==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 24-FEB-01 1I53 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.J.DI BILIO,B.R.CRANE,W.A.WEHBI,C.N.KISER,M.M.ABU-OMAR, . 256 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12929.0 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 . 21 8.2 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 . 18 7.0 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 . 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 2 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 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 . 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 0 145 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.0 14.6 54.4 47.4 2 2 A Q - 0 0 128 1,-0.0 21,-0.5 3,-0.0 24,-0.2 -0.920 360.0-164.9-175.2 150.8 16.2 50.9 47.3 3 3 A a S S+ 0 0 56 -2,-0.3 27,-2.2 19,-0.1 2,-0.3 0.014 71.4 62.1-135.2 27.7 15.5 47.5 45.6 4 4 A S E -a 30 0A 42 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.962 54.1-162.6-149.3 161.4 17.7 45.3 47.7 5 5 A V E -a 31 0A 31 25,-1.9 27,-2.9 -2,-0.3 2,-0.5 -0.983 15.2-139.2-149.0 138.6 18.3 44.0 51.2 6 6 A D E -a 32 0A 107 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.875 25.9-174.5 -99.1 129.0 21.2 42.4 52.9 7 7 A I E -a 33 0A 3 25,-3.1 27,-1.8 -2,-0.5 2,-0.4 -0.964 10.0-158.1-128.2 143.7 20.3 39.6 55.3 8 8 A Q E -a 34 0A 42 -2,-0.4 8,-1.5 25,-0.2 2,-0.5 -0.955 3.7-164.1-122.2 141.4 22.4 37.5 57.7 9 9 A G B -C 15 0B 0 25,-2.2 28,-0.5 -2,-0.4 6,-0.2 -0.995 23.0-164.8-122.4 125.1 21.8 34.1 59.1 10 10 A N > - 0 0 28 4,-2.2 3,-1.1 -2,-0.5 4,-0.2 -0.320 37.1 -92.4-107.0-173.9 23.9 33.1 62.1 11 11 A D T 3 S+ 0 0 23 1,-0.3 34,-0.0 2,-0.1 -1,-0.0 0.545 118.1 64.8 -72.2 -11.7 25.0 30.2 64.3 12 12 A Q T 3 S- 0 0 108 2,-0.2 -1,-0.3 32,-0.0 3,-0.1 0.076 118.0-107.6 -98.3 20.7 22.1 30.9 66.7 13 13 A M S < S+ 0 0 34 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.895 77.9 129.4 55.6 45.8 19.5 30.0 64.0 14 14 A Q - 0 0 81 -4,-0.2 -4,-2.2 107,-0.1 2,-0.3 -0.965 52.8-144.6-131.9 145.5 18.5 33.7 63.6 15 15 A F B -C 9 0B 14 -2,-0.3 -6,-0.2 105,-0.2 107,-0.1 -0.710 29.8-123.3 -95.2 157.5 18.1 36.0 60.6 16 16 A N S S+ 0 0 37 -8,-1.5 2,-0.3 -2,-0.3 -7,-0.1 0.240 92.8 36.6 -89.8 17.7 19.1 39.6 61.4 17 17 A T - 0 0 50 -9,-0.2 -2,-0.1 1,-0.0 3,-0.1 -0.965 51.3-167.6-161.7 147.5 15.6 40.8 60.3 18 18 A N S S+ 0 0 103 -2,-0.3 106,-2.0 1,-0.2 2,-0.3 0.177 79.6 52.9-120.0 9.5 12.0 39.6 60.6 19 19 A A E -d 124 0C 58 104,-0.2 2,-0.4 90,-0.0 106,-0.2 -0.885 57.5-175.1-153.8 119.0 10.4 42.1 58.2 20 20 A I E -d 125 0C 8 104,-3.4 106,-2.5 -2,-0.3 2,-0.4 -0.931 10.0-157.7-114.8 135.2 11.4 43.1 54.6 21 21 A T E -d 126 0C 89 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.902 