==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 02-NOV-11 3UGE . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.J.PANZNER,S.M.BILLINOVICH,J.A.PARKER,E.BLADHOLM,S.M.BERRY, . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 19.5 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 . 4 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 . 27 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 0 0 0 0 0 0 4 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 4 4 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 . 8 4 0 8 0 0 4 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 4 0 4 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 0 114 0, 0.0 3,-1.7 0, 0.0 2,-1.0 0.000 360.0 360.0 360.0 130.8 16.5 27.8 -11.3 2 2 A E T 3 - 0 0 191 1,-0.3 3,-0.1 27,-0.0 0, 0.0 -0.186 360.0 -32.4 -54.4 88.8 17.2 29.0 -14.9 3 3 A a T 3 S+ 0 0 31 -2,-1.0 27,-2.0 1,-0.2 2,-0.3 0.613 121.4 77.9 78.2 23.1 18.1 25.8 -16.7 4 4 A S E < -a 30 0A 36 -3,-1.7 2,-0.3 25,-0.2 27,-0.2 -0.975 51.9-160.8-149.1 165.7 19.8 23.8 -13.9 5 5 A V E -a 31 0A 34 25,-1.9 27,-2.5 -2,-0.3 2,-0.5 -0.987 14.1-141.5-144.2 142.2 18.9 21.7 -10.8 6 6 A D E -a 32 0A 110 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.938 25.5-175.3-108.1 131.1 21.1 20.7 -7.8 7 7 A I E -a 33 0A 1 25,-2.8 27,-1.8 -2,-0.5 2,-0.4 -0.976 11.0-156.2-133.5 138.6 20.4 17.2 -6.5 8 8 A Q E -a 34 0A 86 -2,-0.4 8,-1.4 25,-0.2 2,-0.4 -0.916 3.8-160.9-115.0 145.0 21.8 15.3 -3.5 9 9 A G B -C 15 0B 0 25,-1.8 6,-0.2 -2,-0.4 37,-0.1 -0.999 23.1-158.3-120.8 125.0 22.1 11.5 -3.0 10 10 A N > - 0 0 22 4,-2.1 3,-1.0 -2,-0.4 27,-0.1 -0.224 33.9 -94.0-100.1-176.0 22.5 10.6 0.7 11 11 A D T 3 S+ 0 0 12 1,-0.2 26,-0.1 2,-0.1 -1,-0.0 0.357 119.6 63.9 -78.1 4.0 23.8 7.6 2.8 12 12 A Q T 3 S- 0 0 93 2,-0.2 -1,-0.2 32,-0.0 25,-0.0 0.067 118.7-104.2-112.3 22.0 20.3 6.2 2.9 13 13 A M S < S+ 0 0 2 -3,-1.0 2,-0.4 1,-0.2 -2,-0.1 0.869 78.3 130.4 59.2 44.0 19.9 5.6 -0.9 14 14 A Q - 0 0 24 -4,-0.1 -4,-2.1 107,-0.1 2,-0.3 -0.986 49.4-150.4-130.0 133.8 17.7 8.7 -1.5 15 15 A F B -C 9 0B 17 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.697 28.5-125.4 -81.4 155.3 17.7 11.6 -4.0 16 16 A N S S+ 0 0 62 -8,-1.4 2,-0.3 -2,-0.3 -7,-0.1 0.247 90.3 39.6 -89.3 11.6 16.2 14.8 -2.6 17 17 A T - 0 0 36 -9,-0.2 -2,-0.1 387,-0.1 3,-0.1 -0.977 49.8-170.5-150.3 154.5 13.8 15.1 -5.5 18 18 A N S S+ 0 0 25 -2,-0.3 106,-2.6 1,-0.2 2,-0.3 0.232 77.8 52.7-121.5 