C 0 104,-3.2 106,-2.6 -2,-0.4 2,-0.3 -0.862 25.1-120.5 -98.2 129.0 12.0 11.5 -0.2 23 23 A D > - 0 0 69 -2,-0.5 3,-3.0 -21,-0.4 104,-0.0 -0.518 14.3-125.7 -74.5 132.2 11.6 15.2 0.5 24 24 A K T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.3 80,-0.0 0.740 110.8 56.6 -42.6 -33.0 8.6 17.0 -1.0 25 25 A S T 3 S+ 0 0 63 -23,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.690 82.7 104.7 -78.5 -18.3 10.9 19.5 -2.6 26 26 A a < - 0 0 5 -3,-3.0 3,-0.1 1,-0.2 -24,-0.0 -0.486 43.2-178.0 -70.2 123.5 13.0 16.9 -4.4 27 27 A K S S+ 0 0 151 -2,-0.3 72,-0.9 1,-0.3 73,-0.8 0.704 79.4 16.0 -92.0 -24.3 12.2 16.7 -8.2 28 28 A Q E S- B 0 98A 127 70,-0.2 2,-0.4 71,-0.2 -1,-0.3 -0.974 76.8-146.2-142.5 151.3 14.7 13.8 -8.7 29 29 A F E - B 0 97A 4 68,-2.5 68,-2.5 -2,-0.3 2,-0.4 -0.971 5.3-155.0-127.0 142.3 16.2 11.5 -6.1 30 30 A T E -aB 4 96A 29 -27,-3.4 -25,-0.9 -2,-0.4 2,-0.5 -0.928 7.7-173.7-121.3 136.5 19.6 9.8 -5.9 31 31 A V E -aB 5 95A 0 64,-2.6 64,-2.0 -2,-0.4 2,-0.7 -0.991 8.8-161.6-125.4 122.4 20.7 6.7 -4.1 32 32 A N E -aB 6 94A 50 -27,-2.2 -25,-2.2 -2,-0.5 2,-0.3 -0.926 12.8-160.7-109.0 112.7 24.4 5.8 -4.0 33 33 A L E +aB 7 93A 2 60,-3.0 60,-2.3 -2,-0.7 2,-0.3 -0.707 12.0 176.1 -96.8 143.4 25.0 2.2 -3.2 34 34 A S E -aB 8 92A 36 -27,-1.4 -25,-1.8 -2,-0.3 58,-0.2 -0.962 22.8-134.2-143.1 159.0 28.2 0.7 -1.9 35 35 A H - 0 0 5 56,-1.9 55,-3.0 -2,-0.3 56,-0.3 -0.740 15.9-172.7-128.1 90.5 29.5 -2.7 -0.7 36 36 A P + 0 0 48 0, 0.0 -25,-0.4 0, 0.0 2,-0.2 -0.372 51.0 60.5 -70.3 150.6 31.6 -3.1 2.5 37 37 A G S S- 0 0 50 -27,-0.2 53,-0.1 1,-0.1 -2,-0.1 -0.758 84.6 -95.2 123.6-171.3 33.0 -6.6 3.1 38 38 A N S S+ 0 0 130 -2,-0.2 -1,-0.1 51,-0.1 51,-0.1 0.593 77.7 110.6-121.5 -18.7 35.3 -9.0 1.3 39 39 A L - 0 0 46 -3,-0.1 50,-1.1 1,-0.1 2,-0.0 -0.277 62.9-115.4 -67.9 145.4 33.0 -11.3 -0.6 40 40 A P >> - 0 0 66 0, 0.0 4,-3.0 0, 0.0 3,-1.4 -0.220 26.8-102.5 -76.9 162.7 32.6 -11.3 -4.5 41 41 A K H 3> S+ 0 0 87 1,-0.3 4,-1.1 2,-0.2 -2,-0.1 0.808 118.5 55.7 -53.9 -37.3 29.6 -10.5 -6.7 42 42 A b H 34 S+ 0 0 23 2,-0.2 -1,-0.3 1,-0.1 26,-0.0 0.725 119.4 32.0 -73.9 -17.0 28.7 -14.1 -7.4 43 43 A V H <4 S+ 0 0 61 -3,-1.4 -2,-0.2 154,-0.0 154,-0.2 0.840 139.2 7.9-104.3 -47.7 28.5 -14.9 -3.7 44 44 A M H < S+ 0 0 20 -4,-3.0 -3,-0.2 2,-0.0 -2,-0.2 -0.185 81.2 154.8-133.0 43.2 27.2 -11.7 -1.9 45 45 A G < - 0 0 0 -4,-1.1 2,-0.3 -5,-0.1 43,-0.2 -0.401 20.0-167.7 -73.7 146.8 26.3 -9.3 -4.7 46 46 A H B +H 87 0D 1 41,-2.3 41,-3.9 -2,-0.1 2,-0.3 -0.935 13.0 176.0-134.1 158.9 23.7 -6.6 -4.1 47 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.3 39,-0.1 -0.885 29.1-119.1-147.3 173.2 21.7 -4.1 -6.1 48 48 A W - 0 0 0 -2,-0.3 36,-1.5 37,-0.2 2,-0.4 -0.976 30.7-179.4-125.8 117.0 19.0 -1.5 -5.3 49 49 A V E -EF 83 111C 0 62,-2.3 62,-1.5 -2,-0.5 2,-0.4 -0.947 10.4-159.6-121.4 135.9 15.6 -1.9 -6.9 50 50 A L E +EF 82 110C 0 32,-2.7 31,-2.7 -2,-0.4 32,-1.0 -0.933 28.8 133.1-115.9 135.4 12.5 0.3 -6.5 