==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 16-SEP-01 1JZJ . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.R.CRANE,A.J.DI BILIO,J.R.WINKLER,H.B.GRAY . 256 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.3 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 . 51 19.9 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.9 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 1 1 0 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 . 3 3 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 . 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 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 88 0, 0.0 2,-0.5 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 177.4 -29.8 12.8 63.8 2 2 A E - 0 0 137 1,-0.1 21,-0.5 2,-0.0 24,-0.1 -0.897 360.0-165.9 -97.8 136.8 -26.3 12.0 64.8 3 3 A a + 0 0 39 -2,-0.5 27,-2.0 19,-0.1 2,-0.3 -0.120 61.4 57.7-114.7 36.3 -24.4 15.2 64.9 4 4 A S E -a 30 0A 44 25,-0.2 2,-0.3 92,-0.1 27,-0.2 -0.977 54.8-163.8-157.0 164.1 -20.9 13.8 65.1 5 5 A V E -a 31 0A 36 25,-1.8 27,-2.8 -2,-0.3 2,-0.6 -0.981 18.3-134.2-155.8 139.9 -18.5 11.4 63.3 6 6 A D E -a 32 0A 112 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.894 27.8-172.3 -98.4 123.0 -15.3 9.6 64.2 7 7 A I E -a 33 0A 0 25,-2.4 27,-2.2 -2,-0.6 2,-0.4 -0.949 8.8-155.2-120.4 140.7 -12.6 9.9 61.5 8 8 A Q E -a 34 0A 89 -2,-0.4 8,-1.7 25,-0.2 2,-0.5 -0.926 4.8-165.9-116.1 137.6 -9.3 8.2 61.3 9 9 A G E -C 15 0B 0 25,-1.9 6,-0.2 -2,-0.4 2,-0.1 -0.974 23.1-168.8-121.2 112.6 -6.1 9.4 59.5 10 10 A N E >> -C 14 0B 48 4,-2.0 3,-1.8 -2,-0.5 4,-0.5 -0.419 39.1 -97.5-102.2 177.7 -3.6 6.6 59.2 11 11 A D T 34 S+ 0 0 8 25,-0.4 234,-0.2 1,-0.3 26,-0.1 0.432 116.7 69.4 -68.3 -2.2 0.1 6.0 58.2 12 12 A Q T 34 S- 0 0 103 2,-0.2 -1,-0.3 232,-0.1 3,-0.1 0.277 116.4-112.3 -97.7 7.3 -1.1 5.1 54.7 13 13 A M T <4 S+ 0 0 0 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.953 76.1 127.0 59.3 54.4 -2.1 8.7 54.1 14 14 A Q E < -C 10 0B 78 -4,-0.5 -4,-2.0 107,-0.1 2,-0.4 -1.000 55.9-142.0-144.7 138.6 -5.8 7.9 54.1 15 15 A F E -C 9 0B 7 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.796 26.7-129.2 -92.8 139.3 -9.0 9.1 55.9 16 16 A N S S+ 0 0 87 -8,-1.7 2,-0.3 -2,-0.4 -7,-0.1 0.298 94.3 52.5 -75.3 16.0 -11.3 6.1 56.6 17 17 A T - 0 0 38 -9,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.986 52.3-177.6-150.5 136.8 -14.1 8.2 55.0 18 18 A N S S+ 0 0 105 -2,-0.3 106,-2.2 1,-0.3 2,-0.3 0.427 78.4 38.8-111.6 -5.9 -14.2 10.0 