==== 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 1JZI . 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) . 12558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 66.8 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 . 50 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 . 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 . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.7 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 . 4 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 0 122 0, 0.0 2,-0.5 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -4.3 -2.7 -3.3 0.8 2 2 A E - 0 0 133 1,-0.1 21,-0.4 2,-0.1 24,-0.1 -0.912 360.0-163.6-105.8 126.4 -1.0 -1.5 3.7 3 3 A a + 0 0 50 -2,-0.5 27,-1.9 19,-0.1 2,-0.3 -0.068 67.4 53.8-101.5 35.5 -0.3 -3.7 6.8 4 4 A S E -a 30 0A 38 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.979 58.0-159.9-159.6 159.6 0.3 -0.9 9.2 5 5 A V E -a 31 0A 28 25,-1.8 27,-2.7 -2,-0.3 2,-0.6 -0.990 15.3-138.4-148.9 137.9 -1.3 2.3 10.6 6 6 A D E -a 32 0A 113 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.906 28.4-177.2 -98.3 122.5 0.1 5.3 12.4 7 7 A I E -a 33 0A 0 25,-2.4 27,-1.8 -2,-0.6 2,-0.3 -0.947 11.3-153.7-124.8 143.7 -2.1 6.5 15.2 8 8 A Q E -a 34 0A 85 -2,-0.4 8,-1.3 25,-0.2 2,-0.5 -0.899 5.7-164.4-117.4 145.3 -1.8 9.4 17.6 9 9 A G B -C 15 0B 0 25,-2.1 28,-0.6 -2,-0.3 6,-0.2 -0.988 24.7-174.5-126.8 117.2 -3.1 9.9 21.1 10 10 A N > - 0 0 49 4,-2.0 3,-1.4 -2,-0.5 4,-0.3 -0.323 42.2 -88.7-107.6-172.1 -3.0 13.6 22.3 11 11 A D T 3 S+ 0 0 37 1,-0.3 24,-0.0 2,-0.1 -1,-0.0 0.525 116.5 70.3 -73.4 -7.8 -3.7 15.9 25.3 12 12 A Q T 3 S- 0 0 116 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.335 114.7-113.2 -89.7 6.6 -7.3 16.1 24.3 13 13 A M S < S+ 0 0 13 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.927 78.3 127.1 59.8 45.9 -7.8 12.5 25.4 14 14 A Q - 0 0 80 -4,-0.3 -4,-2.0 107,-0.1 -1,-0.2 -0.991 56.2-141.7-137.2 142.4 -8.4 11.7 21.7 15 15 A F B -C 9 0B 13 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.633 23.3-130.3 -91.3 158.6 -7.1 9.2 19.1 16 16 A N S S+ 0 0 84 -8,-1.3 2,-0.3 -2,-0.2 -7,-0.1 0.195 88.6 56.8 -98.3 21.0 -6.7 10.6 15.6 17 17 A T - 0 0 32 -9,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.992 49.7-176.5-149.1 139.3 -8.6 7.6 14.1 18 18 A N S S+ 0 0 116 -2,-0.3 106,-2.5 1,-0.3 2,-0.3 0.541 76.2 33.0-110.0 -15.1 -12.0 6.1 14.7 19 19 A A E -d 124 0C 55 104,-0.3 2,-0.4 