==== 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 10-OCT-12 4HHW . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.J.WARREN,N.HERRERA,H.B.GRAY . 256 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 8.2 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 . 28 10.9 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 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 1 1 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 0 130 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 54.8 -18.7 13.0 27.0 2 2 A E + 0 0 172 3,-0.0 21,-0.4 1,-0.0 24,-0.1 0.767 360.0 20.3 -96.8 -41.3 -16.4 11.1 29.3 3 3 A a S S+ 0 0 30 19,-0.1 27,-1.7 22,-0.0 2,-0.3 -0.190 120.9 67.7-118.8 37.4 -17.9 7.7 28.8 4 4 A S E -a 30 0A 37 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.938 53.2-161.2-141.7 169.7 -19.7 8.3 25.5 5 5 A V E -a 31 0A 38 25,-1.4 27,-2.5 -2,-0.3 2,-0.5 -0.973 15.5-139.5-144.5 146.9 -19.2 9.0 21.9 6 6 A D E -a 32 0A 102 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.937 25.8-174.3-101.5 134.5 -21.4 10.4 19.2 7 7 A I E -a 33 0A 0 25,-2.7 27,-1.9 -2,-0.5 2,-0.4 -0.969 9.0-159.0-132.2 140.4 -21.1 8.7 15.8 8 8 A Q E -a 34 0A 81 -2,-0.4 8,-1.8 25,-0.2 2,-0.4 -0.962 6.0-163.9-120.5 135.7 -22.7 9.5 12.5 9 9 A G B -C 15 0B 0 25,-2.1 28,-0.5 -2,-0.4 6,-0.2 -0.982 26.7-170.5-107.7 137.5 -23.3 7.3 9.5 10 10 A N > - 0 0 36 4,-1.7 3,-1.1 -2,-0.4 4,-0.1 -0.398 39.4 -85.5-121.9-167.5 -24.0 9.4 6.4 11 11 A D T 3 S+ 0 0 31 1,-0.3 24,-0.0 2,-0.1 78,-0.0 0.716 118.8 65.7 -77.6 -17.8 -25.1 9.1 2.7 12 12 A Q T 3 S- 0 0 93 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.159 114.8-111.5 -91.2 19.5 -21.6 8.4 1.6 13 13 A M S < S+ 0 0 49 -3,-1.1 2,-0.4 1,-0.2 -2,-0.1 0.857 78.2 121.4 56.0 34.2 -21.5 5.1 3.5 14 14 A Q - 0 0 4 107,-0.1 -4,-1.7 -4,-0.1 2,-0.2 -0.985 59.7-135.8-122.5 148.4 -19.0 6.3 6.0 15 15 A F B -C 9 0B 0 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.578 31.7-119.9 -77.0 157.0 -18.9 6.6 9.8 16 16 A N S S+ 0 0 35 -8,-1.8 131,-2.3 -2,-0.2 132,-0.5 0.736 94.4 35.1 -69.3 -19.0 -17.5 9.9 10.9 17 17 A T B -D 146 0C 18 -9,-0.3 129,-0.2 129,-0.2 -2,-0.2 -0.896 52.2-164.2-137.6 160.5 -14.7 8.0 12.7 18 18 A N S S+ 0 0 6 127,-2.2 106,-1.8 -2,-0.3 2,-0.4 0.273 80.2 52.4-122.9 2.4 -12.6 4.9 12.4 19 19 A A E -e 124 0D 48 126,-0.7 2,-0.4 104,-0.2 -1,-0.2 -0.987 55.5-175.7-149.2 125.3 -11.4 4.7 16.0 