==== 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 27-MAR-07 2UX6 . 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) . 6452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 63.9 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 . 27 22.1 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 . 8 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.7 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 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 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 79 0, 0.0 29,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.4 3.0 64.1 19.4 2 2 A D E -a 30 0A 115 27,-0.2 2,-0.3 65,-0.0 29,-0.2 -0.934 360.0-173.8-116.5 141.5 5.1 61.2 20.7 3 3 A F E -a 31 0A 66 27,-2.1 29,-2.4 -2,-0.4 2,-0.4 -0.896 13.5-140.5-129.7 159.1 8.7 60.6 19.9 4 4 A E E -a 32 0A 117 -2,-0.3 2,-0.4 27,-0.2 29,-0.2 -0.962 7.9-168.0-120.3 141.1 11.2 57.8 20.7 5 5 A V E -a 33 0A 4 27,-2.3 29,-2.9 -2,-0.4 2,-0.3 -1.000 16.9-150.3-123.1 123.7 14.9 58.1 21.6 6 6 A H E -aB 34 19A 55 13,-3.0 13,-2.5 -2,-0.4 2,-0.6 -0.786 7.2-137.3 -98.9 144.6 16.8 54.9 21.4 7 7 A M E +aB 35 18A 0 27,-1.9 29,-2.1 -2,-0.3 30,-1.7 -0.904 33.2 178.1-100.8 120.2 19.9 54.1 23.6 8 8 A L E - B 0 17A 32 9,-2.6 9,-2.1 -2,-0.6 3,-0.2 -0.927 42.9-141.5-131.2 144.3 22.6 52.4 21.6 9 9 A N E S+ 0 0 69 -2,-0.3 7,-2.8 1,-0.3 2,-0.3 0.821 102.6 1.9 -65.4 -33.5 26.1 51.1 22.1 10 10 A K E S+ B 0 15A 166 5,-0.3 -1,-0.3 6,-0.1 5,-0.3 -0.911 80.0 160.9-156.5 127.6 26.9 52.4 18.6 11 11 A G E > - B 0 14A 25 3,-3.7 3,-1.8 -2,-0.3 7,-0.0 -0.636 59.2 -65.1-132.8-170.3 24.6 54.4 16.3 12 12 A K T 3 S+ 0 0 202 1,-0.3 3,-0.1 -2,-0.2 7,-0.0 0.810 134.1 43.8 -46.6 -35.4 24.6 56.7 13.2 13 13 A D T 3 S- 0 0 102 1,-0.3 2,-0.3 5,-0.1 -1,-0.3 0.373 121.5 -92.8-102.8 4.1 26.4 59.3 15.3 14 14 A G E < -B 11 0A 27 -3,-1.8 -3,-3.7 3,-0.1 3,-0.3 -0.884 64.4 -14.0 128.9-155.9 28.9 57.0 17.1 15 15 A A E S+B 10 0A 43 -2,-0.3 -5,-0.3 -5,-0.3 -6,-0.1 -0.654 113.9 7.4 -97.7 150.8 29.4 55.0 20.2 16 16 A M E S+ 0 0 62 -7,-2.8 2,-0.3 -2,-0.2 -7,-0.2 0.971 95.6 155.1 37.2 79.2 27.3 55.1 23.5 17 17 A V E -B 8 0A 7 -9,-2.1 -9,-2.6 -3,-0.3 2,-0.4 -0.916 52.7-129.4-132.8 150.9 24.7 57.4 22.0 18 18 A F E -B 7 0A 2 67,-0.5 -11,-0.2 -2,-0.3 67,-0.1 -0.832 41.2-123.4 -85.4 137.4 21.1 58.6 22.2 19 19 A E E S+B 6 0A 21 -13,-2.5 -13,-3.0 -2,-0.4 2,-0.1 -0.972 102.4 21.1-132.4 114.0 19.6 58.4 18.7 20 20 A P S S- 0 0 52 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.682 80.6-170.1 -69.9 156.3 18.5 61.0 17.9 21 21 A A S S+ 0 0 25 1,-0.1 66,-2.8 -2,-0.1 2,-0.4 0.492 76.4 46.1 -91.5 -7.4 20.7 63.0 20.4 