==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 28-JAN-98 1A4C . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER DENITRIFICANS; . AUTHOR A.MESSERSCHMIDT,L.PRADE . 516 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 19.6 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 . 3 0.6 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 . 2 0.4 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 . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 10.7 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 5 0 0 0 0 1 1 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 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 PARALLEL BRIDGES PER LADDER . 9 6 0 4 2 0 3 1 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 1 3 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 0 110 0, 0.0 2,-2.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -97.0 -5.2 29.7 1.5 2 2 A Q + 0 0 141 1,-0.2 21,-0.4 2,-0.2 2,-0.3 -0.391 360.0 35.1 52.2 -69.2 -5.5 33.6 1.8 3 3 A a S S+ 0 0 27 -2,-2.1 27,-1.2 19,-0.1 2,-0.3 -0.291 116.2 72.8-102.2 51.6 -4.7 33.6 5.5 4 4 A E E -a 30 0A 86 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.978 54.6-176.8-158.1 148.1 -2.2 30.7 5.2 5 5 A A E -a 31 0A 23 25,-2.4 27,-2.6 -2,-0.3 2,-0.4 -0.989 16.4-145.7-153.1 145.9 1.2 30.1 3.7 6 6 A T E -a 32 0A 68 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.956 17.9-177.0-110.6 132.4 3.6 27.3 3.2 7 7 A I E -a 33 0A 0 25,-2.5 27,-1.9 -2,-0.4 2,-0.4 -0.957 14.0-143.8-128.9 144.7 7.4 27.9 3.5 8 8 A E E -a 34 0A 61 -2,-0.4 8,-2.0 25,-0.2 9,-0.3 -0.895 14.3-172.8-118.6 146.2 10.0 25.2 2.8 9 9 A S E +a 35 0A 1 25,-2.4 27,-2.8 -2,-0.4 28,-0.3 -0.834 11.5 174.0-122.8 158.1 13.3 24.3 4.3 10 10 A N - 0 0 68 2,-0.6 27,-0.2 4,-0.4 -1,-0.0 -0.317 57.7 -53.1-142.3-137.5 15.7 21.6 2.9 11 11 A D S S+ 0 0 53 -2,-0.1 2,-0.2 25,-0.1 34,-0.1 0.218 115.3 68.8 -97.3 19.8 19.3 20.5 3.8 12 12 A A S S- 0 0 41 2,-0.2 -2,-0.6 32,-0.1 2,-0.4 -0.691 95.7 -98.6-121.7 178.0 20.7 24.0 3.5 13 13 A M S S+ 0 0 66 -2,-0.2 2,-0.4 -4,-0.1 109,-0.2 -0.208 86.0 84.1 -99.8 47.4 20.2 27.1 5.6 14 14 A Q - 0 0 119 -2,-0.4 -4,-0.4 107,-0.2 -2,-0.2 -1.000 65.3-134.0-145.1 143.7 17.6 29.0 3.7 15 15 A Y - 0 0 5 107,-0.4 -6,-0.2 -2,-0.4 107,-0.1 -0.587 28.8-122.1 -81.2 159.0 13.9 29.1 3.5 16 16 A D S S+ 0 0 68 -8,-2.0 2,-0.5 -2,-0.2 -1,-0.1 0.757 102.6 56.9 -70.7 -25.2 12.5 29.2 -0.0 17 17 A L + 0 0 58 -9,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.926 57.1 178.3-109.2 130.5 10.6 32.4 0.9 18 18 A K S S+ 0 0 120 -2,-0.5 106,-2.0 1,-0.2 2,-0.3 0.437 75.2 36.1-106.3 -4.3 12.7 35.3 2.2 19 19 A E E -c 124 0B 118 104,-0.2 2,-0.3 2,-0.0 106,-0.2 -0.976 65.8-174.0-143.4 148.6 9.7 37.6 2.6 20 20 A M E -c 125 0B 13 104,-2.1 106,-2.0 -2,-0.3 2,-0.4 -0.994 9.1-154.5-147.2 146.8 6.1 37.0 3.6 21 21 A V E -c 126 0B 73 -2,-0.3 2,-0.5 104,-0.2 106,-0.2 -0.968 4.2-155.1-123.3 133.6 2.9 39.1 3.7 22 22 A V E -c 127 0B 0 104,-2.5 106,-2.6 -2,-0.4 2,-0.3 -0.922 30.3-119.0 -99.4 129.1 -0.1 38.6 5.9 23 23 A D > - 0 0 62 -2,-0.5 3,-2.5 -21,-0.4 104,-0.1 -0.557 17.7-126.3 -73.6 136.4 -3.2 40.1 4.4 24 24 A K T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.3 103,-0.0 0.692 106.9 58.6 -54.6 -25.7 -4.7 42.8 6.7 25 25 A S T 3 S+ 0 0 70 2,-0.0 2,-0.4 3,-0.0 -1,-0.3 0.402 80.2 109.6 -86.2 2.7 -8.1 41.1 6.7 26 26 A a < - 0 0 5 -3,-2.5 3,-0.1 1,-0.2 -24,-0.0 -0.641 47.7-171.8 -78.5 129.5 -6.7 38.0 8.2 27 27 A K S S+ 0 0 161 -2,-0.4 72,-2.2 1,-0.3 73,-0.5 0.786 80.9 13.0 -84.0 -32.0 -7.8 37.5 11.7 28 28 A Q E S- B 0 98A 121 70,-0.2 2,-0.3 71,-0.2 -1,-0.3 -0.935 71.3-153.9-137.1 155.8 -5.4 34.6 12.0 29 29 A F E - B 0 97A 5 68,-1.8 68,-2.4 -2,-0.3 2,-0.5 -0.976 5.8-153.8-132.6 142.3 -2.6 33.4 9.8 30 30 A T E -aB 4 96A 19 -27,-1.2 -25,-2.4 -2,-0.3 2,-0.4 -0.982 3.1-163.7-119.7 131.8 -1.2 29.8 9.4 31 31 A V E -aB 5 95A 0 64,-2.4 64,-1.6 -2,-0.5 2,-0.5 -0.941 4.5-160.5-110.8 130.5 2.3 29.0 8.4 32 32 A H E -aB 6 94A 45 -27,-2.6 -25,-2.5 -2,-0.4 2,-0.5 -0.983 8.2-159.0-110.7 121.1 3.0 25.4 7.2 33 33 A L E -aB 7 93A 0 60,-3.1 60,-2.0 -2,-0.5 2,-0.4 -0.922 8.3-171.7-104.4 128.6 6.7 24.6 7.4 34 34 A K E -aB 8 92A 87 -27,-1.9 -25,-2.4 -2,-0.5 2,-0.9 -0.967 16.4-149.7-117.5 134.3 7.8 21.6 5.2 35 35 A H E +a 9 0A 3 56,-2.6 55,-2.3 -2,-0.4 56,-0.4 -0.862 20.7 175.9-104.0 102.9 11.3 20.2 5.4 36 36 A V + 0 0 76 -27,-2.8 -26,-0.2 -2,-0.9 2,-0.2 0.355 48.1 87.3 -91.3 5.4 11.9 18.9 1.9 37 37 A G S S- 0 0 14 -28,-0.3 53,-0.4 -27,-0.2 -28,-0.1 -0.563 80.2-118.6 -93.7 174.0 15.5 17.8 2.2 38 38 A K S S+ 0 0 112 -2,-0.2 262,-3.2 51,-0.2 265,-0.2 0.426 71.0 108.8 -95.1 -3.8 16.6 14.3 3.4 39 39 A M B -G 299 0C 50 260,-0.3 50,-2.7 5,-0.1 260,-0.3 -0.526 68.2-116.7 -79.9 145.8 18.7 14.9 6.5 40 40 A A >> - 0 0 6 258,-2.8 4,-2.8 48,-0.2 3,-1.6 -0.370 30.4-106.5 -71.1 155.7 17.4 14.0 10.0 41 41 A K H 3> S+ 0 0 48 1,-0.3 4,-1.6 2,-0.2 309,-0.1 0.807 118.2 