51 51 A S E - F 0 109C 0 58,-2.2 58,-2.6 -2,-0.4 29,-0.1 -0.945 59.8 -74.1-163.3 173.3 9.0 -0.8 -7.2 52 52 A T >> - 0 0 28 27,-0.4 4,-1.0 -2,-0.3 3,-0.6 -0.426 47.6-113.5 -73.0 158.4 5.6 -0.7 -5.6 53 53 A A G >4 S+ 0 0 49 54,-0.4 3,-0.9 1,-0.2 4,-0.5 0.921 117.5 55.5 -59.0 -45.2 5.1 -3.1 -2.7 54 54 A A G 34 S+ 0 0 98 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.760 108.9 48.5 -59.8 -26.3 2.6 -5.1 -4.7 55 55 A D G <> S+ 0 0 57 -3,-0.6 4,-2.1 1,-0.1 -1,-0.2 0.662 86.4 91.6 -89.4 -17.7 5.1 -5.6 -7.5 56 56 A M H > S+ 0 0 152 -4,-0.5 4,-3.3 1,-0.2 3,-0.6 0.886 112.6 46.8 -43.9 -55.9 7.6 -10.5 -5.4 58 58 A G H 3> S+ 0 0 22 -4,-0.3 4,-3.2 1,-0.3 5,-0.4 0.930 110.7 53.5 -52.2 -49.7 7.2 -10.7 -9.2 59 59 A V H 3X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 15,-0.4 0.794 114.4 42.5 -54.9 -34.8 10.2 -8.5 -9.7 60 60 A V H X S+ 0 0 0 -4,-0.9 3,-1.0 -5,-0.4 4,-0.5 0.988 108.3 43.1 -63.6 -60.9 14.8 -11.2 -11.3 64 64 A E H >< S+ 0 0 4 -4,-3.7 3,-2.1 1,-0.3 -2,-0.2 0.936 114.4 51.9 -49.8 -51.7 16.4 -14.3 -9.7 65 65 A A H 3< S+ 0 0 47 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.795 95.8 73.1 -56.4 -27.6 15.3 -16.3 -12.8 66 66 A S H << S- 0 0 21 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.699 99.4-138.3 -63.4 -19.3 17.0 -13.6 -14.9 67 67 A G X<> - 0 0 12 -3,-2.1 3,-1.1 -4,-0.5 5,-1.0 0.165 21.6 -72.3 80.0 160.2 20.4 -14.9 -13.9 68 68 A L G > 5S+ 0 0 39 1,-0.3 3,-2.9 176,-0.2 4,-0.2 0.881 120.9 62.5 -59.2 -51.9 23.6 -13.1 -12.9 69 69 A D G 3 5S+ 0 0 134 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.666 106.1 55.8 -53.7 -9.9 24.8 -11.7 -16.2 70 70 A K G X 5S- 0 0 93 -3,-1.1 3,-1.3 -4,-0.1 -1,-0.3 0.162 116.4-111.6-108.3 16.0 21.6 -9.8 -16.0 71 71 A D T < 5 - 0 0 37 -3,-2.9 -3,-0.2 1,-0.3 42,-0.1 0.927 65.3 -76.7 51.8 45.2 22.1 -8.1 -12.6 72 72 A Y T 3 - 0 0 88 -15,-0.4 3,-0.8 -2,-0.4 -11,-0.1 -0.344 49.2-111.7 -51.9 128.5 14.3 -9.1 -15.8 75 75 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.390 94.6 9.0 -66.8 151.2 15.5 -6.9 -18.6 76 76 A D T 3 S+ 0 0 172 1,-0.2 2,-0.6 -3,-0.1 -2,-0.1 0.863 85.8 176.0 47.6 48.1 13.2 -4.0 -19.6 77 77 A D X - 0 0 17 -3,-0.8 3,-0.8 1,-0.1 -1,-0.2 -0.734 25.4-159.0 -87.5 120.0 10.9 -4.7 -16.6 78 78 A S T 3 S+ 0 0 121 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.703 88.9 65.3 -70.3 -20.6 8.1 -2.1 -16.4 79 79 A R T 3 S+ 0 0 52 -24,-0.1 2,-0.6 -28,-0.1 -27,-0.4 0.764 82.2 90.9 -73.0 -24.6 7.6 -2.8 -12.7 80 80 A V < + 0 0 23 -3,-0.8 -29,-0.2 1,-0.2 3,-0.1 -0.643 50.7 179.7 -78.0 117.6 11.0 -1.5 -11.9 81 81 A I S S- 0 0 65 -31,-2.7 2,-0.3 -2,-0.6 17,-0.2 0.861 72.5 -12.6 -81.0 -42.7 10.7 2.2 -11.2 82 82 A A E +E 50 0C 6 -32,-1.0 -32,-2.7 -3,-0.1 -1,-0.4 -0.967 68.8 168.4-153.8 161.8 14.4 2.5 -10.6 83 83 A H E -E 49 0C 86 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.1 -0.941 19.6-141.1-174.9 154.8 17.4 0.2 -10.0 84 84 A T - 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