1.6-160.1-113.5 139.2 9.7 45.9 52.7 22 22 A V - 0 0 0 104,-2.5 2,-0.1 -2,-0.4 -19,-0.1 -0.980 20.4-127.1-122.5 118.3 9.7 46.1 48.9 23 23 A D > - 0 0 66 -2,-0.5 3,-1.6 -21,-0.5 105,-0.1 -0.425 12.5-136.6 -62.9 131.1 9.0 49.4 47.2 24 24 A K T 3 S+ 0 0 100 104,-0.5 -1,-0.2 1,-0.3 103,-0.0 0.723 103.9 66.1 -61.5 -20.8 6.2 49.1 44.6 25 25 A S T 3 S+ 0 0 108 2,-0.0 -1,-0.3 74,-0.0 2,-0.3 0.749 78.8 101.1 -70.7 -27.5 8.4 51.2 42.3 26 26 A a < - 0 0 7 -3,-1.6 3,-0.1 -24,-0.2 73,-0.1 -0.444 55.2-165.4 -65.3 123.4 10.9 48.3 42.1 27 27 A K S S+ 0 0 187 -2,-0.3 72,-1.7 1,-0.2 73,-0.5 0.845 82.2 12.7 -74.1 -34.0 10.7 46.3 38.9 28 28 A Q E S- B 0 98A 107 70,-0.2 2,-0.4 71,-0.1 70,-0.2 -0.953 70.9-147.8-139.1 157.6 12.9 43.7 40.6 29 29 A F E - B 0 97A 5 68,-2.4 68,-2.2 -2,-0.3 2,-0.4 -0.990 8.8-155.9-132.7 137.3 14.0 43.0 44.2 30 30 A T E -aB 4 96A 33 -27,-2.2 -25,-1.9 -2,-0.4 2,-0.5 -0.943 2.9-162.0-118.7 131.6 17.3 41.4 45.3 31 31 A V E -aB 5 95A 0 64,-2.9 64,-1.8 -2,-0.4 2,-0.7 -0.940 5.2-161.1-111.3 125.2 18.1 39.6 48.6 32 32 A N E -aB 6 94A 36 -27,-2.9 -25,-3.1 -2,-0.5 2,-0.3 -0.893 13.6-169.9-107.8 101.3 21.8 39.2 49.6 33 33 A L E +aB 7 93A 1 60,-2.4 60,-2.3 -2,-0.7 2,-0.3 -0.736 8.0 174.3 -93.9 140.8 22.1 36.4 52.1 34 34 A S E -aB 8 92A 28 -27,-1.8 -25,-2.2 -2,-0.3 58,-0.2 -0.944 26.2-139.6-140.5 159.3 25.3 35.7 54.0 35 35 A H + 0 0 4 56,-1.9 55,-2.7 -2,-0.3 56,-0.2 -0.855 16.8 177.5-124.4 93.3 26.3 33.4 56.9 36 36 A P + 0 0 39 0, 0.0 147,-0.1 0, 0.0 -26,-0.1 0.308 52.3 105.1 -78.4 12.0 28.7 35.1 59.4 37 37 A G S S- 0 0 3 -28,-0.5 53,-0.4 2,-0.1 -2,-0.1 -0.181 70.3-136.6 -84.3-179.3 28.7 32.0 61.5 38 38 A N S S+ 0 0 84 51,-0.1 -1,-0.1 2,-0.1 -28,-0.0 0.400 70.5 106.3-114.9 -4.9 31.5 29.4 62.0 39 39 A L S S- 0 0 67 5,-0.1 50,-2.1 1,-0.1 -2,-0.1 -0.521 73.0-108.2 -81.9 144.9 29.1 26.3 61.8 40 40 A P >> - 0 0 65 0, 0.0 4,-2.4 0, 0.0 3,-1.5 -0.248 25.8-111.0 -67.7 157.4 29.0 24.0 58.7 41 41 A K H 3> S+ 0 0 77 1,-0.3 4,-0.9 2,-0.2 46,-0.1 0.777 114.5 60.0 -60.1 -31.9 26.1 23.8 56.3 42 42 A N H 34 S+ 0 0 96 2,-0.2 -1,-0.3 1,-0.2 26,-0.1 0.615 117.6 28.4 -76.5 -11.5 25.1 20.4 57.4 43 43 A V H <4 S+ 0 0 75 -3,-1.5 -2,-0.2 71,-0.0 -1,-0.2 0.632 141.4 12.0-118.8 -24.6 24.4 21.5 61.0 44 44 A M H < S+ 0 0 27 -4,-2.4 -2,-0.2 2,-0.0 2,-0.2 -0.216 82.5 157.4-149.2 46.9 23.4 25.2 60.7 45 45 A G < - 0 0 0 -4,-0.9 2,-0.3 43,-0.1 43,-0.2 -0.493 19.9-163.2 -78.0 145.9 22.8 25.8 57.1 46 46 A H B +H 87 0D 1 41,-2.4 41,-3.5 -2,-0.2 2,-0.3 -0.972 15.3 172.5-133.2 147.3 20.6 28.6 55.9 47 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.3 67,-0.1 -0.870 30.3-125.7-138.7 166.3 18.8 29.6 52.8 48 48 A W + 0 0 0 -2,-0.3 36,-1.7 37,-0.2 2,-0.4 -0.986 33.2 178.8-119.9 116.5 16.3 32.4 52.1 49 49 