==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-MAY-10 3N2J . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.HOFFMANN,S.ALAGARATNAM,G.W.CANTERS,O.EINSLE . 1536 12 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 941 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 301 19.6 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 . 12 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 . 1 0.1 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 . 104 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 186 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 12 0 0 0 0 6 1 3 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 12 12 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 . 23 13 0 24 0 0 12 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 . 1 12 0 12 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 0 121 0, 0.0 2,-0.9 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 124.9 39.5 -5.5 26.7 2 2 A E + 0 0 122 1,-0.1 21,-0.7 2,-0.1 24,-0.1 -0.787 360.0 12.3 91.1 -85.2 40.2 -2.7 24.1 3 3 A a S S+ 0 0 47 -2,-0.9 27,-1.7 19,-0.1 2,-0.3 0.105 123.6 46.9-112.8 24.3 36.8 -1.5 22.7 4 4 A S E -a 30 0A 40 25,-0.2 2,-0.3 92,-0.1 27,-0.2 -0.949 55.9-159.4-149.1 169.8 34.4 -3.1 25.2 5 5 A V E -a 31 0A 34 25,-2.1 27,-3.0 -2,-0.3 2,-0.6 -0.965 14.0-141.8-155.0 137.6 33.8 -3.6 28.9 6 6 A D E -a 32 0A 107 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.920 26.4-174.1-102.1 117.7 31.7 -6.1 30.8 7 7 A I E -a 33 0A 1 25,-2.4 27,-2.3 -2,-0.6 2,-0.4 -0.894 7.4-157.8-114.3 144.4 30.0 -4.6 33.9 8 8 A Q E -a 34 0A 82 -2,-0.3 8,-1.4 25,-0.2 2,-0.4 -0.916 7.2-166.4-118.4 144.7 27.9 -6.2 36.7 9 9 A G B -C 15 0B 0 25,-2.0 28,-0.6 -2,-0.4 6,-0.2 -0.979 20.5-168.2-118.0 139.8 25.3 -4.9 39.1 10 10 A N > - 0 0 31 4,-1.3 3,-1.1 -2,-0.4 79,-0.0 -0.403 41.7 -88.0-115.7-168.5 24.3 -7.0 42.1 11 11 A D T 3 S+ 0 0 17 1,-0.2 24,-0.0 -2,-0.1 300,-0.0 0.522 122.8 64.0 -77.7 -8.0 21.7 -7.4 44.9 12 12 A Q T 3 S- 0 0 51 2,-0.2 -1,-0.2 32,-0.0 3,-0.1 0.193 114.5-116.1 -97.6 10.0 24.0 -5.1 47.0 13 13 A M S < S+ 0 0 41 -3,-1.1 2,-0.4 1,-0.2 -2,-0.1 0.918 72.0 132.3 52.3 45.9 23.4 -2.2 44.5 14 14 A Q - 0 0 116 107,-0.1 -4,-1.3 -4,-0.0 2,-0.3 -0.986 52.9-141.7-125.1 140.8 27.1 -2.1 43.5 15 15 A F B -C 9 0B 27 -2,-0.4 -6,-0.2 -6,-0.2 107,-0.1 -0.731 26.9-123.9 -87.8 151.1 28.7 -2.0 40.1 16 16 A N S S+ 0 0 92 -8,-1.4 2,-0.3 -2,-0.3 -7,-0.1 0.317 93.9 25.9 -81.4 6.0 31.9 -4.2 40.0 17 17 A T - 0 0 50 -9,-0.2 -2,-0.1 105,-0.1 3,-0.1 -0.944 55.3-159.2-157.0 155.3 34.0 -1.1 38.8 18 18 A N S S+ 0 0 115 -2,-0.3 106,-2.4 1,-0.1 2,-0.3 0.142 77.9 61.0-119.7 17.9 33.7 2.6 39.2 19 19 A A E -d 124 0C 45 104,-0.3 2,-0.4 90,-0.1 106,-0.2 -0.959 53.2-176.5-152.9 125.8 35.9 3.5 36.2 20 20 A I E -d 125 0C 4 104,-2.3 106,-2.4 -2,-0.3 2,-0.5 -0.977 9.4-159.8-126.6 131.9 35.8 2.9 32.4 21 21 A T E -d 126 0C 84 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.958 3.8-159.3-111.0 126.3 38.5 3.9 30.0 22 22 A V E -d 127 0C 0 104,-3.3 106,-2.3 -2,-0.5 2,-0.2 -0.958 17.5-135.3-103.1 120.0 37.5 4.2 26.3 23 23 A D > - 0 0 59 -21,-0.7 3,-1.2 -2,-0.6 76,-0.1 -0.537 8.3-139.8 -70.8 135.7 40.5 4.0 23.9 24 24 A K T 3 S+ 0 0 118 104,-2.4 -1,-0.1 1,-0.2 103,-0.0 0.486 97.8 72.8 -79.4 -0.5 40.3 6.7 21.2 25 25 A S T 3 S+ 0 0 112 103,-0.3 -1,-0.2 74,-0.0 2,-0.2 0.770 82.0 99.6 -78.8 -19.1 41.6 4.3 18.6 26 26 A a < - 0 0 9 -3,-1.2 73,-0.1 1,-0.2 3,-0.1 -0.376 57.7-164.5 -65.7 132.1 38.1 2.7 18.9 27 27 A K S S+ 0 0 132 1,-0.2 72,-2.4 -2,-0.2 73,-0.5 0.900 82.5 18.7 -79.4 -39.6 35.4 3.5 16.3 28 28 A Q E - B 0 98A 99 70,-0.3 2,-0.4 71,-0.1 70,-0.2 -0.902 66.7-149.0-129.6 155.6 32.9 2.0 18.7 29 29 A F E - B 0 97A 2 68,-2.9 68,-2.5 -2,-0.3 2,-0.4 -0.979 11.8-160.8-121.5 139.8 32.6 1.2 22.4 30 30 A T E -aB 4 96A 30 -27,-1.7 -25,-2.1 -2,-0.4 2,-0.5 -0.982 5.5-165.2-124.2 130.3 30.5 -1.7 23.8 31 31 A V E -aB 5 95A 0 64,-2.6 64,-2.2 -2,-0.4 2,-0.7 -0.957 6.5-161.3-109.1 120.6 29.3 -2.1 27.4 32 32 A N E -aB 6 94A 51 -27,-3.0 -25,-2.4 -2,-0.5 2,-0.4 -0.924 14.0-165.5-103.8 109.3 28.0 -5.6 28.3 33 33 A L E +aB 7 93A 2 60,-3.0 60,-2.0 -2,-0.7 2,-0.3 -0.786 10.6 174.4-100.5 134.7 25.9 -5.3 31.5 34 34 A S E -aB 8 92A 33 -27,-2.3 -25,-2.0 -2,-0.4 58,-0.2 -0.893 26.5-140.0-132.1 169.0 24.8 -8.3 33.6 35 35 A H + 0 0 5 56,-1.0 55,-2.6 -2,-0.3 -25,-0.2 -0.845 17.3 175.4-132.3 93.3 23.0 -9.0 36.9 36 36 A P + 0 0 53 0, 0.0 -26,-0.2 0, 0.0 -1,-0.1 0.440 55.4 99.1 -77.8 3.3 24.6 -11.8 39.0 37 37 A G S S- 0 0 4 -28,-0.6 53,-0.2 7,-0.1 -2,-0.1 0.065 77.1-124.6 -72.7-168.9 22.1 -11.2 41.8 38 38 A N S S+ 0 0 38 51,-0.1 -1,-0.1 273,-0.1 -28,-0.0 0.540 75.5 93.0-111.2 -20.7 18.9 -13.0 42.6 39 39 A L S S- 0 0 22 5,-0.1 50,-3.0 1,-0.1 -2,-0.1 -0.549 70.7-115.5 -87.7 148.6 16.3 -10.2 42.6 40 40 A P >> - 0 0 42 0, 0.0 4,-2.8 0, 0.0 3,-1.6 -0.301 32.5 -93.9 -82.5 167.7 14.1 -9.0 39.7 41 41 A K H 3> S+ 0 0 78 1,-0.3 4,-1.3 2,-0.2 46,-0.1 0.714 118.2 57.6 -38.0 -45.8 