7.7 11.6 12.8 -7.6 19 19 A A E -d 124 0C 51 104,-0.2 2,-0.4 384,-0.1 106,-0.2 -0.953 57.4-173.1-150.8 123.0 10.5 15.3 -10.3 20 20 A I E -d 125 0C 6 104,-2.6 106,-2.7 -2,-0.3 2,-0.5 -0.975 10.2-154.8-119.9 131.5 12.5 17.7 -12.5 21 21 A T E -d 126 0C 77 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.913 4.4-163.4-103.9 129.1 11.0 20.3 -14.8 22 22 A V E -d 127 0C 0 104,-2.7 106,-2.8 -2,-0.5 2,-0.2 -0.970 20.1-132.4-114.4 113.8 13.0 21.4 -17.8 23 23 A D > - 0 0 83 -2,-0.5 3,-2.0 104,-0.2 104,-0.1 -0.449 11.0-133.5 -66.8 130.2 11.7 24.7 -19.3 24 24 A K T 3 S+ 0 0 129 104,-2.2 -1,-0.2 1,-0.3 103,-0.0 0.750 103.2 68.4 -55.6 -24.8 11.3 24.4 -23.1 25 25 A S T 3 S+ 0 0 99 74,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.678 77.1 101.9 -69.2 -20.1 13.1 27.8 -23.3 26 26 A a < - 0 0 9 -3,-2.0 3,-0.1 1,-0.2 73,-0.1 -0.492 54.3-164.2 -73.5 132.3 16.4 26.3 -22.1 27 27 A K S S+ 0 0 167 -2,-0.2 72,-2.2 1,-0.2 73,-0.6 0.894 82.9 13.7 -72.2 -45.6 19.1 25.7 -24.7 28 28 A Q E - B 0 98A 105 70,-0.2 2,-0.4 71,-0.1 -1,-0.2 -0.909 69.3-150.3-128.7 154.2 21.0 23.5 -22.3 29 29 A F E - B 0 97A 5 68,-2.3 68,-2.1 -2,-0.3 2,-0.4 -0.997 12.4-159.4-128.7 138.3 20.1 21.9 -19.0 30 30 A T E -aB 4 96A 32 -27,-2.0 -25,-1.9 -2,-0.4 2,-0.5 -0.939 7.0-160.2-121.4 134.7 22.6 21.1 -16.2 31 31 A V E -aB 5 95A 0 64,-2.7 64,-2.2 -2,-0.4 2,-0.6 -0.962 5.0-161.8-111.9 128.3 22.4 18.8 -13.2 32 32 A N E -aB 6 94A 50 -27,-2.5 -25,-2.8 -2,-0.5 2,-0.4 -0.933 14.8-166.5-110.1 106.4 24.7 19.4 -10.3 33 33 A L E +aB 7 93A 2 60,-2.8 60,-2.3 -2,-0.6 2,-0.3 -0.795 12.2 168.4-100.8 136.4 25.0 16.2 -8.2 34 34 A S E -aB 8 92A 31 -27,-1.8 -25,-1.8 -2,-0.4 58,-0.2 -0.835 25.0-138.0-138.4 174.5 26.5 15.9 -4.7 35 35 A H - 0 0 5 56,-0.8 55,-1.8 -2,-0.3 56,-0.2 -0.681 11.7-163.8-146.7 83.0 26.6 13.3 -1.9 36 36 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.247 56.4 52.7 -57.4 156.4 26.0 14.3 1.7 37 37 A G S S- 0 0 36 -27,-0.1 -2,-0.1 1,-0.1 -27,-0.0 -0.747 88.1 -89.3 114.5-159.7 27.1 11.6 4.2 38 38 A N S S+ 0 0 143 -2,-0.3 -1,-0.1 51,-0.1 -28,-0.0 0.315 73.7 118.4-136.7 4.0 30.3 9.7 4.8 39 39 A L - 0 0 17 -3,-0.2 50,-2.3 5,-0.1 5,-0.0 -0.608 60.3-116.9 -89.0 140.7 30.1 6.5 2.8 40 40 A P >> - 0 0 62 0, 0.0 4,-2.6 0, 0.0 3,-1.1 -0.193 26.5-106.1 -69.7 161.2 32.6 5.6 -0.0 41 41 A K H 3> S+ 0 0 79 1,-0.2 4,-1.1 2,-0.2 46,-0.1 0.774 116.3 56.3 -58.6 -31.4 31.7 5.3 -3.7 42 42 A N H 34 S+ 0 0 46 2,-0.2 -1,-0.2 1,-0.2 