==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 03-MAR-99 1CC3 . COMPND 2 MOLECULE: PROTEIN (CUA AZURIN); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR H.ROBINSON,M.C.ANG,Y.-G.GAO,M.T.HAY,Y.LU,A.H.-J.WANG . 260 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 19.2 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 . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 9.2 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 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 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 96 0, 0.0 223,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -39.0 22.3 10.8 5.8 2 2 A E + 0 0 108 21,-0.0 21,-0.4 3,-0.0 24,-0.1 0.278 360.0 59.0-166.9 -30.2 22.9 11.5 9.4 3 3 A a S S+ 0 0 18 19,-0.1 27,-2.1 22,-0.1 2,-0.3 -0.051 100.6 54.9-104.4 36.4 19.7 11.8 11.4 4 4 A S E -a 30 0A 45 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.970 59.4-156.6-153.5 169.6 18.3 8.3 10.8 5 5 A V E -a 31 0A 34 25,-2.1 27,-2.9 -2,-0.3 2,-0.5 -0.966 14.2-136.0-154.0 140.2 19.4 4.7 11.1 6 6 A D E -a 32 0A 96 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.827 25.3-177.8 -97.0 125.6 18.3 1.5 9.4 7 7 A I E -a 33 0A 0 25,-2.6 27,-2.1 -2,-0.5 2,-0.4 -0.986 9.5-161.6-127.9 133.5 17.8 -1.5 11.6 8 8 A Q E -a 34 0A 67 -2,-0.4 8,-1.0 25,-0.2 2,-0.5 -0.932 5.7-165.4-109.9 136.0 16.8 -5.1 10.6 9 9 A G B -C 15 0B 0 25,-2.4 6,-0.2 -2,-0.4 37,-0.1 -0.986 26.0-170.3-111.8 114.9 15.3 -7.8 13.0 10 10 A N > - 0 0 29 4,-2.0 3,-1.1 -2,-0.5 27,-0.1 -0.133 40.4 -81.2-103.0-159.9 15.7 -11.2 11.1 11 11 A D T 3 S+ 0 0 22 1,-0.2 26,-0.1 2,-0.1 -1,-0.1 0.546 123.0 60.1 -77.0 -3.7 14.4 -14.8 11.6 12 12 A Q T 3 S- 0 0 111 2,-0.2 -1,-0.2 107,-0.0 3,-0.1 0.105 116.6-106.8-112.4 20.7 17.2 -15.4 14.1 13 13 A M S < S+ 0 0 27 -3,-1.1 2,-0.4 1,-0.2 109,-0.2 0.843 74.2 145.1 56.4 39.4 16.3 -12.8 16.6 14 14 A Q - 0 0 108 109,-0.1 -4,-2.0 -4,-0.1 2,-0.3 -0.921 40.1-157.6-105.9 130.5 19.2 -10.7 15.5 15 15 A F B -C 9 0B 29 -2,-0.4 -6,-0.2 -6,-0.2 109,-0.1 -0.800 22.6-131.8 -91.5 148.4 19.4 -6.9 15.3 16 16 A N S S+ 0 0 82 -8,-1.0 2,-0.3 -2,-0.3 -7,-0.1 0.433 88.1 29.7 -81.8 -6.1 22.0 -5.6 12.8 17 17 A T - 0 0 40 -9,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.992 53.5-166.2-148.0 148.7 23.5 -3.1 15.3 18 18 A N S S+ 0 0 114 -2,-0.3 108,-1.9 1,-0.2 2,-0.3 0.095 78.2 49.9-121.5 23.5 23.7 -3.0 19.0 19 19 A A E -d 126 0C 48 106,-0.3 2,-0.5 