14.0 -5.7 37.7 42 42 A N H 34 S+ 0 0 24 2,-0.2 -1,-0.3 1,-0.2 720,-0.1 0.708 122.3 22.3 -68.4 -26.0 11.2 -4.1 39.9 43 43 A V H <4 S+ 0 0 10 -3,-1.6 -2,-0.2 718,-0.1 670,-0.2 0.630 142.5 17.8-114.3 -31.7 13.0 -4.4 43.2 44 44 A M H < S+ 0 0 18 -4,-2.8 -3,-0.2 2,-0.0 -2,-0.2 -0.144 80.0 156.0-140.6 41.9 16.7 -4.6 42.1 45 45 A G < - 0 0 0 -4,-1.3 2,-0.4 -5,-0.1 43,-0.2 -0.365 18.6-169.0 -70.7 149.4 16.9 -3.3 38.5 46 46 A H B +H 87 0D 2 41,-1.9 41,-3.2 -37,-0.1 2,-0.3 -0.990 7.4 178.4-136.0 139.3 20.2 -1.9 37.1 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.3 39,-0.1 -0.834 26.6-128.6-127.3 169.0 20.8 -0.0 34.0 48 48 A W + 0 0 0 -2,-0.3 36,-2.0 37,-0.3 2,-0.4 -0.990 32.4 179.6-119.1 117.3 24.0 1.5 32.6 49 49 A V E -EF 83 111C 0 62,-2.3 62,-1.7 -2,-0.5 2,-0.4 -0.977 13.5-154.6-125.5 135.1 23.6 5.2 31.5 50 50 A L E +EF 82 110C 0 32,-2.9 31,-2.3 -2,-0.4 32,-0.8 -0.901 28.6 136.5-112.7 138.2 26.1 7.6 30.1 51 51 A S E - F 0 109C 0 58,-1.8 58,-2.6 -2,-0.4 29,-0.1 -0.931 58.1 -78.4-159.1 167.9 26.0 11.5 30.3 52 52 A T E > - F 0 108C 36 27,-0.4 4,-0.9 -2,-0.3 3,-0.4 -0.394 48.9-109.7 -64.0 157.7 28.5 14.3 31.0 53 53 A A T >4 S+ 0 0 41 54,-2.9 3,-0.8 1,-0.2 4,-0.5 0.880 119.0 57.8 -57.8 -36.5 29.3 14.7 34.7 54 54 A A T 34 S+ 0 0 94 53,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.881 109.8 43.7 -59.8 -38.6 27.2 18.0 34.7 55 55 A D T 3> S+ 0 0 60 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.519 87.8 91.4 -86.5 -10.5 24.1 16.3 33.5 56 56 A M H S+ 0 0 148 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.906 113.5 49.5 -53.2 -47.2 22.1 14.5 38.6 58 58 A G H > S+ 0 0 22 -4,-0.4 4,-2.5 1,-0.2 5,-0.3 0.943 112.0 49.3 -57.1 -46.1 19.4 15.9 36.3 59 59 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 15,-0.3 0.911 113.5 45.4 -61.6 -42.0 19.2 12.6 34.4 60 60 A V H X S+ 0 0 10 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.935 112.4 50.9 -67.6 -44.0 18.9 10.5 37.6 61 61 A T H X S+ 0 0 78 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.916 116.6 38.9 -60.4 -49.0 16.3 12.8 39.1 62 62 A D H < S+ 0 0 36 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.833 117.7 52.5 -73.5 -28.9 14.0 12.8 36.1 63 63 A G H >X S+ 0 0 0 -4,-2.3 3,-1.8 -5,-0.3 4,-0.7 0.955 108.5 46.2 -69.4 -50.2 14.7 9.1 35.5 64 64 A M H >< S+ 0 0 50 -4,-3.3 3,-0.9 1,-0.3 -1,-0.2 0.908 113.4 53.3 -57.5 -38.4 13.9 8.0 39.1 65 65 A A T 3< S+ 0 0 54 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.579 97.7 67.0 -69.8 -15.7 10.8 10.2 38.7 66 66 A S T <4 S- 0 0 20 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.652 97.0-141.7 -85.2 -23.4 9.8 8.4 35.4 67 67 A G X<> - 0 0 21 -3,-0.9 5,-2.4 -4,-0.7 3,-1.8 0.171 26.4 -62.7 87.6 162.8 9.0 5.1 36.9 68 68 A L G > 5S+ 0 0 39 1,-0.3 3,-2.1 3,-0.2 -1,-0.2 0.797 124.0 63.2 -49.7 -43.7 9.4 1.4 36.2 69 69 A D G 3 5S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.584 108.8 42.7 -65.9 -10.7 7.2 1.4 33.0 70 70 A K G X 5S- 0 0 59 -3,-1.8 3,-0.8 -7,-0.1 -1,-0.3 0.204 117.5-110.7-111.9 11.2 9.8 3.9 31.4 71 71 A D T < 5 - 0 0 12 -3,-2.1 -3,-0.2 1,-0.2 42,-0.1 0.829 68.2 -70.0 59.9 31.2 12.9 1.9 32.6 72 72 A Y T 3 - 0 0 38 -2,-0.4 3,-0.9 -15,-0.3 -11,-0.1 -0.585 41.1-119.3 -67.4 121.4 12.9 10.6 31.1 75 75 A P T 3 S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.362 98.4 21.7 -58.6 147.1 11.5 9.9 27.6 76 76 A D T 3 S+ 0 0 132 1,-0.2 2,-1.0 313,-0.2 314,-0.0 0.843 82.0 163.6 63.4 34.7 13.2 12.3 25.1 77 77 A D X - 0 0 17 -3,-0.9 3,-1.5 1,-0.2 -1,-0.2 -0.748 19.4-175.0 -89.2 99.1 16.2 12.9 27.4 78 78 A S T 3 S+ 0 0 97 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.714 76.8 72.0 -63.7 -24.9 18.9 14.5 25.1 79 79 A R T 3 S+ 0 0 55 -24,-0.1 2,-0.8 -28,-0.1 -27,-0.4 0.626 76.1 93.8 -66.2 -19.8 21.4 14.4 28.0 80 80 A V < - 0 0 25 -3,-1.5 -29,-0.2 1,-0.2 3,-0.1 -0.739 53.9-175.2 -82.1 115.5 21.7 10.7 27.7 81 81 A I - 0 0 39 -31,-2.3 2,-0.3 -2,-0.8 -1,-0.2 0.903 69.9 -24.0 -72.8 -49.8 24.6 9.8 25.5 82 82 A A E +E 50 0C 6 -32,-0.8 -32,-2.9 15,-0.1 -1,-0.3 -0.950 67.6 177.9-155.0 163.9 24.0 6.0 25.5 83 83 A H E -E 49 0C 19 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.958 21.7-131.2-165.1 157.3 22.2 3.5 27.8 84 84 A T - 0 0 1 -36,-2.0 2,-0.1 -2,-0.3 11,-0.1 -0.436 40.6 -94.7 -95.8 177.3 21.2 -0.1 28.3 85 85 A K - 0 0 64 -2,-0.2 2,-0.4 -38,-0.1 -37,-0.3 -0.381 50.3 -86.8 -83.2 173.9 17.8 -1.3 29.2 86 86 A L - 0 0 1 -39,-0.1 2,-0.3 326,-0.1 -39,-0.3 -0.736 51.7-165.8 -82.1 128.1 16.9 -1.9 32.9 87 87 A I B -H 46 0D 0 -41,-3.2 -41,-1.9 -2,-0.4 2,-0.2 -0.833 12.9-164.8-119.9 155.3 17.8 -5.5 33.9 88 88 A G > - 0 0 1 -2,-0.3 3,-2.2 -43,-0.2 -53,-0.2 -0.684 54.7 -33.7-121.5 175.5 17.0 -7.8 36.9 89 89 A S T 3 S+ 0 0 21 -50,-3.0 -1,-0.2 1,-0.3 -48,-0.1 0.032 127.6 3.3 -33.2 127.5 18.6 -11.1 38.1 90 90 A G T 3 S+ 0 0 41 -55,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.401 103.1 115.3 75.3 -1.4 20.0 -13.3 35.3 91 91 A E < - 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