26,-0.1 0.737 118.2 33.2 -76.8 -20.7 32.0 1.5 -3.7 43 43 A V H <4 S+ 0 0 5 -3,-1.1 -2,-0.2 259,-0.0 -1,-0.2 0.748 141.0 9.1-100.6 -38.8 29.5 1.1 -1.0 44 44 A M H < S+ 0 0 0 -4,-2.6 -2,-0.2 2,-0.0 -3,-0.2 -0.200 81.3 161.6-143.9 44.8 27.0 4.0 -1.6 45 45 A G < - 0 0 0 -4,-1.1 2,-0.4 43,-0.1 43,-0.2 -0.442 18.3-162.6 -69.5 138.1 28.0 5.4 -4.9 46 46 A H B +H 87 0D 0 41,-2.3 41,-2.4 -2,-0.2 2,-0.3 -0.972 13.4 173.5-124.3 141.8 25.5 7.6 -6.7 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.2 39,-0.1 -0.851 28.1-129.9-126.6 170.6 25.1 8.8 -10.3 48 48 A W + 0 0 0 -2,-0.3 36,-2.1 37,-0.3 2,-0.4 -0.985 31.9 178.0-122.7 115.7 22.4 10.7 -12.1 49 49 A V E -EF 83 111C 0 62,-2.4 62,-1.7 -2,-0.5 2,-0.4 -0.949 12.5-155.6-124.6 137.8 21.3 9.0 -15.4 50 50 A L E +EF 82 110C 0 32,-2.5 31,-2.4 -2,-0.4 32,-0.8 -0.963 26.7 136.9-119.8 128.7 18.6 10.0 -17.8 51 51 A S E - F 0 109C 0 58,-2.2 58,-2.7 -2,-0.4 29,-0.1 -0.936 57.0 -75.8-146.8 176.4 16.7 7.9 -20.3 52 52 A T E > - F 0 108C 18 27,-0.4 4,-0.9 -2,-0.3 3,-0.4 -0.440 48.2-112.9 -66.1 153.2 13.2 7.4 -21.7 53 53 A A T >4 S+ 0 0 6 54,-2.6 3,-0.5 1,-0.2 4,-0.4 0.857 118.9 56.0 -52.5 -40.6 11.0 5.5 -19.2 54 54 A A T 34 S+ 0 0 48 53,-0.4 4,-0.3 1,-0.2 3,-0.3 0.871 109.2 45.3 -62.6 -35.6 11.0 2.6 -21.7 55 55 A D T 3> S+ 0 0 50 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.575 87.3 92.8 -85.3 -10.8 14.8 2.4 -21.8 56 56 A M H S+ 0 0 18 -4,-0.4 4,-2.9 -3,-0.3 -1,-0.2 0.923 111.3 49.0 -64.4 -46.0 15.4 -1.1 -17.2 58 58 A G H > S+ 0 0 5 -4,-0.3 4,-2.1 1,-0.2 5,-0.3 0.879 112.5 49.6 -58.5 -39.8 17.9 -2.1 -20.0 59 59 A V H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 15,-0.3 0.924 112.4 46.5 -64.5 -43.8 20.2 0.7 -18.9 60 60 A V H X S+ 0 0 12 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.951 114.2 47.9 -67.6 -43.4 20.1 -0.4 -15.2 61 61 A T H X S+ 0 0 38 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.959 115.5 41.9 -60.4 -54.9 20.6 -4.1 -16.1 62 62 A D H X S+ 0 0 29 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.837 114.5 55.1 -64.9 -30.7 23.6 -3.6 -18.5 63 63 A G H X S+ 0 0 0 -4,-1.9 4,-1.0 -5,-0.3 3,-0.5 0.928 104.1 51.0 -68.0 -46.7 24.9 -1.0 -16.0 64 64 A M H >< S+ 0 0 31 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.957 112.6 49.0 -50.7 -49.0 25.0 -3.3 -13.1 65 65 A A H 3< S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.725 99.9 66.8 -66.5 -23.9 26.9 -5.8 -15.3 66 66 A S H 3< S- 0 0 29 -4,-1.1 -1,-0.2 -3,-0.5 4,-0.2 0.772 98.4-139.4 -68.4 -31.0 29.4 -3.1 -16.4 67 67 A G X<> - 0 0 24 -4,-1.0 5,-2.4 -3,-1.0 3,-1.0 -0.002 25.3 -66.4 93.3 165.2 31.0 -2.8 -12.9 68 68 A L G > 5S+ 0 0 49 1,-0.2 3,-2.2 3,-0.2 18,-0.1 0.848 123.9 61.3 -56.7 -41.4 32.3 0.1 -10.7 69 69 A D G 3 5S+ 0 0 160 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.761 106.7 47.2 -66.7 -22.6 35.2 1.1 -12.9 70 70 A K G X 5S- 0 0 113 -3,-1.0 3,-1.1 -4,-0.2 -1,-0.3 0.113 119.6-110.4 -97.4 17.2 32.7 2.0 -15.7 71 71 A D T < 5 - 0 0 30 -3,-2.2 -3,-0.2 1,-0.2 42,-0.2 0.788 66.0 -69.0 53.3 35.4 30.5 3.9 -13.2 72 72 A Y T 3 - 0 0 83 -2,-0.4 3,-1.4 -15,-0.3 -11,-0.1 -0.575 46.9-106.9 -65.0 123.1 27.4 0.3 -20.5 75 75 A P T 3 S+ 0 0 64 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.293 97.1 2.4 -51.4 136.5 30.0 2.3 -22.5 76 76 A D T 3 S+ 0 0 167 1,-0.2 2,-0.5 2,-0.1 -2,-0.0 0.766 83.7 178.9 59.5 30.0 28.5 4.2 -25.4 77 77 A D X - 0 0 16 -3,-1.4 3,-1.4 1,-0.2 -1,-0.2 -0.528 20.3-154.5 -70.6 115.0 25.0 3.2 -24.5 78 78 A S T 3 S+ 0 0 120 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.722 88.5 62.9 -62.6 -25.8 22.7 4.9 -27.0 79 79 A R T 3 S+ 0 0 49 -24,-0.1 2,-0.8 -28,-0.1 -27,-0.4 0.622 81.1 91.9 -72.5 -17.7 19.7 4.9 -24.6 80 80 A V < - 0 0 23 -3,-1.4 -29,-0.2 1,-0.2 3,-0.1 -0.737 53.2-174.7 -87.0 109.7 21.5 7.2 -22.1 81 81 A I - 0 0 37 -31,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.912 69.3 -17.7 -69.6 -44.5 20.6 10.8 -22.9 82 82 A A E +E 50 0C 9 -32,-0.8 -32,-2.5 15,-0.1 2,-0.3 -0.977 65.7 179.7-157.5 153.1 22.9 12.2 -20.3 83 83 A H E -E 49 0C 88 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.990 19.3-138.6-157.2 150.2 24.8 11.1 -17.1 84 84 A T - 0 0 2 -36,-2.1 2,-0.1 -2,-0.3 11,-0.1 -0.432 41.6 -93.3 -84.5 175.4 27.1 12.2 -14.4 85 85 A K - 0 0 120 -2,-0.2 2,-0.3 9,-0.1 -37,-0.3 -0.409 47.5 -94.1 -73.0 162.4 30.0 10.2 -13.1 86 86 A L - 0 0 4 -18,-0.1 2,-0.3 -39,-0.1 -39,-0.2 -0.700 51.7-169.3 -74.8 136.3 29.4 7.9 -10.1 87 87 A I B -H 46 0D 6 -41,-2.4 -41,-2.3 -2,-0.3 2,-0.1 -0.945 16.5-146.6-134.2 149.0 30.4 9.8 -6.9 88 88 A G > - 0 0 2 -2,-0.3 3,-1.6 -43,-0.2 -53,-0.1 -0.421 53.3 -53.3 -95.0-177.1 31.0 9.0 -3.2 89 89 A S T 3 S+ 0 0 32 -50,-2.3 -1,-0.2 1,-0.2 -48,-0.1 -0.296 125.2 20.5 -58.4 140.5 30.4 11.2 -0.1 90 90 A G T 3 S+ 0 0 76 -55,-1.8 -1,-0.2 1,-0.3 2,-0.2 0.305 102.4 111.3 83.7 -5.6 32.0 14.7 -0.3 91 91 A E < - 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