==== 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 METALLOPROTEIN 12-OCT-95 1ILS . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.HAMMANN,H.NAR,R.HUBER,A.MESSERSCHMIDT . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 63.5 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 . 29 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 10.5 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,-1.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-162.5 -10.5 53.5 26.9 2 2 A E T 3 - 0 0 178 1,-0.3 3,-0.0 27,-0.0 27,-0.0 -0.350 360.0 -32.5 -58.2 111.6 -11.8 54.2 23.3 3 3 A a T 3 S+ 0 0 46 -2,-0.2 27,-2.3 26,-0.1 2,-0.3 0.666 128.6 79.1 49.1 26.7 -8.8 53.7 21.0 4 4 A S E < -a 30 0A 34 -3,-1.3 2,-0.3 25,-0.2 27,-0.2 -0.989 57.2-163.8-152.9 154.1 -6.4 54.9 23.6 5 5 A V E -a 31 0A 33 25,-2.3 27,-2.6 -2,-0.3 2,-0.5 -0.976 16.9-135.8-138.4 147.7 -4.8 53.4 26.7 6 6 A D E -a 32 0A 107 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.922 26.3-171.4-102.6 132.3 -3.0 55.1 29.6 7 7 A S E -a 33 0A 0 25,-3.0 27,-1.6 -2,-0.5 2,-0.4 -0.959 6.8-158.2-127.2 146.6 0.3 53.4 30.6 8 8 A Q E -a 34 0A 88 -2,-0.3 8,-1.9 25,-0.2 2,-0.5 -0.974 6.4-163.6-126.4 138.7 2.5 54.0 33.6 9 9 A G B -C 15 0B 0 25,-2.2 6,-0.2 -2,-0.4 2,-0.1 -0.998 23.5-165.2-119.3 121.6 6.2 53.2 34.1 10 10 A N > - 0 0 22 4,-2.0 3,-1.4 -2,-0.5 4,-0.4 -0.427 36.0 -90.2-106.5-179.7 7.2 53.3 37.8 11 11 A D T 3 S+ 0 0 19 1,-0.3 26,-0.1 25,-0.2 -1,-0.0 0.472 119.7 60.4 -69.3 -0.7 10.4 53.5 40.0 12 12 A Q T 3 S- 0 0 87 2,-0.2 -1,-0.3 361,-0.1 25,-0.0 0.040 117.7-106.0-110.6 22.3 10.6 49.7 40.2 13 13 A M S < S+ 0 0 2 -3,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.894 77.3 129.3 56.2 47.1 10.9 49.1 36.4 14 14 A Q - 0 0 14 -4,-0.4 -4,-2.0 107,-0.1 2,-0.4 -0.949 50.8-144.5-128.8 145.7 7.4 47.9 35.9 15 15 A F B -C 9 0B 13 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.866 25.1-126.9 -98.9 149.9 4.7 49.0 33.4 16 16 A N S S+ 0 0 55 -8,-1.9 2,-0.3 -2,-0.4 389,-0.1 0.678 92.3 36.8 -73.3 -20.8 1.2 48.8 34.8 17 17 A T - 0 0 39 -9,-0.3 -2,-0.1 1,-0.1 105,-0.1 -0.886 54.4-171.6-123.5 163.1 -0.1 46.7 31.9 18 18 A N S S+ 0 0 28 1,-0.3 106,-1.7 -2,-0.3 2,-0.3 0.343 73.6 48.1-132.2 9.1 1.6 43.9 29.9 19 19 A A E -d 124 0C 48 104,-0.2 2,-0.4 384,-0.1 -1,-0.3 -0.963 59.6-171.4-149.3 125.9 -0.9 43.3 27.1 20 20 A I E -d 125 0C 7 104,-2.7 106,-2.6 -2,-0.3 2,-0.7 -0.966 