90,-0.1 -1,-0.3 -0.998 55.8-172.4-149.0 140.4 -11.8 3.1 12.4 20 20 A I E -d 125 0C 10 104,-2.4 106,-1.5 -2,-0.3 2,-0.5 -0.998 8.0-160.5-132.9 132.5 -9.1 0.7 11.2 21 21 A T E -d 126 0C 72 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.973 8.9-151.3-116.4 121.3 -9.5 -2.0 8.5 22 22 A V E -d 127 0C 0 104,-2.8 106,-2.5 -2,-0.5 2,-0.2 -0.856 19.4-131.1 -93.3 120.0 -7.0 -4.8 8.4 23 23 A D > - 0 0 49 -2,-0.6 3,-1.8 -21,-0.4 76,-0.1 -0.528 8.6-133.3 -71.3 135.6 -6.6 -6.2 4.8 24 24 A K T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.2 75,-0.0 0.763 102.7 69.5 -58.2 -32.1 -6.8 -10.0 4.5 25 25 A S T 3 S+ 0 0 107 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.687 82.5 95.5 -61.0 -18.3 -3.7 -10.1 2.4 26 26 A a < - 0 0 5 -3,-1.8 3,-0.1 1,-0.2 -24,-0.0 -0.623 52.1-174.4 -79.8 127.1 -1.8 -9.1 5.5 27 27 A K S S+ 0 0 180 -2,-0.4 72,-2.0 1,-0.2 73,-0.6 0.756 80.9 19.2 -86.1 -28.5 -0.3 -12.0 7.5 28 28 A Q E S- B 0 98A 97 70,-0.3 2,-0.4 71,-0.2 -1,-0.2 -0.949 71.0-151.7-138.5 156.3 0.7 -9.5 10.2 29 29 A F E - B 0 97A 5 68,-2.3 68,-2.4 -2,-0.3 2,-0.4 -0.993 6.1-153.8-134.7 140.5 -0.4 -6.0 11.2 30 30 A T E -aB 4 96A 31 -27,-1.9 -25,-1.8 -2,-0.4 2,-0.5 -0.938 3.1-162.6-120.7 133.2 1.5 -3.1 12.8 31 31 A V E -aB 5 95A 0 64,-2.8 64,-2.2 -2,-0.4 2,-0.8 -0.964 5.2-163.8-113.3 120.1 0.2 -0.3 14.9 32 32 A N E -aB 6 94A 48 -27,-2.7 -25,-2.4 -2,-0.5 2,-0.3 -0.880 13.5-170.0-105.8 98.1 2.6 2.6 15.4 33 33 A L E +aB 7 93A 2 60,-2.6 60,-2.6 -2,-0.8 2,-0.3 -0.710 7.2 176.5 -92.0 140.5 1.3 4.7 18.3 34 34 A S E -aB 8 92A 40 -27,-1.8 -25,-2.1 -2,-0.3 58,-0.2 -0.961 25.3-140.1-139.9 156.3 2.7 8.1 19.2 35 35 A H + 0 0 3 56,-2.4 55,-2.2 -2,-0.3 -25,-0.2 -0.880 17.0 177.2-121.9 95.7 1.9 10.8 21.7 36 36 A P + 0 0 75 0, 0.0 -26,-0.2 0, 0.0 -1,-0.1 0.442 54.0 100.7 -76.8 1.2 2.2 14.4 20.3 37 37 A G - 0 0 11 -28,-0.6 53,-0.6 7,-0.1 -2,-0.1 -0.091 67.2-141.5 -79.4-176.7 1.0 15.9 23.5 38 38 A N + 0 0 142 51,-0.2 -1,-0.1 2,-0.1 -28,-0.0 0.362 61.7 112.0-126.7 -0.5 3.0 17.5 26.4 39 39 A L S S- 0 0 41 1,-0.1 50,-1.3 5,-0.1 5,-0.1 -0.537 75.2 -95.2 -81.0 142.8 1.1 16.2 29.4 40 40 A P >> - 0 0 62 0, 0.0 4,-2.4 0, 0.0 3,-1.7 -0.132 29.1-117.0 -55.1 146.8 2.8 13.8 31.9 41 41 A K H 3> S+ 0 0 78 1,-0.3 4,-1.0 2,-0.2 -2,-0.1 0.803 113.1 61.0 -55.4 -32.5 2.1 10.0 31.5 42 42 A N H 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.2 26,-0.0 0.670 116.7 28.8 -71.4 -20.7 0.5 10.0 34.9 43 43 A V H <4 S+ 0 0 16 -3,-1.7 -2,-0.2 202,-0.0 -1,-0.2 0.607 139.0 19.0-111.9 -21.5 -2.3 12.4 33.9 44 44 A M H < S+ 0 0 4 -4,-2.4 -2,-0.2 -5,-0.1 2,-0.2 -0.137 78.9 154.8-144.0 43.9 -2.5 11.7 30.1 45 45 A G < - 0 0 0 -4,-1.0 2,-0.4 43,-0.1 43,-0.2 -0.491 21.9-163.8 -75.4 144.5 -1.0 8.3 29.4 46 46 A H B +H 87 0D 1 41,-2.6 41,-3.2 -2,-0.2 2,-0.3 -0.974 15.5 171.5-134.5 146.7 -2.2 6.4 26.4 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.2 39,-0.1 -0.886 29.5-126.6-141.4 165.4 -2.0 2.9 25.1 48 48 A W + 0 0 0 -2,-0.3 36,-2.2 37,-0.3 2,-0.4 -0.990 32.0 178.2-119.1 114.9 -3.6 1.0 22.1 49 49 A V E -EF 83 111C 0 62,-2.1 62,-2.0 -2,-0.5 2,-0.4 -0.980 11.1-157.3-122.4 136.2 -5.4 -2.1 23.2 50 50 A L E +EF 82 110C 0 32,-2.7 31,-2.9 -2,-0.4 32,-1.0 -0.916 26.4 135.8-118.2 137.9 -7.3 -4.5 20.9 51 51 A S E - F 0 109C 0 58,-1.9 58,-3.0 -2,-0.4 29,-0.1 -0.935 58.6 -70.4-160.2 174.8 -10.1 -6.9 21.8 52 52 A T E > - F 0 108C 21 27,-0.4 4,-1.2 -2,-0.3 3,-0.4 -0.407 48.0-113.9 -70.1 157.4 -13.4 -8.0 20.4 53 53 A A T 4 S+ 0 0 34 54,-3.1 4,-0.5 1,-0.2 3,-0.4 0.884 118.9 56.9 -60.4 -33.5 -16.2 -5.4 20.8 54 54 A A T 4 S+ 0 0 90 53,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.859 109.3 44.1 -64.6 -36.2 -17.8 -7.8 23.3 55 55 A D T > S+ 0 0 58 -3,-0.4 4,-2.3 1,-0.2 5,-0.2 0.601 86.5 92.4 -87.6 -11.3 -14.7 -8.0 25.5 56 56 A M H X S+ 0 0 35 -4,-1.2 4,-2.7 -3,-0.4 5,-0.2 0.898 84.7 50.0 -49.3 -53.3 -13.9 -4.2 25.6 57 57 A Q H > S+ 0 0 131 -4,-0.5 4,-2.6 -3,-0.2 -1,-0.2 0.907 112.3 46.9 -54.3 -49.2 -15.9 -3.4 28.7 58 58 A G H > S+ 0 0 20 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.910 112.7 49.5 -61.4 -42.8 -14.4 -6.2 30.7 59 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 15,-0.3 0.899 112.6 47.9 -63.5 -41.6 -10.8 -5.4 29.6 60 60 A V H X S+ 0 0 20 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.915 113.7 47.0 -65.5 -44.3 -11.3 -1.7 30.5 61 61 A T H X S+ 0 0 64 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.953 116.6 41.4 -64.3 -51.6 -12.8 -2.5 33.9 62 62 A D H X S+ 0 0 54 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.708 111.9 61.4 -70.5 -17.9 -10.1 -5.0 34.9 63 63 A G H >< S+ 0 0 0 -4,-1.1 3,-1.0 -5,-0.3 4,-0.3 0.952 105.3 41.3 -72.8 -51.8 -7.5 -2.7 33.4 64 64 A M H >< S+ 0 0 48 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.833 110.5 60.8 -65.3 -29.9 -8.1 0.3 35.6 65 65 A A H 3< S+ 0 0 82 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.715 97.5 59.8 -68.3 -21.7 -8.4 -2.1 38.6 66 66 A S T << S- 0 0 23 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.518 102.3-145.6 -84.4 -7.8 -4.8 -3.2 37.8 67 67 A G X > - 0 0 19 -3,-1.4 5,-1.8 -4,-0.3 3,-1.5 0.207 33.6 -61.4 67.5 171.7 -3.4 0.3 38.3 68 68 A L G > 5S+ 0 0 74 1,-0.3 3,-2.0 3,-0.2 -1,-0.2 0.762 124.5 74.8 -61.7 -27.0 -0.6 2.2 36.7 69 69 A D G 3 5S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.424 104.0 39.3 -67.7 0.8 1.9 -0.4 38.0 70 70 A K G X 5S- 0 0 102 -3,-1.5 3,-1.6 -7,-0.1 -1,-0.3 0.072 118.1-105.4-135.6 21.8 0.5 -2.6 35.2 71 71 A D T < 5S- 0 0 51 -3,-2.0 -3,-0.2 1,-0.3 42,-0.2 0.789 73.0 -71.3 55.1 25.5 0.1 -0.1 32.4 72 72 A Y T 3 - 0 0 78 -2,-0.4 3,-1.4 -15,-0.3 -11,-0.1 -0.489 39.7-108.8 -69.0 126.9 -4.8 -7.0 33.7 75 75 A P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.311 98.8 6.5 -58.1 136.3 -1.9 -9.4 33.5 76 76 A D T 3 S+ 0 0 157 1,-0.2 2,-1.2 2,-0.1 -2,-0.1 0.775 80.0 169.6 60.9 32.0 -2.7 -12.5 31.4 77 77 A D X - 0 0 13 -3,-1.4 3,-1.8 1,-0.2 -1,-0.2 -0.643 20.5-162.3 -76.7 100.5 -6.0 -11.0 30.2 78 78 A S T 3 S+ 0 0 111 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.686 83.2 69.9 -56.6 -22.2 -6.8 -13.6 27.5 79 79 A R T 3 S+ 0 0 64 -24,-0.1 -27,-0.4 -28,-0.1 2,-0.4 0.729 78.4 92.1 -70.1 -23.6 -9.4 -11.1 26.1 80 80 A V < - 0 0 28 -3,-1.8 -29,-0.2 1,-0.2 3,-0.1 -0.612 52.6-176.3 -76.3 124.5 -6.6 -8.8 24.9 81 81 A I - 0 0 38 -31,-2.9 2,-0.3 1,-0.4 -1,-0.2 0.848 67.9 -21.8 -86.2 -43.0 -5.6 -9.6 21.3 82 82 A A E -E 50 0C 8 -32,-1.0 -32,-2.7 15,-0.1 -1,-0.4 -0.973 63.4-177.8-161.4 162.6 -2.7 -7.2 21.1 83 83 A H E -E 49 0C 86 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.981 20.9-133.2-166.0 154.6 -1.5 -4.0 22.8 84 84 A T - 0 0 1 -36,-2.2 -36,-0.1 -2,-0.3 11,-0.1 -0.604 44.5 -92.7-101.9 168.6 1.1 -1.3 22.8 85 85 A K - 0 0 95 -2,-0.2 2,-0.6 -38,-0.1 -37,-0.3 -0.278 48.5 -90.7 -75.9 170.4 2.8 -0.1 26.1 86 86 A L - 0 0 1 -39,-0.1 2,-0.3 -18,-0.1 -39,-0.2 -0.756 53.9-168.6 -82.5 121.1 1.4 2.8 28.0 87 87 A I B -H 46 0D 0 -41,-3.2 -41,-2.6 -2,-0.6 2,-0.2 -0.848 11.1-153.0-116.9 153.4 3.2 5.9 26.7 88 88 A G > - 0 0 4 -2,-0.3 3,-2.2 1,-0.2 -53,-0.2 -0.489 50.2 -37.5-109.7-175.7 3.4 9.5 27.9 89 89 A S T 3 S+ 0 0 39 -50,-1.3 -1,-0.2 1,-0.3 -51,-0.2 -0.041 126.3 7.1 -45.9 133.0 4.0 12.9 26.1 90 90 A G T 3 S+ 0 0 68 -55,-2.2 -1,-0.3 -53,-0.6 2,-0.1 0.288 103.9 118.6 76.4 -7.9 6.5 12.8 23.3 91 91 A E < - 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