==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-OCT-12 4HIP . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR N.HERRERA,J.J.WARREN,H.B.GRAY . 256 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 64.1 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 . 52 20.3 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 10.2 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 0 1 0 0 1 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 . 5 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 1 A A 0 0 123 0, 0.0 2,-0.4 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 4.7 -17.7 10.8 33.1 2 2 A E + 0 0 117 1,-0.1 2,-0.7 2,-0.0 21,-0.2 -0.254 360.0 150.9 -85.2 45.6 -17.3 11.6 29.4 3 3 A a + 0 0 26 -2,-0.4 27,-1.9 19,-0.1 2,-0.2 0.072 44.0 71.9 -78.8 31.8 -18.3 7.9 29.0 4 4 A S E -a 30 0A 62 -2,-0.7 2,-0.3 25,-0.2 27,-0.2 -0.750 55.4-159.2-128.9 175.8 -19.9 8.4 25.6 5 5 A V E -a 31 0A 35 25,-1.5 27,-1.9 -2,-0.2 2,-0.5 -0.930 15.1-143.2-145.1 143.8 -19.1 9.0 21.9 6 6 A D E -a 32 0A 107 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.949 25.6-175.8-101.5 132.6 -21.5 10.4 19.2 7 7 A I E -a 33 0A 0 25,-2.0 27,-1.6 -2,-0.5 2,-0.4 -0.979 9.3-156.1-132.6 145.4 -21.0 8.8 15.9 8 8 A Q E -a 34 0A 88 -2,-0.4 8,-1.8 25,-0.2 2,-0.4 -0.924 7.2-162.4-121.1 141.4 -22.6 9.5 12.5 9 9 A G B -C 15 0B 0 25,-1.9 6,-0.2 -2,-0.4 2,-0.1 -0.995 24.6-167.7-115.7 137.5 -23.2 7.4 9.4 10 10 A N > - 0 0 36 4,-1.6 3,-1.3 -2,-0.4 4,-0.1 -0.370 39.4 -88.8-119.0-174.5 -23.9 9.4 6.3 11 11 A D T 3 S+ 0 0 28 1,-0.3 26,-0.1 2,-0.1 34,-0.0 0.598 118.9 66.3 -71.7 -12.8 -25.2 9.1 2.7 12 12 A Q T 3 S- 0 0 104 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.158 114.7-111.9 -94.9 13.4 -21.6 8.4 1.6 13 13 A M S < S+ 0 0 48 -3,-1.3 2,-0.4 1,-0.2 -2,-0.1 0.910 77.0 122.4 60.4 42.3 -21.4 5.1 3.5 14 14 A Q - 0 0 5 -4,-0.1 -4,-1.6 107,-0.1 -1,-0.2 -0.999 59.1-134.9-131.1 146.0 -18.9 6.4 6.0 15 15 A F B -C 9 0B 1 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.504 31.3-119.1 -75.5 157.9 -18.8 6.6 9.8 16 16 A N S S+ 0 0 39 -8,-1.8 131,-2.4 -2,-0.2 132,-0.6 0.720 94.3 26.6 -70.6 -19.1 -17.5 10.0 11.0 17 17 A T B -D 146 0C 18 -9,-0.3 129,-0.3 129,-0.3 -2,-0.1 -0.931 53.7-157.3-142.1 162.0 -14.6 8.2 12.7 18 18 A N S S+ 0 0 6 127,-2.2 106,-2.0 -2,-0.3 2,-0.4 0.272 81.0 52.5-116.8 1.2 -12.6 5.0 12.6 19 19 A A E -e 124 0D 38 126,-0.7 2,-0.4 104,-0.2 -1,-0.2 -0.979 54.1-177.6-147.5 124.5 -11.4 4.9 16.2 20 20 A I E -e 125 0D 5 104,-2.2 106,-1.9 -2,-0.4 2,-0.4 -0.945 10.1-162.0-117.4 147.7 -13.2 5.0 19.5 21 21 A T E -e 126 0D 83 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.985 5.7-151.1-129.7 133.5 -11.4 4.9 22.8 22 22 A V E -e 127 0D 0 104,-2.5 106,-3.6 -2,-0.4 -19,-0.1 -0.946 21.0-123.3-117.3 128.4 -13.1 4.1 26.2 23 23 A D - 0 0 58 -2,-0.5 2,-1.1 104,-0.2 3,-0.2 0.118 21.4 -97.1 -74.2 176.4 -11.9 5.5 29.5 24 24 