64.0 -62.3 -28.7 16.8 16.8 12.6 42 42 A S H 34 S+ 0 0 67 307,-0.3 -1,-0.3 2,-0.2 308,-0.1 0.825 117.9 30.0 -60.7 -27.0 20.0 15.9 14.6 43 43 A A H <4 S+ 0 0 37 -3,-1.6 -2,-0.2 255,-0.3 -1,-0.2 0.863 145.4 0.5 -97.7 -43.8 21.9 16.9 11.4 44 44 A M H < S+ 0 0 28 -4,-2.8 -3,-0.2 254,-0.2 -2,-0.2 -0.327 77.2 161.3-146.4 55.8 19.7 19.6 9.8 45 45 A G < - 0 0 0 -4,-1.6 2,-0.3 -5,-0.1 43,-0.2 -0.450 15.3-171.6 -75.8 155.1 16.6 20.3 11.8 46 46 A H B +H 87 0D 0 41,-1.8 41,-2.5 -2,-0.1 2,-0.2 -0.973 13.7 176.0-146.7 156.5 14.7 23.6 11.2 47 47 A N - 0 0 0 -2,-0.3 2,-0.4 39,-0.2 39,-0.1 -0.764 28.4-122.1-143.1-177.0 11.8 25.6 12.7 48 48 A W - 0 0 0 -2,-0.2 36,-2.4 37,-0.2 2,-0.4 -0.986 28.2-179.1-137.5 122.7 10.2 29.0 12.0 49 49 A V E -DE 83 111B 0 62,-1.9 62,-2.1 -2,-0.4 2,-0.5 -0.988 11.8-153.8-124.4 135.6 10.1 31.6 14.8 50 50 A L E +DE 82 110B 0 32,-2.7 31,-2.5 -2,-0.4 32,-0.9 -0.959 27.1 146.5-114.7 130.2 8.6 35.0 14.4 51 51 A T E - E 0 109B 0 58,-2.5 58,-1.8 -2,-0.5 2,-0.3 -0.884 54.3 -82.1-144.1 175.3 9.7 38.1 16.5 52 52 A K E >> - E 0 108B 87 27,-0.4 3,-1.7 -2,-0.3 4,-1.0 -0.642 52.9-108.8 -74.9 146.7 10.1 41.8 16.3 53 53 A E G >4 S+ 0 0 90 54,-0.7 3,-1.3 1,-0.3 4,-0.5 0.901 119.0 53.1 -44.5 -49.8 13.4 42.6 14.6 54 54 A A G 34 S+ 0 0 87 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.755 108.2 51.0 -62.1 -23.2 15.0 43.8 17.9 55 55 A D G <> S+ 0 0 39 -3,-1.7 4,-2.4 1,-0.2 5,-0.3 0.675 83.7 91.9 -91.1 -12.2 14.0 40.6 19.7 56 56 A K H S+ 0 0 127 -4,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.911 113.9 47.9 -65.2 -40.4 18.9 37.9 18.8 58 58 A G H > S+ 0 0 23 -4,-0.4 4,-2.6 2,-0.2 5,-0.3 0.906 115.0 46.0 -66.8 -40.5 17.6 37.4 22.4 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 15,-0.3 0.907 114.0 48.5 -67.3 -43.3 15.1 34.8 21.2 60 60 A A H X S+ 0 0 5 -4,-2.9 4,-2.7 -5,-0.3 5,-0.3 0.927 113.6 47.7 -63.7 -42.2 17.8 33.1 19.2 61 61 A T H X S+ 0 0 83 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.958 119.6 36.5 -61.2 -54.7 20.3 33.1 22.2 62 62 A D H X S+ 0 0 49 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.779 115.1 61.6 -71.0 -23.5 17.8 31.8 24.7 63 63 A G H >< S+ 0 0 0 -4,-1.8 3,-1.2 -5,-0.3 4,-0.5 0.977 104.1 42.5 -64.9 -61.5 16.4 29.6 22.0 64 64 A M H >< S+ 0 0 112 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.844 114.4 56.0 -56.3 -31.0 19.6 27.6 21.3 65 65 A N H 3< S+ 0 0 136 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.794 94.9 68.1 -71.4 -27.1 19.9 27.5 25.2 66 66 A A T << S- 0 0 25 -3,-1.2 4,-0.3 -4,-1.0 -1,-0.2 0.611 99.2-134.6 -70.9 -13.6 16.5 25.9 25.5 67 67 A G X > - 0 0 26 -3,-0.9 5,-2.1 -4,-0.5 3,-1.4 0.181 28.7 -72.9 78.9 160.2 17.4 22.6 23.9 68 68 A L G > 5S+ 0 0 73 1,-0.3 3,-1.8 3,-0.2 18,-0.2 0.808 125.9 66.0 -63.9 -30.9 15.7 20.5 21.2 69 69 A A G 3 5S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.704 106.0 44.3 -67.4 -18.3 13.0 19.4 23.7 70 70 A Q G X 5S- 0 0 90 -3,-1.4 3,-0.9 -4,-0.3 -1,-0.3 0.272 117.9-114.9 -99.7 10.0 11.9 23.0 23.7 71 71 A D T < 5 - 0 0 39 -3,-1.8 42,-0.2 1,-0.2 -3,-0.2 0.761 66.4 -70.3 57.1 30.2 12.2 23.3 19.9 72 72 A Y T 3 - 0 0 82 -2,-0.4 3,-1.7 -15,-0.3 -11,-0.1 -0.475 50.3 -93.0 -60.2 124.5 12.7 29.4 25.6 75 75 A A T 3 S- 0 0 70 1,-0.3 -1,-0.1 -2,-0.2 -5,-0.0 -0.119 102.7 -6.2 -45.0 121.2 9.5 28.1 27.2 76 76 A G T 3 S- 0 0 81 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.829 83.0-177.3 59.3 37.9 6.8 30.7 27.2 77 77 A D X - 0 0 13 -3,-1.7 3,-1.5 1,-0.2 -1,-0.2 -0.518 21.2-149.3 -66.5 125.3 9.0 33.5 25.8 78 78 A T T 3 S+ 0 0 144 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.736 93.6 62.3 -67.6 -20.2 6.9 36.8 25.6 79 79 A R T 3 S+ 0 0 55 -24,-0.1 2,-0.6 -28,-0.0 -27,-0.4 0.505 81.3 93.6 -83.3 -7.0 8.9 38.0 22.6 80 80 A V < - 0 0 16 -3,-1.5 -29,-0.2 1,-0.2 3,-0.1 -0.818 48.6-177.5 -94.9 121.3 7.8 35.0 20.4 81 81 A I S S- 0 0 24 -31,-2.5 2,-0.3 -2,-0.6 17,-0.2 0.879 73.3 -18.2 -79.0 -47.1 4.8 36.0 18.4 82 82 A A E -D 50 0B 8 -32,-0.9 -32,-2.7 15,-0.1 -1,-0.4 -0.981 64.4-179.9-157.1 148.3 4.6 32.4 16.8 83 83 A H E -D 49 0B 68 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.1 -0.982 15.4-143.7-150.2 150.7 6.9 29.4 16.4 84 84 A T - 0 0 1 -36,-2.4 2,-0.1 -2,-0.3 11,-0.1 -0.385 34.9 -95.4 -97.7 177.8 6.8 25.9 14.9 85 85 A K - 0 0 111 -2,-0.1 2,-0.5 9,-0.1 -1,-0.2 -0.326 46.4 -91.4 -79.8 173.1 8.5 22.7 16.2 86 86 A V - 0 0 9 -18,-0.2 2,-0.3 -39,-0.1 -39,-0.2 -0.832 52.3-173.7 -87.8 128.3 11.8 21.6 15.0 87 87 A I B -H 46 0D 6 -41,-2.5 -41,-1.8 -2,-0.5 2,-0.2 -0.858 12.6-149.9-122.2 160.1 11.3 19.1 12.1 88 88 A G > - 0 0 1 -2,-0.3 3,-1.8 -43,-0.2 -53,-0.3 -0.526 50.3 -42.5-116.4-177.1 13.6 16.9 10.1 89 89 A G T 3 S+ 0 0 4 -50,-2.7 213,-0.3 1,-0.3 -53,-0.2 -0.225 126.3 16.0 -53.3 132.5 13.6 15.6 6.4 90 90 A G T 3 S+ 0 0 61 -55,-2.3 -1,-0.3 -53,-0.4 2,-0.2 0.406 107.2 104.0 84.7 1.5 10.2 14.5 5.2 91 91 A E < - 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