8.4-157.9-119.9 134.0 -2.6 45.9 24.9 21 21 A T E -d 126 0C 72 -2,-0.4 2,-0.4 104,-0.2 106,-0.2 -0.914 7.0-164.2-108.0 106.1 -5.4 45.0 22.5 22 22 A V E -d 127 0C 0 104,-3.0 106,-2.9 -2,-0.7 2,-0.4 -0.770 20.2-132.5 -83.4 141.7 -5.7 47.6 19.6 23 23 A D > - 0 0 66 -2,-0.4 3,-2.0 104,-0.2 76,-0.1 -0.823 6.3-129.7-100.8 141.5 -9.1 47.2 17.8 24 24 A K T 3 S+ 0 0 106 104,-3.0 -1,-0.1 -2,-0.4 75,-0.1 0.777 102.1 64.7 -57.2 -35.8 -9.5 47.1 14.1 25 25 A S T 3 S+ 0 0 83 2,-0.0 2,-0.3 -3,-0.0 -1,-0.3 0.615 82.7 98.8 -65.0 -10.1 -12.2 49.8 13.8 26 26 A a < - 0 0 10 -3,-2.0 3,-0.1 1,-0.2 73,-0.0 -0.603 56.4-166.4 -78.4 134.1 -9.7 52.3 15.1 27 27 A K S S+ 0 0 168 -2,-0.3 72,-2.7 1,-0.3 73,-0.5 0.809 82.3 13.7 -79.4 -33.7 -8.1 54.3 12.4 28 28 A Q E - B 0 98A 99 70,-0.3 2,-0.4 71,-0.2 -1,-0.3 -0.886 67.7-150.8-133.6 162.6 -5.6 55.4 15.1 29 29 A F E - B 0 97A 8 68,-2.1 68,-2.3 -2,-0.3 2,-0.4 -0.998 8.8-155.6-139.1 136.3 -4.6 54.4 18.5 30 30 A T E -aB 4 96A 30 -27,-2.3 -25,-2.3 -2,-0.4 2,-0.4 -0.949 5.0-167.9-115.1 137.3 -3.1 56.5 21.3 31 31 A V E -aB 5 95A 0 64,-2.5 64,-1.8 -2,-0.4 2,-0.6 -0.982 10.0-157.6-118.2 130.8 -0.9 55.4 24.3 32 32 A N E -aB 6 94A 34 -27,-2.6 -25,-3.0 -2,-0.4 2,-0.3 -0.945 12.1-161.7-114.6 106.6 -0.5 58.0 27.0 33 33 A L E +aB 7 93A 0 60,-2.8 60,-2.3 -2,-0.6 2,-0.3 -0.731 15.1 167.4 -90.3 141.7 2.6 57.3 29.1 34 34 A S E -aB 8 92A 31 -27,-1.6 -25,-2.2 -2,-0.3 58,-0.2 -0.945 26.6-135.0-142.1 168.3 3.3 58.7 32.6 35 35 A H - 0 0 6 56,-1.0 55,-2.6 -2,-0.3 56,-0.2 -0.840 12.6-163.3-136.1 98.0 5.9 58.0 35.3 36 36 A P + 0 0 46 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 -0.349 55.6 51.5 -59.9 148.8 4.8 57.7 38.9 37 37 A G S S- 0 0 41 -27,-0.1 -2,-0.1 1,-0.1 -27,-0.0 -0.763 85.1 -90.2 122.2-158.7 7.7 58.0 41.4 38 38 A N S S+ 0 0 143 -2,-0.3 -1,-0.1 2,-0.1 -28,-0.0 0.341 76.1 110.5-138.5 -4.4 10.6 60.4 42.2 39 39 A L - 0 0 17 5,-0.1 50,-2.1 1,-0.1 0, 0.0 -0.615 64.1-122.2 -83.0 143.1 13.6 59.2 40.3 40 40 A P >> - 0 0 64 0, 0.0 4,-2.5 0, 0.0 3,-1.0 -0.176 31.5 -93.9 -68.3 173.5 14.8 61.4 37.4 41 41 A K H 3> S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 46,-0.1 0.844 118.5 58.4 -60.8 -37.7 15.2 60.3 33.7 42 42 A N H 34 S+ 0 0 46 2,-0.2 -1,-0.2 1,-0.2 26,-0.0 0.693 116.6 33.2 -74.3 -12.3 18.9 59.3 33.9 43 43 A V H <4 S+ 0 0 3 -3,-1.0 -2,-0.2 259,-0.1 -1,-0.2 0.783 143.3 6.6-104.8 -45.1 18.3 56.7 36.7 44 44 A M H < S+ 