22 22 A S E +d 87 0B 34 64,-0.2 2,-0.4 97,-0.1 66,-0.2 -1.000 65.3 172.7-133.8 137.3 18.7 66.1 19.6 23 23 A L E -d 88 0B 24 64,-1.9 66,-2.9 -2,-0.4 2,-0.6 -0.979 18.4-155.2-147.2 128.0 14.9 66.5 19.4 24 24 A K E +d 89 0B 97 -2,-0.4 2,-0.3 64,-0.2 66,-0.2 -0.925 27.2 172.0-103.2 122.2 12.7 69.5 19.0 25 25 A V E -d 90 0B 6 64,-3.1 66,-2.0 -2,-0.6 3,-0.1 -0.799 31.0-113.6-127.7 163.8 9.2 69.0 20.4 26 26 A A > - 0 0 48 -2,-0.3 3,-2.5 64,-0.2 42,-0.2 -0.660 51.5 -81.3 -91.5 155.2 6.1 71.1 21.1 27 27 A P T 3 S+ 0 0 83 0, 0.0 42,-0.3 0, 0.0 -1,-0.1 -0.329 120.9 27.2 -53.6 133.7 4.8 71.7 24.6 28 28 A G T 3 S+ 0 0 40 40,-2.5 41,-0.2 1,-0.4 2,-0.1 0.296 91.4 128.6 91.8 -7.9 2.9 68.7 25.7 29 29 A D E < - C 0 68A 19 -3,-2.5 39,-2.8 39,-0.6 -1,-0.4 -0.353 48.7-137.7 -73.2 162.5 4.8 66.3 23.5 30 30 A T E -aC 2 67A 10 -29,-2.1 -27,-2.1 37,-0.2 2,-0.4 -0.882 10.8-159.1-122.6 152.1 6.2 63.1 24.9 31 31 A V E -aC 3 66A 0 35,-2.4 35,-2.7 -2,-0.3 2,-0.5 -0.998 4.9-159.8-128.4 129.3 9.5 61.3 24.5 32 32 A T E -aC 4 65A 32 -29,-2.4 -27,-2.3 -2,-0.4 2,-0.5 -0.957 10.8-147.7-107.6 123.5 10.0 57.6 25.4 33 33 A F E -aC 5 64A 2 31,-3.0 31,-2.5 -2,-0.5 -27,-0.2 -0.820 20.4-170.8 -90.2 120.1 13.6 56.5 25.9 34 34 A I E -a 6 0A 36 -29,-2.9 -27,-1.9 -2,-0.5 2,-0.4 -0.961 20.1-133.3-124.7 115.5 14.0 53.0 24.8 35 35 A P E +a 7 0A 25 0, 0.0 -27,-0.1 0, 0.0 3,-0.1 -0.541 24.5 174.0 -66.4 120.2 17.0 50.8 25.3 36 36 A T S S+ 0 0 78 -29,-2.1 2,-0.3 -2,-0.4 -28,-0.2 0.760 76.9 32.7 -89.0 -36.1 18.0 49.0 22.1 37 37 A D S S- 0 0 53 -30,-1.7 3,-0.5 -3,-0.1 -1,-0.2 -0.864 96.8-102.4-115.0 154.4 21.1 47.7 23.8 38 38 A K S S+ 0 0 176 -2,-0.3 -2,-0.1 1,-0.2 22,-0.0 -0.365 91.6 47.6 -71.2 150.7 21.5 46.7 27.4 39 39 A G S S+ 0 0 28 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.522 82.7 109.4 102.3 13.2 23.3 48.8 30.0 40 40 A H + 0 0 0 -3,-0.5 21,-2.5 -33,-0.1 -1,-0.3 -0.802 31.5 166.9-118.2 157.4 21.8 52.3 29.5 41 41 A N - 0 0 4 -2,-0.3 2,-0.3 19,-0.2 19,-0.1 -0.831 25.6-123.8-142.8-170.8 19.5 54.7 31.3 42 42 A V + 0 0 0 -2,-0.2 16,-2.5 36,-0.1 2,-0.3 -0.997 28.5 161.8-138.8 141.0 18.5 58.4 31.0 43 43 A E E -EF 57 77B 32 34,-2.2 34,-2.7 -2,-0.3 14,-0.2 -0.983 40.8-102.2-150.7 153.2 18.6 61.2 33.5 44 44 A T E - F 0 76B 12 12,-2.2 2,-0.4 -2,-0.3 32,-0.3 -0.456 39.9-115.3 -71.4 147.9 18.5 65.0 33.4 45 45 A I > - 0 0 16 30,-2.7 3,-2.3 3,-0.2 30,-0.2 -0.725 38.7 -97.5 -83.7 135.0 21.8 66.7 33.8 46 46 A K T 3 S+ 0 0 199 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.267 107.5 6.7 -50.6 130.2 22.1 68.9 36.9 47 47 A G T 3 S+ 0 0 62 1,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.373 105.1 