51.7 19 19 A A E -d 124 0C 59 104,-0.2 2,-0.4 90,-0.0 -1,-0.3 -0.960 60.5-168.2-152.1 129.5 -17.7 11.5 52.2 20 20 A I E -d 125 0C 7 104,-3.2 106,-2.3 -2,-0.3 2,-0.5 -0.947 6.0-160.0-120.3 136.4 -19.4 13.1 55.2 21 21 A T E -d 126 0C 84 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.973 5.9-158.5-117.2 122.9 -23.1 14.0 55.4 22 22 A V E -d 127 0C 0 104,-3.3 106,-3.0 -2,-0.5 2,-0.2 -0.917 18.5-129.7-103.6 124.6 -24.3 16.5 58.0 23 23 A D > - 0 0 64 -2,-0.5 3,-1.6 -21,-0.5 76,-0.1 -0.516 9.8-132.5 -75.0 139.4 -28.0 16.3 58.9 24 24 A K T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -2,-0.2 103,-0.0 0.690 101.9 69.2 -63.2 -23.4 -29.9 19.6 58.8 25 25 A S T 3 S+ 0 0 76 -23,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.745 82.4 95.9 -68.6 -19.8 -31.4 19.0 62.3 26 26 A a < - 0 0 6 -3,-1.6 3,-0.1 1,-0.2 -24,-0.0 -0.518 49.2-177.0 -75.7 131.5 -28.0 19.5 63.7 27 27 A K S S+ 0 0 178 1,-0.3 72,-2.1 -2,-0.3 73,-0.5 0.710 81.6 25.4 -93.2 -29.3 -27.1 23.0 65.0 28 28 A Q E S- B 0 98A 129 70,-0.2 2,-0.4 71,-0.1 -1,-0.3 -0.939 71.5-157.2-131.9 152.6 -23.6 21.9 65.8 29 29 A F E - B 0 97A 5 68,-2.1 68,-2.4 -2,-0.3 2,-0.4 -0.992 7.0-154.4-133.7 140.2 -21.5 19.1 64.3 30 30 A T E -aB 4 96A 32 -27,-2.0 -25,-1.8 -2,-0.4 2,-0.5 -0.951 5.4-163.6-121.8 136.5 -18.5 17.3 65.8 31 31 A V E -aB 5 95A 0 64,-2.6 64,-1.8 -2,-0.4 2,-0.8 -0.975 6.0-161.2-117.4 120.3 -15.6 15.6 64.2 32 32 A N E -aB 6 94A 51 -27,-2.8 -25,-2.4 -2,-0.5 2,-0.4 -0.899 15.5-164.0-103.9 103.4 -13.5 13.2 66.5 33 33 A L E +aB 7 93A 2 60,-2.7 60,-2.0 -2,-0.8 2,-0.3 -0.747 13.8 169.8 -95.1 132.4 -10.2 12.7 64.8 34 34 A S E -aB 8 92A 36 -27,-2.2 -25,-1.9 -2,-0.4 58,-0.2 -0.807 23.6-140.1-128.5 172.3 -7.7 9.9 65.7 35 35 A H - 0 0 4 56,-0.7 55,-2.1 -2,-0.3 56,-0.2 -0.736 11.3-162.3-141.1 87.5 -4.6 8.7 64.0 36 36 A P + 0 0 49 0, 0.0 -25,-0.4 0, 0.0 2,-0.3 -0.315 55.7 55.4 -66.0 157.0 -3.8 4.9 63.8 37 37 A G S S- 0 0 49 -27,-0.2 -2,-0.1 1,-0.1 -27,-0.0 -0.815 84.4 -97.6 121.9-160.2 -0.2 4.0 63.1 38 38 A N S S+ 0 0 133 -2,-0.3 -1,-0.1 51,-0.1 -28,-0.0 0.421 73.2 118.3-140.7 -7.1 3.1 4.8 64.7 39 39 A L - 0 0 14 -3,-0.1 50,-2.0 1,-0.1 155,-0.0 -0.404 62.6-113.6 -71.6 139.2 4.5 7.7 62.7 40 40 A P >> - 0 0 75 0, 0.0 4,-2.3 0, 0.0 3,-1.3 -0.229 21.9-110.5 -69.8 159.6 5.2 11.1 64.4 41 41 A K H 3> S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.754 110.7 65.4 -62.8 -28.7 3.4 14.4 63.6 42 42 A N H 34 S+ 0 0 86 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.674 