A K S S+ 0 0 153 104,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.709 108.2 26.2 -93.8 84.4 -10.7 4.1 32.8 25 25 A S S S+ 0 0 95 -2,-1.1 -1,-0.2 1,-0.4 -2,-0.0 0.088 77.5 132.7 152.4 -31.1 -13.6 4.2 35.3 26 26 A a - 0 0 10 -3,-0.2 -1,-0.4 1,-0.2 3,-0.1 -0.242 35.3-169.1 -47.4 120.5 -16.6 4.0 33.1 27 27 A K S S+ 0 0 80 1,-0.3 72,-1.2 72,-0.1 73,-0.5 0.739 81.9 17.4 -75.9 -26.7 -19.0 1.3 34.5 28 28 A Q E - B 0 98A 88 70,-0.3 2,-0.4 71,-0.1 -1,-0.3 -0.971 68.3-149.0-147.1 148.9 -20.8 1.8 31.1 29 29 A F E - B 0 97A 3 68,-2.5 68,-2.1 -2,-0.3 2,-0.4 -0.968 13.1-155.8-125.1 142.0 -20.1 3.3 27.7 30 30 A T E -aB 4 96A 34 -27,-1.9 -25,-1.5 -2,-0.4 2,-0.5 -0.969 6.1-164.7-123.5 138.8 -22.7 4.8 25.4 31 31 A V E -aB 5 95A 0 64,-2.5 64,-2.3 -2,-0.4 2,-0.7 -0.978 6.6-161.6-125.1 123.0 -22.7 5.2 21.6 32 32 A N E -aB 6 94A 45 -27,-1.9 -25,-2.0 -2,-0.5 2,-0.3 -0.914 13.1-165.4-114.5 95.6 -25.2 7.7 20.2 33 33 A L E +aB 7 93A 2 60,-2.4 60,-2.5 -2,-0.7 2,-0.3 -0.684 11.8 171.2 -83.5 134.9 -25.7 7.0 16.5 34 34 A S E -aB 8 92A 34 -27,-1.6 -25,-1.9 -2,-0.3 58,-0.2 -0.945 26.1-140.1-138.4 164.8 -27.3 9.4 14.1 35 35 A H - 0 0 2 56,-1.5 55,-2.6 -2,-0.3 56,-0.4 -0.879 17.5-175.9-128.1 96.2 -27.8 9.5 10.4 36 36 A P + 0 0 55 0, 0.0 3,-0.2 0, 0.0 2,-0.1 -0.285 52.2 62.0 -81.3 174.3 -27.4 13.0 8.9 37 37 A G S S- 0 0 33 1,-0.1 53,-0.3 -27,-0.1 -2,-0.1 -0.406 89.7 -88.3 93.0 176.0 -28.1 12.9 5.2 38 38 A N S S+ 0 0 138 51,-0.1 -1,-0.1 -2,-0.1 6,-0.0 0.524 77.3 107.6-118.0 -15.9 -31.2 12.1 3.2 39 39 A L - 0 0 58 -3,-0.2 50,-2.5 5,-0.1 2,-0.0 -0.450 62.1-122.5 -80.2 144.4 -31.4 8.4 2.4 40 40 A P >> - 0 0 61 0, 0.0 4,-2.6 0, 0.0 3,-1.4 -0.296 34.3 -92.7 -78.5 166.6 -33.8 6.0 4.1 41 41 A K H 3> S+ 0 0 70 1,-0.3 4,-1.1 2,-0.2 46,-0.1 0.700 122.9 54.0 -48.2 -33.8 -33.0 2.9 6.1 42 42 A N H 34 S+ 0 0 98 2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.699 115.8 35.7 -75.2 -27.4 -33.4 0.7 2.9 43 43 A V H <4 S+ 0 0 75 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.1 0.822 143.3 0.7 -92.8 -34.3 -31.0 2.6 0.7 44 44 A M H < S+ 0 0 24 -4,-2.6 -3,-0.2 2,-0.0 -2,-0.2 -0.148 79.7 163.5-155.5 43.4 -28.4 3.6 3.3 45 45 A G < - 0 0 0 -4,-1.1 2,-0.4 -5,-0.1 43,-0.2 -0.358 17.5-162.2 -62.5 147.0 -29.4 2.3 6.7 46 46 A H B +I 87 0E 1 41,-2.3 41,-2.8 -37,-0.1 2,-0.3 -0.993 14.2 176.7-133.5 140.6 -26.7 2.2 9.4 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.3 39,-0.1 -0.851 27.9-127.4-124.3 172.2 -26.3 0.4 12.6 48 48 A F + 0 0 0 -2,-0.3 36,-1.4 37,-0.2 2,-0.4 -0.987 31.6 179.4-122.3 117.2 -23.4 0.4 15.1 49 49 A V E -FG 83 111D 0 62,-2.3 62,-1.6 -2,-0.5 2,-0.4 -0.987 10.1-161.5-125.3 132.0 -22.3 -3.1 15.9 50 50 A L E +FG 82 110D 0 32,-2.9 31,-2.9 -2,-0.4 32,-1.1 -0.929 25.1 135.6-118.2 135.3 -19.5 -4.0 18.2 51 51 A S E - G 0 109D 0 58,-2.0 58,-2.8 -2,-0.4 29,-0.1 -0.963 57.0 -70.6-157.4 173.7 -17.7 -7.4 18.4 52 52 A T E - G 0 108D 23 