==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 28-MAR-07 2UXF . COMPND 2 MOLECULE: PSEUDOAZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER CYCLOCLASTES; . AUTHOR M.VELARDE,R.HUBER,S.YANAGISAWA,C.DENNISON,A.MESSERSCHMIDT . 122 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 20.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 . 10 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 0 1 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 . 1 1 0 0 2 1 0 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 0 1 1 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 77 0, 0.0 29,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.6 3.0 64.0 18.8 2 2 A D E -a 30 0A 118 27,-0.2 2,-0.3 65,-0.0 29,-0.2 -0.923 360.0-174.1-111.8 139.3 5.0 61.1 20.3 3 3 A F E -a 31 0A 66 27,-2.2 29,-2.5 -2,-0.4 2,-0.4 -0.911 12.7-141.8-130.9 155.7 8.7 60.5 19.4 4 4 A E E -a 32 0A 114 -2,-0.3 2,-0.4 27,-0.2 29,-0.2 -0.939 7.0-165.4-121.2 142.1 11.2 57.8 20.3 5 5 A V E -a 33 0A 4 27,-2.5 29,-3.0 -2,-0.4 2,-0.4 -0.999 16.0-147.5-123.9 128.5 14.9 58.0 21.1 6 6 A H E -aB 34 19A 59 13,-2.8 13,-2.2 -2,-0.4 2,-0.6 -0.780 5.4-140.1 -98.4 139.6 16.9 54.8 21.0 7 7 A M E +aB 35 18A 0 27,-2.2 30,-1.8 -2,-0.4 29,-1.6 -0.904 33.2 176.1 -99.7 119.8 19.9 54.0 23.3 8 8 A L E - B 0 17A 31 9,-2.6 9,-2.1 -2,-0.6 3,-0.1 -0.920 42.6-137.6-131.3 146.9 22.6 52.3 21.3 9 9 A N E S+ 0 0 70 -2,-0.3 7,-2.6 7,-0.2 2,-0.3 0.807 94.4 20.4 -68.9 -29.9 26.2 51.0 21.8 10 10 A K E + B 0 15A 168 5,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.999 64.2 143.2-146.2 143.1 27.2 52.5 18.4 11 11 A G E > - B 0 14A 19 3,-2.1 3,-2.5 -2,-0.3 8,-0.0 -0.908 65.3 -70.6-157.3-171.2 26.1 55.1 15.9 12 12 A K T 3 S+ 0 0 178 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.817 129.1 57.4 -60.4 -30.1 27.5 57.7 13.4 13 13 A D T 3 S- 0 0 71 1,-0.3 2,-0.3 99,-0.0 -1,-0.3 0.490 119.9-108.9 -76.4 -3.6 28.6 59.9 16.4 14 14 A G E < -B 11 0A 26 -3,-2.5 -3,-2.1 3,-0.0 -1,-0.3 -0.783 65.7 -5.0 107.2-155.8 30.7 56.9 17.7 15 15 A A E S+B 10 0A 53 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.423 114.3 18.5 -78.5 146.2 30.1 54.7 20.7 16 16 A M E S+ 0 0 55 -7,-2.6 2,-0.3 1,-0.2 -7,-0.2 0.991 81.9 163.7 66.7 78.6 27.3 55.1 23.3 17 17 A V E -B 8 0A 5 -9,-2.1 -9,-2.6 67,-0.2 2,-0.4 -0.925 44.4-135.2-133.4 148.6 24.7 57.4 21.7 18 18 A F E -B 7 0A 3 67,-0.5 -11,-0.2 -2,-0.3 67,-0.1 -0.836 42.1-125.1 -86.7 136.6 21.1 58.5 21.9 19 19 A