121.5 17.5 -73.1 -14.8 6.5 16.0 62.0 43 43 A V H <4 S+ 0 0 11 -3,-1.3 -2,-0.2 130,-0.0 -1,-0.2 0.505 142.4 24.7-128.8 -15.4 6.4 13.5 59.1 44 44 A M H < S+ 0 0 0 -4,-2.3 -3,-0.2 2,-0.0 -2,-0.2 0.026 79.7 150.7-142.1 30.3 2.9 12.0 59.2 45 45 A G < - 0 0 0 -4,-1.3 2,-0.4 -5,-0.1 43,-0.2 -0.323 24.1-164.3 -67.3 146.7 0.8 14.6 61.0 46 46 A H B +H 87 0D 0 41,-2.5 41,-3.4 -37,-0.1 2,-0.3 -0.991 12.1 175.3-135.5 140.1 -2.9 14.8 60.1 47 47 A N - 0 0 0 -2,-0.4 2,-0.6 39,-0.3 39,-0.1 -0.901 29.1-126.8-135.7 160.2 -5.5 17.5 60.7 48 48 A W + 0 0 0 -2,-0.3 36,-1.7 37,-0.3 2,-0.4 -0.975 33.4 179.9-112.6 113.6 -9.1 17.7 59.6 49 49 A V E -EF 83 111C 0 62,-2.6 62,-1.8 -2,-0.6 2,-0.4 -0.964 11.3-157.5-120.3 136.0 -9.8 21.0 57.8 50 50 A L E +EF 82 110C 0 32,-2.8 31,-2.8 -2,-0.4 32,-0.9 -0.904 26.5 134.8-116.9 136.6 -13.1 22.2 56.3 51 51 A S E - F 0 109C 0 58,-1.8 58,-2.7 -2,-0.4 29,-0.1 -0.935 56.3 -75.1-160.1 174.5 -13.7 24.8 53.6 52 52 A T E > - F 0 108C 23 27,-0.4 4,-1.3 -2,-0.3 3,-0.4 -0.402 46.5-111.7 -73.7 161.9 -15.7 25.4 50.5 53 53 A A T 4 S+ 0 0 47 54,-2.4 4,-0.5 1,-0.2 3,-0.3 0.884 120.0 57.2 -61.4 -37.2 -14.5 23.5 47.4 54 54 A A T 4 S+ 0 0 92 53,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.831 111.1 41.8 -62.2 -34.4 -13.5 26.9 45.9 55 55 A D T > S+ 0 0 56 -3,-0.4 4,-2.2 1,-0.1 5,-0.2 0.611 88.4 91.5 -91.4 -14.3 -11.2 27.6 48.9 56 56 A M H X S+ 0 0 39 -4,-1.3 4,-2.6 -3,-0.3 5,-0.2 0.889 85.2 47.8 -49.0 -56.7 -9.6 24.2 49.4 57 57 A Q H > S+ 0 0 133 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.901 113.7 48.2 -54.7 -44.9 -6.5 24.7 47.2 58 58 A G H > S+ 0 0 23 -4,-0.3 4,-2.8 2,-0.2 5,-0.3 0.887 111.3 49.2 -63.9 -41.5 -5.7 28.1 48.7 59 59 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 15,-0.3 0.905 114.5 46.8 -64.3 -41.0 -6.1 26.9 52.3 60 60 A V H X S+ 0 0 18 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.921 114.6 45.8 -66.5 -46.0 -3.8 23.9 51.4 61 61 A T H X S+ 0 0 71 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.958 117.3 42.7 -62.9 -51.4 -1.2 26.1 49.7 62 62 A D H < S+ 0 0 58 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.797 114.2 52.6 -66.0 -29.7 -1.1 28.8 52.4 63 63 A G H >X S+ 0 0 0 -4,-1.8 3,-1.4 -5,-0.3 4,-0.6 0.896 103.1 56.5 -72.3 -41.6 -1.1 26.1 55.1 64 64 A M H >< S+ 0 0 32 -4,-2.3 3,-0.7 1,-0.3 -2,-0.2 0.895 108.5 49.4 -54.8 -40.7 1.9 24.3 53.6 65 65 A A T 3< S+ 0 0 86 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.546 96.5 72.9 -77.0 -9.4 3.8 27.6 53.8 66 66 