20 20 A I E -e 125 0D 6 104,-2.2 106,-1.8 -2,-0.4 2,-0.5 -0.968 10.4-159.2-118.3 142.8 -13.2 4.8 19.3 21 21 A T E -e 126 0D 74 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.983 3.6-157.8-122.6 126.1 -11.3 4.8 22.6 22 22 A V E -e 127 0D 0 104,-3.2 106,-3.2 -2,-0.5 2,-0.5 -0.936 22.5-120.6-107.3 129.8 -13.0 3.7 25.8 23 23 A D > - 0 0 64 -2,-0.5 3,-3.3 -21,-0.4 104,-0.1 -0.577 11.8-140.0 -71.5 118.1 -11.6 5.0 29.2 24 24 A K T 3 S+ 0 0 114 104,-3.8 -1,-0.2 -2,-0.5 75,-0.0 0.814 103.5 64.5 -36.9 -43.3 -10.5 2.0 31.4 25 25 A S T 3 S+ 0 0 97 103,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.370 81.2 111.9 -66.2 -2.4 -12.0 4.0 34.2 26 26 A a < - 0 0 10 -3,-3.3 73,-0.1 1,-0.1 3,-0.1 -0.526 51.0-163.4 -78.5 142.6 -15.6 3.8 32.7 27 27 A K S S+ 0 0 176 1,-0.3 72,-1.9 -2,-0.2 73,-0.4 0.934 81.2 0.8 -79.7 -56.2 -18.4 1.9 34.3 28 28 A Q E - B 0 98A 79 70,-0.2 2,-0.4 71,-0.1 -1,-0.3 -0.830 69.4-139.7-127.3 162.2 -20.6 1.8 31.2 29 29 A F E - B 0 97A 4 68,-2.3 68,-2.1 -2,-0.3 2,-0.4 -0.992 10.6-159.0-130.8 137.9 -20.1 3.2 27.6 30 30 A T E -aB 4 96A 32 -27,-1.7 -25,-1.4 -2,-0.4 2,-0.5 -0.961 3.6-165.7-117.7 137.4 -22.7 4.9 25.4 31 31 A V E -aB 5 95A 0 64,-2.6 64,-2.5 -2,-0.4 2,-0.7 -0.994 8.7-159.1-123.4 122.0 -22.6 5.2 21.6 32 32 A N E -aB 6 94A 46 -27,-2.5 -25,-2.7 -2,-0.5 2,-0.4 -0.917 12.1-164.6-107.8 104.8 -25.0 7.7 20.2 33 33 A L E +aB 7 93A 1 60,-2.9 60,-2.7 -2,-0.7 2,-0.3 -0.731 12.5 169.8 -98.4 137.6 -25.7 7.0 16.5 34 34 A S E -aB 8 92A 36 -27,-1.9 -25,-2.1 -2,-0.4 58,-0.2 -0.944 27.9-139.3-140.8 164.6 -27.3 9.5 14.1 35 35 A H + 0 0 3 56,-1.6 55,-2.6 -2,-0.3 56,-0.3 -0.875 15.9 179.2-131.9 93.6 -27.9 9.6 10.4 36 36 A P + 0 0 83 0, 0.0 -26,-0.1 0, 0.0 -1,-0.1 0.321 54.8 97.0 -76.2 6.3 -27.4 13.2 9.0 37 37 A G S S- 0 0 11 -28,-0.5 53,-0.3 2,-0.1 -2,-0.1 0.049 77.4-123.5 -79.8-167.0 -28.1 12.0 5.4 38 38 A N S S+ 0 0 142 51,-0.1 -1,-0.1 2,-0.1 50,-0.0 0.434 74.9 103.3-113.2 -11.4 -31.3 12.1 3.2 39 39 A L - 0 0 57 5,-0.1 50,-2.6 1,-0.1 -2,-0.1 -0.526 68.3-121.0 -85.6 143.2 -31.5 8.4 2.4 40 40 A P >> - 0 0 59 0, 0.0 4,-2.5 0, 0.0 3,-1.1 -0.225 36.1 -90.6 -75.4 169.1 -34.0 6.1 4.1 41 41 A K H 3> S+ 0 0 71 1,-0.2 4,-1.1 2,-0.2 46,-0.1 0.730 122.9 52.5 -43.2 -37.1 -33.2 3.0 6.0 42 42 A N H 34 S+ 0 0 97 2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.735 115.0 37.7 -75.5 -29.3 -33.5 0.7 2.9 43 43 A V H <4 S+ 0 0 