90,-0.0 108,-0.2 -0.844 59.8-171.2-162.9 123.4 24.6 0.6 19.3 20 20 A I E -d 127 0C 6 106,-2.9 108,-2.1 -2,-0.3 2,-0.6 -0.929 8.3-155.7-117.4 135.1 23.1 3.8 17.9 21 21 A T E -d 128 0C 91 -2,-0.5 2,-0.6 106,-0.2 108,-0.2 -0.907 3.8-159.4-109.6 125.3 24.5 7.2 18.0 22 22 A V E -d 129 0C 0 106,-3.3 108,-2.9 -2,-0.6 2,-0.5 -0.851 16.6-136.0-100.5 130.3 22.3 10.2 17.7 23 23 A D > - 0 0 70 -2,-0.6 3,-2.4 -21,-0.4 106,-0.1 -0.745 10.2-137.5 -82.0 126.1 24.0 13.4 16.6 24 24 A K T 3 S+ 0 0 117 -2,-0.5 -1,-0.1 1,-0.3 105,-0.0 0.616 98.9 71.8 -62.7 -14.3 22.8 16.4 18.7 25 25 A S T 3 S+ 0 0 93 2,-0.0 2,-0.5 74,-0.0 -1,-0.3 0.663 79.0 99.3 -76.3 -5.9 22.6 18.6 15.6 26 26 A a < - 0 0 4 -3,-2.4 73,-0.1 1,-0.2 3,-0.1 -0.675 55.7-168.1 -82.6 123.5 19.6 16.5 14.7 27 27 A K S S+ 0 0 123 -2,-0.5 72,-2.5 1,-0.2 73,-0.6 0.873 82.8 15.7 -72.1 -36.2 16.3 18.1 15.5 28 28 A Q E S- B 0 98A 40 70,-0.3 2,-0.4 71,-0.2 -1,-0.2 -0.971 71.0-152.7-136.4 151.0 14.6 14.8 14.8 29 29 A F E - B 0 97A 3 68,-2.6 68,-2.2 -2,-0.3 2,-0.4 -0.975 8.2-155.3-131.7 142.1 15.9 11.2 14.4 30 30 A T E -aB 4 96A 14 -27,-2.1 -25,-2.1 -2,-0.4 2,-0.5 -0.938 6.4-164.2-124.9 135.7 14.4 8.4 12.4 31 31 A V E -aB 5 95A 0 64,-2.5 64,-1.9 -2,-0.4 2,-0.8 -0.977 9.1-158.4-115.6 122.0 14.7 4.6 12.8 32 32 A N E -aB 6 94A 39 -27,-2.9 -25,-2.6 -2,-0.5 2,-0.4 -0.907 15.5-164.5-107.9 107.6 13.6 2.6 9.8 33 33 A L E +aB 7 93A 0 60,-3.4 60,-2.3 -2,-0.8 2,-0.3 -0.698 14.9 163.4 -89.4 135.8 12.8 -0.9 11.1 34 34 A S E -aB 8 92A 33 -27,-2.1 -25,-2.4 -2,-0.4 58,-0.2 -0.931 30.4-132.2-142.5 178.2 12.5 -3.9 8.9 35 35 A H - 0 0 5 56,-1.2 55,-1.6 -2,-0.3 56,-0.3 -0.815 16.1-160.5-136.5 92.9 12.4 -7.7 9.2 36 36 A P + 0 0 53 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.013 57.1 41.3 -58.4 167.3 14.5 -9.8 6.9 37 37 A G S S- 0 0 41 1,-0.2 53,-0.2 -27,-0.1 -2,-0.1 -0.447 91.7 -77.4 98.6-169.8 13.5 -13.4 6.5 38 38 A N S S+ 0 0 136 -2,-0.1 -1,-0.2 51,-0.1 -28,-0.0 0.493 78.7 110.7-119.9 -3.6 10.3 -15.3 6.3 39 39 A L - 0 0 66 -3,-0.3 50,-2.3 5,-0.1 51,-0.0 -0.630 58.8-129.7 -95.4 134.3 8.6 -15.6 9.6 40 40 A P >> - 0 0 57 0, 0.0 4,-2.8 0, 0.0 3,-0.6 -0.122 30.3 -96.6 -73.7 168.1 5.4 -13.7 10.4 41 41 A K H 3> S+ 0 0 96 1,-0.2 4,-0.7 2,-0.2 46,-0.1 0.684 116.7 58.1 -63.9 -22.7 4.8 -11.5 13.4 42 42 A N H 34 S+ 0 0 129 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.857 119.5 27.5 -78.3 -35.2 3.0 -14.1 15.6 43 43 A V H <4 S+ 0 0 81 