A V E -EF 83 111C 0 62,-2.4 62,-1.7 -2,-0.5 2,-0.4 -0.964 12.0-157.2-124.3 137.1 13.0 31.2 50.6 50 50 A L E +EF 82 110C 0 32,-2.9 31,-2.5 -2,-0.4 32,-1.0 -0.947 27.9 132.1-118.8 136.6 9.9 33.2 49.7 51 51 A S E - F 0 109C 0 58,-1.9 58,-2.7 -2,-0.4 29,-0.1 -0.927 59.6 -70.2-162.0 174.6 6.3 32.0 49.4 52 52 A T E >> - F 0 108C 23 27,-0.4 4,-1.0 -2,-0.3 3,-0.6 -0.384 49.2-112.3 -70.7 157.0 2.8 33.0 50.4 53 53 A A T 34 S+ 0 0 39 54,-2.4 3,-0.5 1,-0.2 4,-0.5 0.876 119.0 54.9 -59.1 -35.4 2.2 32.6 54.2 54 54 A A T 34 S+ 0 0 88 53,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.768 108.9 47.2 -69.9 -27.6 -0.3 29.8 53.3 55 55 A D T <> S+ 0 0 57 -3,-0.6 4,-2.3 1,-0.1 -1,-0.2 0.594 88.2 89.2 -89.7 -12.6 2.3 27.9 51.3 56 56 A M H X S+ 0 0 22 -4,-1.0 4,-2.9 -3,-0.5 5,-0.2 0.914 84.3 49.9 -51.5 -57.3 5.1 28.1 53.9 57 57 A Q H > S+ 0 0 131 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.891 113.2 48.4 -51.2 -43.7 4.4 24.9 55.9 58 58 A G H > S+ 0 0 21 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.916 111.5 47.8 -64.6 -45.1 4.2 22.9 52.6 59 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 15,-0.3 0.920 115.3 47.1 -62.2 -42.1 7.5 24.3 51.3 60 60 A V H X S+ 0 0 17 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.930 114.4 45.3 -65.0 -48.2 9.2 23.6 54.6 61 61 A T H X S+ 0 0 71 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.937 117.8 42.0 -62.5 -50.7 7.8 20.1 55.0 62 62 A D H X S+ 0 0 54 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.846 112.0 58.2 -67.0 -30.7 8.6 19.0 51.4 63 63 A G H X S+ 0 0 0 -4,-1.9 4,-0.9 -5,-0.3 3,-0.4 0.947 104.9 48.4 -63.8 -47.5 11.9 20.8 51.7 64 64 A M H >< S+ 0 0 103 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.889 110.8 52.0 -60.1 -38.9 13.0 18.7 54.7 65 65 A A H 3< S+ 0 0 86 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.809 102.3 60.0 -67.1 -31.1 12.0 15.5 52.9 66 66 A S H 3< S- 0 0 29 -4,-1.6 4,-0.3 -3,-0.4 -1,-0.2 0.728 103.0-148.4 -70.0 -23.8 14.1 16.6 49.8 67 67 A G X<> - 0 0 16 -4,-0.9 5,-2.6 -3,-0.7 3,-1.3 0.070 27.0 -57.7 82.9 170.3 17.2 16.6 52.0 68 68 A L G > 5S+ 0 0 68 1,-0.3 3,-2.3 3,-0.2 -1,-0.2 0.853 125.2 63.9 -55.7 -42.4 20.5 18.4 52.2 69 69 A D G 3 5S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.737 106.7 44.3 -58.0 -25.2 21.6 17.4 48.7 70 70 A K G X 5S- 0 0 108 -3,-1.3 3,-1.0 -4,-0.3 -1,-0.3 0.107 120.9-107.2-105.8 19.3 18.6 19.5 47.4 71 71 A D T < 5 - 0 0 43 -3,-2.3 -3,-0.2 1,-0.2 42,-0.2 0.803 68.7 -69.6 57.6 31.5 19.4 22.4 49.7 72 72 A Y T 3 - 0 0 95 -2,-0.4 3,-0.9 -15,-0.3 -11,-0.1 -0.459 48.0 -99.9 -64.1 132.1 11.6 20.4 46.6 75 75 A P T 3 S- 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.342 98.7 -3.2 -58.3 133.8 12.8 20.7 43.0 76 76 A D T 3 S- 0 0 167 1,-0.2 