72 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.1 0.915 143.0 0.2 -86.7 -40.3 -31.1 2.6 0.7 44 44 A M H < S+ 0 0 25 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.1 -0.304 79.2 163.5-152.4 46.1 -28.5 3.6 3.3 45 45 A G < - 0 0 0 -4,-1.1 2,-0.4 43,-0.1 43,-0.2 -0.413 17.1-165.2 -72.4 144.4 -29.6 2.2 6.7 46 46 A H B +I 87 0E 1 41,-2.3 41,-3.2 -37,-0.1 2,-0.3 -0.993 13.0 178.7-132.7 141.0 -26.8 2.2 9.3 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.3 39,-0.1 -0.801 28.1-125.7-120.4 173.5 -26.4 0.4 12.7 48 48 A F - 0 0 0 -2,-0.3 36,-2.0 37,-0.2 2,-0.4 -0.995 33.4-179.9-121.3 121.2 -23.5 0.4 15.1 49 49 A V E -FG 83 111D 0 62,-1.7 62,-1.4 -2,-0.5 2,-0.5 -0.988 11.0-162.7-130.1 131.1 -22.4 -3.1 15.9 50 50 A L E +FG 82 110D 0 32,-3.0 31,-3.1 -2,-0.4 32,-1.1 -0.970 24.6 137.2-120.3 124.9 -19.6 -4.1 18.3 51 51 A S E - G 0 109D 0 58,-2.2 58,-2.5 -2,-0.5 29,-0.1 -0.879 58.0 -74.1-142.3-178.7 -17.9 -7.5 18.4 52 52 A T E >> - G 0 108D 19 27,-0.5 4,-0.9 -2,-0.3 3,-0.6 -0.417 51.0-109.3 -70.4 161.2 -14.4 -9.0 18.7 53 53 A A H >> S+ 0 0 34 54,-2.3 3,-0.7 1,-0.2 4,-0.5 0.892 119.0 52.8 -63.3 -37.0 -12.4 -8.6 15.5 54 54 A A H 34 S+ 0 0 89 53,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.757 109.0 49.4 -66.7 -27.3 -12.6 -12.4 14.9 55 55 A D H <> S+ 0 0 55 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.623 88.2 87.9 -85.7 -11.1 -16.4 -12.4 15.2 56 56 A M H S+ 0 0 22 -4,-0.4 4,-2.3 1,-0.2 5,-0.4 0.899 110.8 52.8 -65.1 -40.1 -19.6 -13.9 11.0 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 15,-0.4 0.928 113.2 43.2 -62.9 -46.2 -21.7 -11.1 12.4 60 60 A V H X S+ 0 0 28 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.936 115.7 47.2 -61.7 -53.9 -21.9 -9.3 9.0 61 61 A T H X S+ 0 0 97 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.913 116.6 42.5 -57.8 -51.8 -22.6 -12.5 6.9 62 62 A D H X S+ 0 0 52 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.836 112.4 57.6 -64.9 -34.7 -25.3 -13.8 9.2 63 63 A G H >X S+ 0 0 0 -4,-1.7 4,-1.0 -5,-0.4 3,-0.7 0.954 105.0 48.1 -59.9 -50.3 -26.7 -10.2 9.4 64 64 A M H >< S+ 0 0 102 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.978 111.4 52.0 -53.9 -54.1 -27.1 -9.9 5.7 65 65 A A H 3< S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.752 101.2 64.3 -48.7 -27.9 -28.9 -13.3 5.7 66 66 A S H << S- 0 0 34 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.735 