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.1 0.794 144.2 10.4 -93.8 -28.5 5.9 -16.5 15.6 44 44 A M H < S+ 0 0 11 -4,-2.8 2,-0.3 2,-0.0 -2,-0.2 -0.383 83.1 161.4-149.4 59.9 8.9 -14.1 15.1 45 45 A G < - 0 0 1 -4,-0.7 2,-0.4 70,-0.3 43,-0.2 -0.643 13.3-173.1 -89.2 135.4 7.6 -10.6 15.5 46 46 A H B +H 87 0D 0 41,-2.5 41,-2.9 -2,-0.3 2,-0.3 -0.951 11.1 172.5-128.7 153.6 9.8 -7.6 16.3 47 47 A N - 0 0 0 -2,-0.4 2,-0.4 39,-0.2 67,-0.2 -0.835 30.0-120.0-135.6 179.2 9.4 -3.9 17.1 48 48 A W + 0 0 0 -2,-0.3 36,-2.3 37,-0.2 2,-0.4 -0.991 29.9 180.0-130.9 121.1 11.8 -1.3 18.2 49 49 A V E -EF 83 111C 0 62,-1.9 62,-1.8 -2,-0.4 2,-0.5 -0.963 10.8-156.7-130.9 136.4 11.4 0.5 21.5 50 50 A L E +EF 82 110C 0 32,-3.1 31,-2.2 -2,-0.4 32,-1.1 -0.960 26.5 139.6-121.2 130.7 13.5 3.2 23.1 51 51 A S E - F 0 109C 0 58,-2.3 58,-3.6 -2,-0.5 29,-0.1 -0.927 57.3 -78.5-150.6 169.4 13.8 4.1 26.8 52 52 A T E >> - F 0 108C 19 27,-0.5 4,-0.9 -2,-0.3 3,-0.6 -0.381 46.5-113.2 -65.3 157.5 16.5 5.1 29.2 53 53 A A G >4 S+ 0 0 23 54,-3.9 3,-0.6 1,-0.2 4,-0.4 0.876 120.1 54.5 -58.2 -37.7 18.6 2.1 30.3 54 54 A A G 34 S+ 0 0 71 53,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.724 107.6 48.3 -62.3 -32.3 17.0 2.7 33.7 55 55 A D G <> S+ 0 0 57 -3,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.588 89.0 85.5 -92.2 -5.6 13.4 2.5 32.5 56 56 A M H S+ 0 0 114 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.918 115.0 46.6 -59.5 -42.9 13.1 -3.2 33.1 58 58 A G H > S+ 0 0 23 -4,-0.4 4,-2.6 1,-0.2 5,-0.4 0.878 110.6 52.2 -63.1 -41.9 10.0 -1.3 34.2 59 59 A V H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 15,-0.4 0.887 113.1 46.1 -58.3 -37.3 8.8 -0.9 30.6 60 60 A V H X S+ 0 0 58 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.953 112.0 49.0 -72.7 -51.7 9.3 -4.7 30.1 61 61 A T H X S+ 0 0 92 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.942 117.8 39.0 -51.5 -53.7 7.5 -5.7 33.3 62 62 A D H X S+ 0 0 44 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.850 113.6 56.9 -67.0 -33.7 4.4 -3.5 32.8 63 63 A G H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.4 10,-0.2 0.906 103.0 54.4 -63.2 -41.8 4.5 -4.3 29.1 64 64 A M H < S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.901 105.8 51.7 -58.4 -43.9 4.3 -7.9 30.0 65 65 A A H < S+ 0 0 93 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.917 109.1 50.8 -56.9 -43.2 1.1 -7.2 32.1 66 66 A S H < S- 0 0 38 -4,-1.9 3,-0.3 