2,-0.7 -3,-0.1 -2,-0.0 0.902 81.7-170.8 46.6 53.6 10.8 23.2 40.9 77 77 A D X - 0 0 9 -3,-0.9 3,-1.6 1,-0.2 -1,-0.2 -0.656 15.0-156.1 -76.4 111.6 8.4 24.0 43.7 78 78 A S T 3 S+ 0 0 119 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.654 91.5 63.1 -63.3 -16.4 5.7 26.1 42.1 79 79 A R T 3 S+ 0 0 50 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.4 0.674 83.6 91.6 -81.1 -21.5 4.9 27.6 45.5 80 80 A V < - 0 0 17 -3,-1.6 -29,-0.2 1,-0.2 3,-0.1 -0.697 49.5-179.0 -82.1 116.5 8.4 29.1 45.8 81 81 A I S S- 0 0 36 -31,-2.5 2,-0.3 -2,-0.7 -30,-0.2 0.835 73.1 -4.5 -81.0 -34.2 8.5 32.6 44.5 82 82 A A E -E 50 0C 7 -32,-1.0 -32,-2.9 15,-0.1 2,-0.3 -0.975 66.1-179.8-159.5 148.2 12.3 33.1 45.1 83 83 A Q E -E 49 0C 87 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.996 15.7-152.6-156.5 142.2 15.1 31.1 46.7 84 84 A T - 0 0 6 -36,-1.7 2,-0.1 -2,-0.3 11,-0.1 -0.571 40.7 -96.6-100.6 173.0 18.8 31.2 47.5 85 85 A K - 0 0 92 -2,-0.2 2,-0.5 9,-0.1 -37,-0.2 -0.377 48.0 -89.1 -82.5 169.7 20.9 28.1 47.8 86 86 A L - 0 0 1 -39,-0.1 2,-0.3 -18,-0.1 -39,-0.3 -0.710 53.8-167.7 -81.5 126.8 21.6 26.6 51.2 87 87 A I B -H 46 0D 0 -41,-3.5 -41,-2.4 -2,-0.5 2,-0.2 -0.850 12.8-163.3-120.6 157.1 24.8 28.2 52.7 88 88 A G > - 0 0 2 -2,-0.3 3,-2.3 1,-0.2 -53,-0.2 -0.610 52.5 -25.9-121.5-175.3 27.2 27.5 55.5 89 89 A S T 3 S+ 0 0 48 -50,-2.1 -1,-0.2 1,-0.3 -51,-0.1 0.038 127.8 3.0 -36.6 124.7 29.9 29.5 57.4 90 90 A G T 3 S+ 0 0 68 -55,-2.7 -1,-0.3 -53,-0.4 2,-0.2 0.399 102.6 122.3 77.2 -2.1 31.5 32.3 55.4 91 91 A E < - 0 0 64 -3,-2.3 -56,-1.9 -56,-0.2 2,-0.3 -0.492 38.9-168.2 -92.5 165.0 29.3 31.8 52.3 92 92 A K E +B 34 0A 136 -58,-0.2 2,-0.3 -2,-0.2 -58,-0.2 -0.958 6.8 177.7-146.0 157.5 27.0 34.1 50.5 93 93 A D E -B 33 0A 44 -60,-2.3 -60,-2.4 -2,-0.3 2,-0.3 -0.939 11.5-153.1-163.4 141.4 24.3 33.9 47.8 94 94 A S E -B 32 0A 61 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.869 6.1-170.3-119.4 153.2 22.0 36.4 46.1 95 95 A V E -B 31 0A 25 -64,-1.8 -64,-2.9 -2,-0.3 2,-0.4 -0.992 2.6-166.2-143.6 135.2 18.6 36.0 44.5 96 96 A T E +B 30 0A 69 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.965 12.0 178.3-120.8 139.8 16.6 38.5 42.4 97 97 A F E -B 29 0A 11 -68,-2.2 -68,-2.4 -2,-0.4 2,-0.4 -0.930 35.5 -95.3-138.9 161.4 13.0 38.2 41.5 98 98 A D E > -B 28 0A 68 -2,-0.3 3,-1.6 -70,-0.2 -70,-0.2 -0.670 22.4-145.4 -78.9 128.1 10.3 40.1 39.7 99 99 A V G > S+ 0 0 9 -72,-1.7 3,-1.5 -2,-0.4 -71,-0.1 0.673 94.6 76.5 -67.1 -13.9 8.2 42.3 42.0 100 100 A S G 3 S+ 0 0 103 -73,-0.5 -1,-0.3 1,-0.3 -72,-0.1 0.779 80.4 70.0 -67.1 -23.4 5.2 41.5 39.6 101 101 A K G < S+ 0 0 128 -3,-1.6 2,-0.5 -20,-0.1 -1,-0.3 0.631 88.2 77.2 -67.9 -15.5 5.1 38.1 41.3 102 102 A L < - 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