102.5 80.3 -1.8 21.3 72.5 36.1 48 48 A M < + 0 0 3 -3,-2.3 27,-2.7 27,-0.2 -3,-0.2 0.007 58.7 77.4-111.7 27.0 20.3 71.8 32.5 49 49 A I S S- 0 0 31 25,-0.2 25,-0.2 4,-0.1 3,-0.1 -0.928 82.0 -93.7-130.8 157.7 16.5 71.9 32.5 50 50 A P > - 0 0 7 0, 0.0 3,-1.9 0, 0.0 2,-0.2 -0.198 42.0 -95.7 -65.6 156.7 14.1 74.9 32.4 51 51 A D T 3 S+ 0 0 164 1,-0.2 3,-0.1 20,-0.1 45,-0.1 -0.536 118.9 38.5 -62.4 138.5 12.5 76.5 35.4 52 52 A G T 3 S+ 0 0 73 1,-0.4 -1,-0.2 -2,-0.2 2,-0.2 0.095 98.3 106.5 99.0 -21.1 9.2 74.8 35.7 53 53 A A < - 0 0 21 -3,-1.9 -1,-0.4 18,-0.1 2,-0.3 -0.638 62.1-138.0 -93.0 151.8 10.7 71.5 34.7 54 54 A E - 0 0 161 -2,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.792 20.8-116.8-102.4 145.7 11.3 68.5 37.0 55 55 A A - 0 0 70 -2,-0.3 2,-0.3 -6,-0.1 -1,-0.1 -0.338 34.4-166.9 -68.9 160.9 14.4 66.4 37.0 56 56 A F - 0 0 23 -2,-0.1 -12,-2.2 10,-0.0 2,-0.3 -0.988 15.0-171.1-151.6 156.8 14.0 62.7 36.1 57 57 A K B -E 43 0B 125 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.961 8.8-157.4-149.9 133.1 16.0 59.4 36.2 58 58 A S - 0 0 6 -16,-2.5 2,-0.2 -2,-0.3 3,-0.1 -0.619 24.8-106.8-102.1 167.6 15.3 56.0 34.8 59 59 A K > - 0 0 154 -2,-0.2 3,-2.3 1,-0.1 -17,-0.1 -0.615 50.2 -81.9 -87.4 152.6 16.6 52.6 35.7 60 60 A I T 3 S+ 0 0 81 1,-0.3 -19,-0.2 -2,-0.2 -1,-0.1 -0.353 118.4 8.1 -51.7 130.3 19.1 50.7 33.6 61 61 A N T 3 S+ 0 0 76 -21,-2.5 2,-0.3 1,-0.2 -1,-0.3 0.379 96.8 138.9 74.2 1.6 17.2 49.0 30.7 62 62 A E < - 0 0 73 -3,-2.3 2,-0.6 -22,-0.3 -1,-0.2 -0.562 56.3-130.8 -78.7 135.8 13.9 50.7 31.6 63 63 A N - 0 0 108 -2,-0.3 2,-0.5 -29,-0.1 -29,-0.2 -0.772 37.8-167.7 -77.4 123.7 11.6 52.1 28.8 64 64 A Y E -C 33 0A 54 -31,-2.5 -31,-3.0 -2,-0.6 2,-0.4 -0.959 14.4-162.4-134.6 119.0 11.0 55.5 30.2 65 65 A K E -C 32 0A 123 -2,-0.5 2,-0.4 -33,-0.3 -33,-0.3 -0.836 8.4-178.0-106.8 135.2 8.4 58.1 29.1 66 66 A V E -C 31 0A 20 -35,-2.7 -35,-2.4 -2,-0.4 2,-0.5 -0.983 18.8-144.2-131.3 139.4 8.5 61.8 29.9 67 67 A T E -C 30 0A 88 -2,-0.4 2,-0.6 -37,-0.2 -37,-0.2 -0.905 17.3-155.0-100.5 128.4 6.0 64.6 29.0 68 68 A F E +C 29 0A 2 -39,-2.8 -40,-2.5 -2,-0.5 -39,-0.6 -0.925 34.2 142.6-109.7 117.5 7.7 68.0 28.2 69 69 A T + 0 0 90 -2,-0.6 -1,-0.1 -42,-0.3 -16,-0.1 0.663 45.3 87.4-119.4 -36.9 5.7 71.2 28.7 70 70 A A S S- 0 0 13 -18,-0.1 20,-0.2 1,-0.1 -18,-0.1 -0.509 82.0-115.5 -72.5 132.4 8.0 73.8 30.1 71 71 A P + 0 0 95 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.350 69.8 54.8 -71.0 145.5 9.8 75.7 27.3 72 72 A G E S- G 0 90B 0 18,-2.2 18,-3.0 22,-0.1 2,-0.3 -0.825 86.4 -44.1 135.9-167.6 13.6 75.6 26.9 73 73 A V E - 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