E E S+B 6 0A 52 -13,-2.2 -13,-2.8 -2,-0.4 2,-0.1 -0.969 100.6 21.7-135.1 116.3 19.7 58.4 18.4 20 20 A P S S- 0 0 60 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.666 81.6-170.2 -75.1 156.9 18.6 60.9 17.5 21 21 A A S S+ 0 0 31 1,-0.2 66,-2.8 -2,-0.1 2,-0.4 0.467 74.7 48.4 -90.7 -6.1 20.7 62.9 20.0 22 22 A S E +d 87 0B 33 64,-0.2 2,-0.4 97,-0.1 66,-0.2 -0.988 63.2 172.0-136.2 136.2 18.7 66.0 19.2 23 23 A L E -d 88 0B 24 64,-2.1 66,-3.1 -2,-0.4 2,-0.6 -0.987 18.7-155.7-144.2 126.2 14.9 66.4 19.0 24 24 A K E +d 89 0B 104 -2,-0.4 2,-0.3 64,-0.2 66,-0.2 -0.918 28.7 174.0-100.5 121.3 12.8 69.6 18.6 25 25 A V E -d 90 0B 7 64,-3.6 66,-2.0 -2,-0.6 3,-0.1 -0.789 31.3-111.9-126.7 166.9 9.3 69.0 19.9 26 26 A A > - 0 0 48 -2,-0.3 3,-2.6 64,-0.2 42,-0.2 -0.653 51.5 -84.9 -93.2 151.0 6.1 71.0 20.6 27 27 A P T 3 S+ 0 0 83 0, 0.0 42,-0.3 0, 0.0 -1,-0.1 -0.364 120.5 27.4 -55.0 137.9 4.9 71.6 24.1 28 28 A G T 3 S+ 0 0 39 40,-3.0 41,-0.2 1,-0.4 42,-0.0 0.268 92.2 127.8 92.2 -9.1 2.9 68.6 25.2 29 29 A D E < - C 0 68A 19 -3,-2.6 39,-2.7 39,-0.6 -1,-0.4 -0.275 49.3-138.1 -71.9 163.9 4.8 66.2 23.0 30 30 A T E -aC 2 67A 9 -29,-2.3 -27,-2.2 37,-0.2 2,-0.4 -0.925 11.9-159.9-127.4 155.0 6.3 63.1 24.4 31 31 A V E -aC 3 66A 0 35,-2.2 35,-2.6 -2,-0.3 2,-0.6 -1.000 6.8-158.1-132.1 126.3 9.6 61.2 24.0 32 32 A T E -aC 4 65A 34 -29,-2.5 -27,-2.5 -2,-0.4 2,-0.6 -0.962 11.3-145.8-106.1 126.7 10.0 57.6 24.9 33 33 A F E -aC 5 64A 2 31,-3.2 31,-2.6 -2,-0.6 -27,-0.2 -0.810 20.6-170.5 -92.1 121.9 13.6 56.5 25.5 34 34 A I E -a 6 0A 37 -29,-3.0 -27,-2.2 -2,-0.6 2,-0.8 -0.947 20.1-134.5-125.2 114.7 14.0 52.9 24.4 35 35 A P E +a 7 0A 25 0, 0.0 -27,-0.1 0, 0.0 -29,-0.1 -0.583 24.3 173.8 -71.7 111.3 17.0 50.8 25.0 36 36 A T S S+ 0 0 76 -29,-1.6 2,-0.3 -2,-0.8 -28,-0.2 0.835 76.9 33.5 -79.1 -35.1 18.0 49.0 21.8 37 37 A D S S- 0 0 54 -30,-1.8 3,-0.5 -3,-0.2 24,-0.2 -0.881 97.5-103.5-115.5 153.4 21.1 47.7 23.5 38 38 A K S S+ 0 0 174 -2,-0.3 -2,-0.1 1,-0.2 22,-0.0 -0.385 91.9 46.3 -73.2 152.7 21.4 46.7 27.1 39 39 A G S S+ 0 0 28 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.558 83.2 108.2 102.0 12.6 23.1 48.7 29.8 40 40 A H + 0 0 0 -3,-0.5 21,-2.8 -33,-0.1 -1,-0.3 -0.779 32.6 168.0-115.3 159.0 21.8 52.3 29.2 41 41 A N - 0 0 4 -2,-0.3 2,-0.4 19,-0.2 19,-0.1 -0.871 25.5-122.0-145.2-171.0 19.4 54.7 30.9 42 42 A V + 0 0 0 -2,-0.3 16,-3.1 36,-0.1 2,-0.3 -0.990 29.1 160.3-135.7 141.9 18.4 58.3 30.6 43 43 A E E -EF 57 77B 33 34,-1.9 