1,-0.2 4,-0.3 0.745 102.7-176.8 -67.6 -31.2 -0.3 -5.4 29.0 67 67 A G ><> - 0 0 14 -4,-1.8 5,-2.9 1,-0.2 3,-1.3 0.008 36.4 -25.8 73.8-165.2 0.5 -8.5 27.0 68 68 A L G > 5S+ 0 0 109 1,-0.3 3,-2.1 3,-0.2 -1,-0.2 0.852 124.3 62.3 -59.2 -40.6 0.4 -9.7 23.5 69 69 A D G 3 5S+ 0 0 122 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.694 111.5 39.9 -63.9 -19.2 -2.5 -7.4 22.4 70 70 A K G X 5S- 0 0 91 -3,-1.3 3,-1.3 -4,-0.3 -1,-0.3 0.118 119.2-104.6-111.7 16.6 -0.3 -4.4 23.1 71 71 A D T < 5S- 0 0 42 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.819 72.7 -67.8 62.1 27.3 3.0 -5.7 21.8 72 72 A Y T 3 - 0 0 93 -15,-0.4 3,-2.1 -2,-0.4 -11,-0.1 -0.464 48.6-103.4 -57.8 125.9 1.9 -0.3 28.4 75 75 A P T 3 S- 0 0 83 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.350 100.6 -1.3 -55.6 126.6 -0.1 2.0 26.1 76 76 A D T 3 S- 0 0 162 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.630 85.8-170.7 64.3 18.5 1.3 5.5 26.1 77 77 A D X - 0 0 14 -3,-2.1 3,-1.9 1,-0.2 -1,-0.2 -0.198 20.3-143.0 -35.6 107.9 4.0 4.4 28.6 78 78 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.0 0.527 96.8 61.3 -60.0 -12.2 5.5 7.7 29.6 79 79 A R T 3 S+ 0 0 49 -24,-0.1 2,-0.9 -28,-0.0 -27,-0.5 0.490 79.4 93.1 -92.8 -13.3 9.0 5.9 29.8 80 80 A V < - 0 0 23 -3,-1.9 -29,-0.3 1,-0.2 3,-0.1 -0.719 54.9-171.0 -84.1 105.1 9.0 4.9 26.1 81 81 A I S S- 0 0 32 -31,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.944 71.6 -20.5 -63.5 -40.0 10.9 7.7 24.3 82 82 A A E -E 50 0C 7 -32,-1.1 -32,-3.1 -3,-0.1 2,-0.3 -0.990 65.2-178.9-157.7 160.9 9.9 6.2 21.0 83 83 A H E -E 49 0C 92 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.988 17.8-132.6-158.8 154.4 8.7 2.9 19.5 84 84 A T - 0 0 1 -36,-2.3 2,-0.1 -2,-0.3 11,-0.1 -0.519 35.0 -97.3 -93.6 170.0 7.8 1.3 16.2 85 85 A K - 0 0 140 -2,-0.2 2,-0.3 9,-0.1 -37,-0.2 -0.447 51.8 -87.5 -70.8 169.1 4.8 -0.9 15.4 86 86 A L - 0 0 17 -39,-0.1 2,-0.3 -2,-0.1 -39,-0.2 -0.581 50.6-172.4 -73.9 136.0 5.2 -4.7 15.5 87 87 A I B -H 46 0D 5 -41,-2.9 -41,-2.5 -2,-0.3 2,-0.2 -0.946 14.3-165.0-130.1 154.0 6.4 -6.2 12.2 88 88 A G > - 0 0 0 -2,-0.3 3,-1.5 1,-0.3 -53,-0.2 -0.523 56.1 -41.1-116.2-168.8 6.9 -9.7 10.8 89 89 A S T 3 S+ 0 0 28 -50,-2.3 -1,-0.3 1,-0.2 -48,-0.1 -0.126 127.9 17.9 -59.3 149.6 8.8 -10.7 7.7 90 90 A G T 3 S+ 0 0 74 -55,-1.6 -1,-0.2 1,-0.2 2,-0.2 0.564 104.0 114.6 70.5 7.3 8.5 -8.5 4.7 91 91 A E < - 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