101.2-138.6 -80.0 -27.9 -31.2 -12.0 8.4 67 67 A G X<> - 0 0 23 -3,-1.5 5,-2.0 -4,-1.0 3,-1.6 0.190 24.9 -69.1 96.6 161.8 -32.8 -9.4 6.3 68 68 A L G > 5S+ 0 0 61 1,-0.3 3,-2.3 3,-0.2 -1,-0.1 0.851 122.8 62.7 -53.9 -39.6 -34.0 -5.8 6.6 69 69 A D G 3 5S+ 0 0 158 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.685 105.5 47.6 -65.0 -20.3 -36.8 -6.5 9.0 70 70 A K G X 5S- 0 0 119 -3,-1.6 3,-1.1 -7,-0.1 -1,-0.3 -0.008 121.9-106.2-105.5 21.7 -34.3 -7.8 11.6 71 71 A D T < 5 - 0 0 34 -3,-2.3 -3,-0.2 1,-0.3 42,-0.2 0.715 65.4 -73.5 60.7 22.4 -32.1 -4.7 11.2 72 72 A F T 3 - 0 0 81 -15,-0.4 3,-0.9 -2,-0.4 -11,-0.1 -0.546 45.4-110.9 -62.1 124.2 -28.9 -12.3 13.5 75 75 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.319 94.5 4.9 -56.6 141.1 -31.4 -12.3 16.4 76 76 A D T 3 S+ 0 0 170 1,-0.2 2,-0.7 2,-0.1 -2,-0.0 0.841 82.5 173.0 53.3 45.2 -29.9 -13.2 19.8 77 77 A D X - 0 0 13 -3,-0.9 3,-1.6 1,-0.2 -1,-0.2 -0.751 24.1-158.5 -92.1 116.4 -26.3 -13.3 18.5 78 78 A S T 3 S+ 0 0 120 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.565 85.8 71.1 -77.1 -6.0 -24.0 -13.8 21.4 79 79 A R T 3 S+ 0 0 50 -24,-0.1 2,-0.6 -28,-0.1 -27,-0.5 0.698 78.6 89.4 -75.5 -21.7 -21.1 -12.5 19.4 80 80 A V < - 0 0 18 -3,-1.6 -29,-0.2 1,-0.2 3,-0.1 -0.707 51.5-177.9 -88.1 122.0 -22.5 -9.0 19.5 81 81 A I S S+ 0 0 29 -31,-3.1 2,-0.3 -2,-0.6 -1,-0.2 0.882 74.8 0.2 -82.9 -40.8 -21.2 -7.0 22.5 82 82 A A E +F 50 0D 5 -32,-1.1 -32,-3.0 15,-0.1 -1,-0.3 -0.998 68.2 175.5-148.7 143.0 -23.3 -3.9 21.7 83 83 A Q E -F 49 0D 89 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.995 14.5-155.7-147.3 144.5 -25.7 -3.0 18.9 84 84 A T - 0 0 3 -36,-2.0 2,-0.1 -2,-0.3 11,-0.1 -0.563 39.0 -91.6 -91.1 174.3 -28.0 -0.2 18.0 85 85 A K - 0 0 138 -2,-0.2 2,-0.4 9,-0.1 -37,-0.2 -0.418 49.1 -93.5 -64.9 159.2 -31.1 -0.4 15.8 86 86 A L - 0 0 5 -39,-0.1 2,-0.3 -2,-0.1 -39,-0.3 -0.683 52.6-169.2 -78.3 128.4 -30.7 0.1 12.1 87 87 A I B -I 46 0E 6 -41,-3.2 -41,-2.3 -2,-0.4 2,-0.2 -0.934 13.9-161.0-125.3 152.6 -31.5 3.8 11.3 88 88 A G > - 0 0 2 -2,-0.3 3,-2.3 1,-0.2 -53,-0.2 -0.428 53.5 -33.8-117.6-172.0 -32.1 6.0 8.2 89 89 A S T 3 S+ 0 0 45 -50,-2.6 -1,-0.2 1,-0.3 -48,-0.1 -0.115 127.1 7.9 -51.3 137.1 -32.0 9.7 7.5 90 90 A G T 3 S+ 0 0 72 -55,-2.6 -1,-0.3 -53,-0.3 2,-0.2 0.444 103.5 113.2 71.0 1.8 -33.0 11.9 10.4 91 91 A E < - 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