34,-2.7 -2,-0.4 14,-0.2 -0.974 41.1-102.0-151.3 158.9 18.4 61.2 33.1 44 44 A T E - F 0 76B 11 12,-2.2 2,-0.4 -2,-0.3 32,-0.3 -0.492 40.1-114.2 -75.9 152.1 18.4 65.0 33.0 45 45 A I > - 0 0 17 30,-2.6 3,-2.4 3,-0.2 30,-0.2 -0.730 38.9 -98.0 -86.1 132.6 21.7 66.7 33.5 46 46 A K T 3 S+ 0 0 199 -2,-0.4 -1,-0.1 1,-0.3 29,-0.0 -0.261 108.5 8.2 -46.1 131.1 21.9 68.9 36.6 47 47 A G T 3 S+ 0 0 62 1,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.414 105.3 102.4 78.0 -2.7 21.3 72.5 35.8 48 48 A M < + 0 0 4 -3,-2.4 27,-2.6 27,-0.2 -3,-0.2 0.035 58.0 79.4-113.2 28.2 20.2 71.7 32.2 49 49 A I S S- 0 0 33 25,-0.2 25,-0.2 4,-0.1 3,-0.1 -0.954 80.2 -95.6-130.9 155.8 16.5 71.8 32.2 50 50 A P > - 0 0 8 0, 0.0 3,-1.8 0, 0.0 2,-0.3 -0.079 41.1 -93.4 -63.3 157.6 14.1 74.8 32.0 51 51 A D T 3 S+ 0 0 160 1,-0.2 3,-0.1 20,-0.1 45,-0.0 -0.592 120.7 35.9 -60.4 131.4 12.4 76.7 34.8 52 52 A G T 3 S+ 0 0 75 1,-0.4 -1,-0.2 -2,-0.3 2,-0.2 0.120 98.7 106.6 103.5 -19.8 9.1 74.9 35.0 53 53 A A < - 0 0 22 -3,-1.8 -1,-0.4 18,-0.1 2,-0.3 -0.590 60.6-138.2 -92.7 152.8 10.6 71.4 34.1 54 54 A E - 0 0 164 -2,-0.2 -3,-0.0 -3,-0.1 2,-0.0 -0.841 21.7-117.0-103.0 145.1 11.1 68.5 36.5 55 55 A A - 0 0 69 -2,-0.3 2,-0.3 -6,-0.1 -1,-0.0 -0.314 34.6-168.6 -68.2 164.0 14.3 66.3 36.5 56 56 A F - 0 0 23 10,-0.0 -12,-2.2 2,-0.0 2,-0.3 -0.981 15.1-169.9-152.7 161.6 13.9 62.6 35.7 57 57 A K B -E 43 0B 129 -2,-0.3 -14,-0.3 -14,-0.2 2,-0.2 -0.942 9.6-154.8-154.0 129.1 15.9 59.4 35.8 58 58 A S - 0 0 5 -16,-3.1 2,-0.2 -2,-0.3 3,-0.1 -0.584 24.7-108.0 -97.7 169.0 15.2 56.0 34.3 59 59 A K > - 0 0 155 -2,-0.2 3,-2.2 1,-0.1 -17,-0.1 -0.623 51.5 -80.1 -89.0 155.2 16.4 52.5 35.4 60 60 A I T 3 S+ 0 0 83 1,-0.3 -19,-0.2 -2,-0.2 -1,-0.1 -0.340 118.3 6.6 -54.3 132.7 19.0 50.7 33.3 61 61 A N T 3 S+ 0 0 72 -21,-2.8 2,-0.3 1,-0.2 -1,-0.3 0.455 97.4 140.7 72.9 2.3 17.2 49.0 30.4 62 62 A E < - 0 0 71 -3,-2.2 2,-0.5 -22,-0.3 -1,-0.2 -0.600 56.1-128.9 -81.3 134.4 13.9 50.6 31.2 63 63 A N - 0 0 112 -2,-0.3 2,-0.5 -29,-0.1 -29,-0.2 -0.736 38.5-167.9 -73.2 122.0 11.6 51.9 28.5 64 64 A Y E -C 33 0A 57 -31,-2.6 -31,-3.2 -2,-0.5 2,-0.4 -0.952 15.3-165.0-135.1 119.1 10.9 55.5 29.7 65 65 A K E -C 32 0A 124 -2,-0.5 2,-0.4 -33,-0.3 -33,-0.2 -0.844 7.1-177.0-107.2 136.1 8.4 58.0 28.6 66 66 A V E -C 31 0A 20 -35,-2.6 -35,-2.2 -2,-0.4 2,-0.5 -0.988 18.4-143.8-130.5 138.6 8.5 61.8 29.4 67 67 A T E -C 30 0A 87 -2,-0.4 2,-0.6 -37,-0.2 -37,-0.2 -0.884 18.4-154.1 -98.4 125.2 