A S T <4 S- 0 0 28 -3,-1.4 4,-0.3 -4,-0.3 -1,-0.2 0.718 94.4-136.0 -80.2 -23.2 2.8 28.1 57.5 67 67 A G X<> - 0 0 25 -3,-0.7 5,-2.4 -4,-0.6 3,-1.0 0.065 26.4 -72.6 88.3 161.6 5.0 25.4 59.0 68 68 A L G > 5S+ 0 0 66 1,-0.2 3,-2.0 3,-0.2 -1,-0.1 0.839 124.1 67.4 -59.4 -36.3 4.7 22.7 61.6 69 69 A D G 3 5S+ 0 0 141 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.812 106.5 40.2 -55.4 -33.7 4.7 25.3 64.3 70 70 A K G X 5S- 0 0 112 -3,-1.0 3,-1.1 -4,-0.3 -1,-0.3 0.111 118.2-107.2-105.1 20.9 1.3 26.6 63.1 71 71 A D T < 5 - 0 0 43 -3,-2.0 -3,-0.2 1,-0.2 42,-0.2 0.765 66.6 -73.6 57.9 28.3 -0.2 23.2 62.4 72 72 A Y T 3 - 0 0 82 -2,-0.4 3,-1.8 -15,-0.3 -11,-0.1 -0.548 46.2-101.4 -66.8 120.9 -2.3 30.0 57.8 75 75 A P T 3 S- 0 0 82 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.157 100.5 -0.6 -47.0 129.2 -3.0 32.1 60.9 76 76 A D T 3 S+ 0 0 160 1,-0.2 2,-0.7 -3,-0.1 -2,-0.1 0.733 81.6 177.7 59.0 29.8 -6.5 33.5 60.9 77 77 A D X - 0 0 14 -3,-1.8 3,-1.5 1,-0.2 -1,-0.2 -0.512 17.3-160.0 -65.8 109.0 -7.4 32.0 57.5 78 78 A S T 3 S+ 0 0 115 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.690 85.0 68.8 -64.5 -20.9 -11.0 33.1 57.1 79 79 A R T 3 S+ 0 0 57 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.4 0.678 77.0 95.6 -72.5 -20.0 -11.6 30.4 54.5 80 80 A V < - 0 0 25 -3,-1.5 -29,-0.2 1,-0.2 3,-0.1 -0.662 51.7-177.0 -77.1 114.8 -11.3 27.8 57.2 81 81 A I - 0 0 35 -31,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.899 69.6 -15.6 -76.6 -43.9 -14.8 26.9 58.3 82 82 A A E +E 50 0C 7 -32,-0.9 -32,-2.8 15,-0.1 -1,-0.3 -0.978 66.8 180.0-158.9 154.0 -13.6 24.5 61.0 83 83 A H E -E 49 0C 92 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.988 20.1-143.8-160.6 150.0 -10.4 22.6 62.0 84 84 A T - 0 0 2 -36,-1.7 2,-0.1 -2,-0.3 11,-0.1 -0.506 44.4 -94.1-100.3 176.2 -8.9 20.2 64.4 85 85 A K - 0 0 91 -2,-0.2 2,-0.6 9,-0.1 -37,-0.3 -0.371 48.9 -88.2 -84.7 171.5 -5.2 20.6 65.5 86 86 A L - 0 0 2 -39,-0.1 2,-0.3 -18,-0.1 -39,-0.3 -0.749 54.5-169.5 -82.9 122.2 -2.5 18.6 63.6 87 87 A I B -H 46 0D 0 -41,-3.4 -41,-2.5 -2,-0.6 2,-0.2 -0.805 15.4-149.1-117.0 156.5 -2.0 15.3 65.3 88 88 A G > - 0 0 2 -2,-0.3 3,-1.8 1,-0.2 -53,-0.1 -0.484 52.3 -52.1-106.8-177.7 0.5 12.4 65.2 89 89 A S T 3 S+ 0 0 25 -50,-2.0 -1,-0.2 1,-0.2 -48,-0.1 -0.232 125.2 18.6 -57.8 142.9 -0.1 8.7 65.7 90 90 A G T 3 S+ 0 0 74 -55,-2.1 -1,-0.2 1,-0.3 2,-0.1 0.284 101.5 114.7 80.8 -10.7 -1.9 7.8 68.9 91 91 A E < - 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