0 0 1 -4,-2.5 -2,-0.2 2,-0.0 -3,-0.1 -0.262 81.6 158.5-137.3 47.7 14.8 55.4 35.8 45 45 A G < - 0 0 0 -4,-1.4 2,-0.3 41,-0.1 43,-0.2 -0.449 19.1-167.9 -70.7 146.5 13.9 57.0 32.4 46 46 A H B +H 87 0D 0 41,-2.1 41,-2.4 -37,-0.1 2,-0.3 -0.985 14.0 177.7-137.4 149.6 11.1 55.2 30.5 47 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.2 67,-0.2 -0.878 28.4-126.7-134.8 165.4 9.8 55.3 27.0 48 48 A W + 0 0 0 -2,-0.3 36,-2.0 37,-0.2 2,-0.4 -0.995 34.0 177.3-116.2 123.9 7.1 53.3 25.3 49 49 A V E -EF 83 111C 0 62,-1.9 62,-1.9 -2,-0.5 2,-0.4 -0.969 12.3-160.2-125.3 138.9 8.4 51.8 22.0 50 50 A L E +EF 82 110C 0 32,-2.5 31,-3.0 -2,-0.4 32,-0.8 -0.972 25.3 138.9-122.0 135.6 6.5 49.4 19.6 51 51 A S E - F 0 109C 0 58,-1.8 58,-2.1 -2,-0.4 2,-0.1 -0.890 59.6 -68.3-151.9-176.9 8.0 47.1 17.0 52 52 A T E >> - F 0 108C 13 27,-0.3 4,-1.5 56,-0.3 3,-0.7 -0.519 48.0-112.6 -74.5 161.4 7.3 43.6 15.8 53 53 A A T 34 S+ 0 0 5 54,-3.4 4,-0.4 1,-0.3 55,-0.2 0.882 121.1 55.7 -63.8 -28.9 8.2 40.9 18.3 54 54 A A T 34 S+ 0 0 34 53,-0.5 3,-0.3 1,-0.2 132,-0.3 0.889 108.4 43.2 -69.1 -37.3 10.9 39.9 15.9 55 55 A D T X> S+ 0 0 56 -3,-0.7 4,-2.1 1,-0.2 3,-0.6 0.648 86.4 92.9 -86.6 -16.4 12.6 43.4 15.7 56 56 A M H 3X S+ 0 0 28 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.887 80.3 56.7 -42.1 -48.9 12.6 44.3 19.4 57 57 A Q H 3> S+ 0 0 11 -4,-0.4 4,-2.6 -3,-0.3 -1,-0.2 0.893 110.6 41.7 -61.1 -38.9 16.1 42.8 20.1 58 58 A G H <> S+ 0 0 7 -3,-0.6 4,-2.9 -4,-0.3 5,-0.3 0.889 112.6 54.3 -73.8 -34.6 17.9 45.0 17.5 59 59 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 15,-0.3 0.948 111.8 46.2 -63.2 -44.7 15.8 48.0 18.5 60 60 A V H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.931 115.3 44.4 -60.8 -53.4 17.0 47.4 22.1 61 61 A T H X S+ 0 0 34 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.967 117.9 43.4 -60.4 -48.2 20.7 46.9 21.3 62 62 A D H X S+ 0 0 29 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.856 113.1 55.2 -66.0 -30.5 20.9 49.8 18.9 63 63 A G H >X S+ 0 0 0 -4,-2.1 3,-1.5 -5,-0.3 4,-0.7 0.948 105.2 49.4 -64.0 -52.5 18.9 51.9 21.4 64 64 A M H >< S+ 0 0 34 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.868 110.0 54.3 -58.3 -35.0 21.4 51.2 24.2 65 65 A A H 3< S+ 0 0 87 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.700 95.7 69.5 -75.7 -14.5 24.2 52.2 21.8 66 66 A S H << S- 0 0 27 -3,-1.5 4,-0.3 -4,-0.7 -1,-0.2 0.736 97.7-129.7 -76.2 -27.2 22.5 55.6 21.0 67 67 A G <<> - 0 0 18 -4,-0.7 5,-2.8 -3,-0.6 3,-0.4 -0.028 22.7 -77.6 95.8 161.5 23.0 57.3 24.3 68 68 A L T > 5S+ 0 0 44 1,-0.3 3,-1.9 3,-0.2 -1,-0.1 0.865 127.5 57.1 -64.3 -41.8 21.0 59.1 26.9 69 69 A D T 3 5S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.784 107.8 47.4 -66.3 -25.3 21.0 62.2 24.8 70 70 A K T > 5S- 0 0 105 -3,-0.4 3,-1.3 -4,-0.3 -1,-0.3 0.203 119.5-114.6 -96.0 17.7 19.5 60.3 21.9 71 71 A D T < 5 - 0 0 42 -3,-1.9 -3,-0.2 1,-0.3 42,-0.2 0.693 56.2 -75.7 55.1 28.6 16.9 58.8 24.5 72 72 A Y T 3 - 0 0 76 -2,-0.4 3,-0.9 -15,-0.3 -11,-0.1 -0.555 45.5-104.1 -67.0 125.9 18.6 55.0 17.4 75 75 A P T 3 S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.377 97.0 0.9 -59.0 133.6 17.2 58.0 15.5 76 76 A D T 3 S- 0 0 173 1,-0.2 2,-0.4 -2,-0.1 -2,-0.0 0.892 83.9-175.3 50.6 50.7 14.9 57.2 12.6 77 77 A D X - 0 0 14 -3,-0.9 3,-1.1 1,-0.1 -1,-0.2 -0.635 22.6-142.5 -73.9 128.9 15.1 53.5 13.3 78 78 A S T 3 S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.748 95.2 55.6 -66.9 -28.7 13.2 51.8 10.6 79 79 A R T 3 S+ 0 0 55 -24,-0.1 2,-0.6 -28,-0.0 -27,-0.3 0.568 80.5 96.5 -86.0 -7.3 11.8 49.1 12.9 80 80 A V < - 0 0 24 -3,-1.1 -29,-0.2 1,-0.2 3,-0.1 -0.735 48.2-174.0 -86.4 119.8 10.1 51.4 15.5 81 81 A I S S- 0 0 40 -31,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.884 70.7 -15.8 -79.6 -41.6 6.4 51.8 14.7 82 82 A A E +E 50 0C 8 -32,-0.8 -32,-2.5 15,-0.1 -1,-0.4 -0.965 66.5 173.2-159.1 149.0 5.7 54.4 17.4 83 83 A H E -E 49 0C 84 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.1 -0.972 22.4-139.0-155.1 149.9 7.5 55.6 20.5 84 84 A T - 0 0 1 -36,-2.0 2,-0.1 -2,-0.3 11,-0.1 -0.356 42.7 -94.1 -89.4-175.8 7.2 58.4 23.2 85 85 A K - 0 0 125 -2,-0.1 2,-0.4 9,-0.1 -37,-0.2 -0.442 50.5 -85.3 -88.3 174.7 10.3 60.2 24.4 86 86 A L - 0 0 2 -39,-0.1 2,-0.4 -18,-0.1 -39,-0.2 -0.699 54.4-168.4 -82.0 133.8 12.2 59.0 27.4 87 87 A I B -H 46 0D 2 -41,-2.4 -41,-2.1 -2,-0.4 2,-0.1 -0.964 15.1-151.3-128.7 143.5 10.6 60.5 30.6 88 88 A G > - 0 0 0 -2,-0.4 3,-1.6 -43,-0.2 -53,-0.2 -0.264 55.1 -52.6 -94.3-174.5 11.6 60.7 34.3 89 89 A S T 3 S+ 0 0 26 -50,-2.1 -1,-0.2 1,-0.3 -48,-0.1 -0.389 127.5 22.0 -70.6 143.9 9.1 60.9 37.1 90 90 A G T 3 S+ 0 0 77 -55,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.268 99.5 112.9 86.1 -13.2 6.4 63.6 36.9 91 91 A E < - 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