6.0 64.5 28.5 68 68 A F E +C 29 0A 3 -39,-2.7 -40,-3.0 -2,-0.5 -39,-0.6 -0.913 35.6 140.8-105.3 121.1 7.7 67.8 27.7 69 69 A T + 0 0 88 -2,-0.6 -1,-0.1 -42,-0.3 -16,-0.1 0.687 45.0 88.1-120.6 -40.8 5.7 71.1 28.3 70 70 A A S S- 0 0 12 -18,-0.1 20,-0.2 1,-0.1 -18,-0.1 -0.475 81.3-119.4 -65.5 130.3 8.1 73.8 29.7 71 71 A P + 0 0 90 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.406 69.2 58.8 -75.1 146.6 9.8 75.6 26.9 72 72 A G E S- G 0 90B 0 18,-2.2 18,-2.9 22,-0.1 2,-0.3 -0.814 87.1 -47.4 134.5-170.6 13.6 75.5 26.5 73 73 A V E - 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G 0 76B 2 -10,-2.2 -10,-2.6 -2,-0.3 2,-0.4 -0.948 21.0-126.0-160.5 175.2 21.4 64.4 24.0 87 87 A V E -dG 22 75B 2 -66,-2.8 -64,-2.1 -2,-0.3 2,-0.5 -0.986 9.8-166.1-138.6 123.0 19.2 67.5 23.8 88 88 A V E -dG 23 74B 5 -14,-2.2 -14,-2.4 -2,-0.4 2,-0.5 -0.931 15.4-160.1-101.6 132.3 15.4 67.8 23.7 89 89 A Q E -dG 24 73B 2 -66,-3.1 -64,-3.6 -2,-0.5 2,-0.6 -0.964 8.0-159.4-115.9 129.5 14.1 71.2 22.8 90 90 A V E -dG 25 72B 0 -18,-2.9 -18,-2.2 -2,-0.5 -64,-0.2 -0.948 63.3 -25.7-103.5 121.9 10.6 72.5 23.4 91 91 A G S S- 0 0 21 -66,-2.0 2,-0.2 -2,-0.6 -66,-0.1 -0.163 88.2 -65.6 75.1-171.9 9.6 75.4 21.2 92 92 A D S S+ 0 0 132 1,-0.2 29,-0.1 -68,-0.1 -2,-0.1 -0.558 108.7 32.8-104.9 175.8 11.8 78.0 19.5 93 93 A A S S- 0 0 94 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.935 79.7-153.5 37.3 67.7 14.1 80.6 21.2 94 94 A P > - 0 0 15 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.463 5.3-148.4 -66.8 141.5 14.9 78.4 24.2 95 95 A A T 3 S+ 0 0 108 1,-0.2 3,-0.3 -24,-0.1 -23,-0.1 0.659 89.6 54.1 -89.0 -13.3 15.7 80.7 27.2 96 96 A N T >> + 0 0 29 1,-0.2 3,-0.8 2,-0.1 4,-0.8 0.032 66.6 124.9-111.2 26.9 18.1 78.4 29.0 97 97 A L H X> S+ 0 0 24 -3,-0.5 4,-2.6 1,-0.2 3,-0.8 0.840 70.4 56.1 -49.3 -42.2 20.5 77.8 26.0 98 98 A E H 3> S+ 0 0 124 -3,-0.3 4,-2.5 1,-0.3 -1,-0.2 0.824 92.9 69.8 -72.3 -25.6 23.5 79.0 27.9 99 99 A A H <4 S+ 0 0 40 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.856 114.9 27.0 -54.2 -38.3 22.9 76.4 30.6 100 100 A V H X< S+ 0 0 0 -3,-0.8 3,-1.2 -4,-0.8 -2,-0.2 0.897 124.4 47.4 -87.3 -48.7 23.8 73.7 28.1 101 101 A K H 3< S+ 0 0 82 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.801 114.3 45.9 -66.4 -34.3 26.2 75.6 25.7 102 102 A G T 3< S+ 0 0 45 -4,-2.5 -1,-0.3 -5,-0.2 -3,-0.1 0.338 88.2 117.6 -95.5 6.7 28.3 77.2 28.5 103 103 A A < - 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