27,-0.4 4,-0.5 -2,-0.3 56,-0.3 -0.269 51.7-111.5 -62.4 160.9 -14.2 -9.0 18.7 53 53 A A S > S+ 0 0 38 54,-1.7 3,-0.8 1,-0.2 4,-0.5 0.870 119.4 51.7 -67.2 -33.5 -12.2 -8.6 15.5 54 54 A A T 3 S+ 0 0 92 53,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.771 109.0 51.7 -70.9 -28.6 -12.4 -12.4 14.8 55 55 A D T 3> S+ 0 0 52 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.435 87.7 86.5 -82.3 -10.0 -16.2 -12.3 15.3 56 56 A M H <> S+ 0 0 23 -3,-0.8 4,-2.4 -4,-0.5 5,-0.2 0.958 85.1 49.2 -67.9 -44.6 -16.7 -9.4 12.8 57 57 A Q H > S+ 0 0 127 -4,-0.5 4,-3.0 1,-0.2 5,-0.3 0.925 112.8 49.8 -61.5 -42.3 -17.0 -11.4 9.6 58 58 A G H > S+ 0 0 21 -4,-0.4 4,-2.6 2,-0.2 5,-0.4 0.913 110.3 48.2 -56.7 -49.2 -19.6 -13.8 11.1 59 59 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 15,-0.3 0.942 115.5 45.4 -62.9 -43.2 -21.7 -11.0 12.4 60 60 A V H X S+ 0 0 16 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.940 116.5 43.5 -66.0 -51.2 -21.7 -9.2 9.0 61 61 A T H X S+ 0 0 82 -4,-3.0 4,-1.7 -5,-0.2 -2,-0.2 0.934 119.2 42.3 -61.2 -50.7 -22.3 -12.4 6.8 62 62 A D H X S+ 0 0 54 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.861 112.4 56.9 -62.5 -36.1 -25.1 -13.8 9.1 63 63 A G H >X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.4 3,-0.7 0.944 104.4 50.9 -63.1 -46.8 -26.5 -10.2 9.5 64 64 A M H >< S+ 0 0 102 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.964 110.7 48.3 -54.4 -54.5 -26.9 -9.9 5.7 65 65 A A H 3< S+ 0 0 91 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.687 102.2 66.2 -56.5 -22.0 -28.8 -13.2 5.6 66 66 A S H << S- 0 0 35 -4,-1.2 4,-0.3 -3,-0.7 -1,-0.2 0.738 101.9-139.5 -77.9 -25.4 -31.0 -12.1 8.5 67 67 A G X<> - 0 0 22 -3,-1.4 5,-2.5 -4,-1.1 3,-1.4 0.194 20.5 -69.4 93.8 159.4 -32.6 -9.4 6.4 68 68 A L G > 5S+ 0 0 61 1,-0.3 3,-2.4 3,-0.2 -1,-0.1 0.885 123.7 61.5 -50.2 -46.1 -33.8 -5.8 6.6 69 69 A D G 3 5S+ 0 0 158 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.736 106.0 47.8 -61.5 -25.3 -36.7 -6.6 8.9 70 70 A K G X 5S- 0 0 119 -3,-1.4 3,-1.7 -4,-0.3 -1,-0.3 -0.072 121.6-105.2 -99.5 27.5 -34.2 -7.8 11.5 71 71 A D T < 5 - 0 0 35 -3,-2.4 -3,-0.2 1,-0.3 42,-0.2 0.712 66.7 -74.7 54.8 21.1 -31.9 -4.7 11.1 72 72 A F T 3 - 0 0 87 -2,-0.4 3,-0.8 -15,-0.3 -11,-0.1 -0.624 45.2-111.3 -63.3 127.0 -28.8 -12.3 13.4 75 75 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.274 93.7 7.1 -56.6 146.2 -31.2 -12.3 16.5 76 76 A D T 3 S+ 0 0 171 1,-0.2 2,-0.8 2,-0.1 -2,-0.0 0.843 82.5 173.5 49.9 43.5 -29.7 -13.2 19.9 77 77 A D X - 0 0 14 -3,-0.8 3,-1.4 1,-0.1 -1,-0.2 -0.767 24.0-158.9 -85.3 110.4 -26.1 -13.3 18.5 78 78 A S T 3 S+ 0 0 123 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.556 86.5 68.8 -69.2 -6.7 -23.8 -13.8 21.4 79 79 A R T 3 S+ 0 0 51 -24,-0.1 2,-0.6 -28,-0.1 -27,-0.4 0.739 78.4 93.4 -83.2 -20.7 -20.9 -12.4 19.4 80 80 A V < - 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