==== 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 2UX7 . 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) . 6380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 63.1 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 . 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 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 76 0, 0.0 29,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.9 3.1 64.2 18.7 2 2 A D E -a 30 0A 118 27,-0.2 2,-0.3 65,-0.0 29,-0.2 -0.938 360.0-174.1-116.4 137.4 5.1 61.2 20.1 3 3 A F E -a 31 0A 65 27,-2.3 29,-2.5 -2,-0.4 2,-0.4 -0.852 13.0-141.0-125.7 161.9 8.8 60.6 19.4 4 4 A E E -a 32 0A 115 -2,-0.3 2,-0.4 27,-0.2 29,-0.2 -0.971 9.3-170.7-124.3 141.0 11.3 57.9 20.1 5 5 A V E -a 33 0A 5 27,-2.5 29,-2.9 -2,-0.4 2,-0.3 -1.000 15.2-150.9-126.2 130.1 14.9 58.1 21.1 6 6 A H E -aB 34 19A 56 13,-3.0 13,-2.5 -2,-0.4 2,-0.5 -0.781 8.2-135.9-103.4 149.1 17.0 54.9 21.2 7 7 A M E -aB 35 18A 0 27,-1.6 29,-2.4 -2,-0.3 30,-1.5 -0.912 31.4-179.7-104.5 122.0 20.1 54.2 23.5 8 8 A L E - B 0 17A 31 9,-2.8 9,-2.2 -2,-0.5 3,-0.1 -0.926 38.9-140.2-128.2 145.3 22.9 52.5 21.6 9 9 A N E S+ 0 0 67 -2,-0.3 7,-2.5 1,-0.2 2,-0.3 0.797 95.0 15.3 -66.2 -30.4 26.4 51.2 22.3 10 10 A K E + B 0 15A 169 5,-0.3 2,-0.2 6,-0.1 -1,-0.2 -0.994 68.4 150.8-150.1 138.6 27.7 52.6 19.0 11 11 A G E > - B 0 14A 16 3,-2.5 3,-2.1 -2,-0.3 8,-0.0 -0.842 62.5 -72.6-147.2-171.3 26.5 55.1 16.4 12 12 A K T 3 S+ 0 0 177 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.825 129.4 55.5 -56.7 -32.7 27.7 57.5 13.8 13 13 A D T 3 S- 0 0 78 1,-0.3 2,-0.3 99,-0.0 -1,-0.3 0.356 118.1-110.2 -86.0 6.6 28.8 59.8 16.6 14 14 A G E < +B 11 0A 28 -3,-2.1 -3,-2.5 3,-0.0 -1,-0.3 -0.763 67.1 4.1 107.2-150.8 30.9 57.1 18.2 15 15 A A E S+B 10 0A 57 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.521 116.1 8.2 -80.5 139.9 30.6 55.1 21.4 16 16 A M E S+ 0 0 49 -7,-2.5 2,-0.3 -2,-0.2 -7,-0.2 0.985 82.9 169.1 61.3 83.8 27.5 55.4 23.7 17 17 A V E -B 8 0A 7 -9,-2.2 -9,-2.8 67,-0.2 2,-0.4 -0.915 39.8-135.0-130.8 149.4 24.9 57.5 21.9 18 18 A F E -B 7 0A 4 67,-0.5 -11,-0.2 -2,-0.3 67,-0.1 -0.845 39.3-123.5 -87.6 137.7 21.3 58.6 22.0 19 19 A E E S+B 6 0A 52 -13,-2.5 -13,-3.0 -2,-0.4 2,-0.1 -0.971 101.3 20.8-132.5 115.0 19.8 58.4 18.5 20 20 A P S S- 0 0 60 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.682 81.4-167.3 -71.8 159.4 18.7 61.0 17.6 21 21 A A S S+ 0 0 35 1,-0.1 66,-2.4 -2,-0.1 2,-0.3 0.471 74.8 42.7 -94.7 -3.5 20.8 63.1 20.0 22 22 A S E +d 87 0B 33 64,-0.2 2,-0.3 97,-0.1 66,-0.2 -0.997 63.3 173.8-140.5 141.2 18.7 66.2 19.3 23 23 A L E -d 88 0B 24 64,-1.8 66,-2.9 -2,-0.3 2,-0.5 -0.974 17.9-153.9-147.4 129.3 14.9 66.6 19.0 24 24 A K E +d 89 0B 96 -2,-0.3 2,-0.3 64,-0.2 66,-0.2 -0.913 27.8 173.7-102.7 125.8 12.8 69.7 18.6 25 25 A V E -d 90 0B 7 64,-3.4 66,-2.2 -2,-0.5 3,-0.1 -0.839 31.0-113.4-129.6 162.8 9.3 69.2 19.8 26 26 A A > - 0 0 48 -2,-0.3 3,-2.3 64,-0.2 42,-0.2 -0.642 53.2 -81.4 -87.6 154.4 6.1 71.2 20.4 27 27 A P T 3 S+ 0 0 84 0, 0.0 42,-0.3 0, 0.0 -1,-0.1 -0.343 120.6 26.9 -54.6 134.5 4.8 71.8 24.0 28 28 A G T 3 S+ 0 0 38 40,-2.7 41,-0.2 1,-0.4 2,-0.0 0.277 90.8 129.7 93.7 -8.8 2.9 68.7 25.1 29 29 A D E < - C 0 68A 20 -3,-2.3 39,-2.6 39,-0.6 -1,-0.4 -0.322 48.4-137.0 -71.5 162.0 4.8 66.3 22.8 30 30 A T E -aC 2 67A 10 -29,-2.2 -27,-2.3 37,-0.2 2,-0.4 -0.895 11.7-159.7-123.4 151.2 6.3 63.2 24.3 31 31 A V E -aC 3 66A 0 35,-2.5 35,-2.8 -2,-0.3 2,-0.6 -1.000 5.8-159.0-126.0 128.9 9.6 61.3 23.9 32 32 A T E -aC 4 65A 32 -29,-2.5 -27,-2.5 -2,-0.4 2,-0.6 -0.956 10.7-148.2-107.2 122.9 10.0 57.7 24.8 33 33 A F E -aC 5 64A 2 31,-3.1 31,-2.5 -2,-0.6 -27,-0.2 -0.827 19.1-173.5 -92.2 120.8 13.6 56.6 25.5 34 34 A I E -a 6 0A 36 -29,-2.9 -27,-1.6 -2,-0.6 2,-0.3 -0.954 18.9-137.0-126.2 107.2 14.0 53.1 24.4 35 35 A P E -a 7 0A 23 0, 0.0 -27,-0.1 0, 0.0 3,-0.1 -0.529 18.5-178.7 -66.2 128.2 17.2 51.1 25.1 36 36 A T S S+ 0 0 77 -29,-2.4 2,-0.3 -2,-0.3 -28,-0.2 0.790 75.7 34.7 -89.8 -38.4 18.3 49.1 22.1 37 37 A D S S- 0 0 54 -30,-1.5 3,-0.4 1,-0.0 24,-0.2 -0.833 96.0-100.2-113.5 155.3 21.4 47.7 23.9 38 38 A K S S+ 0 0 178 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.348 93.8 47.3 -70.4 152.5 21.6 46.8 27.6 39 39 A G S S+ 0 0 27 1,-0.3 2,-0.3 -2,-0.0 -1,-0.2 0.610 83.4 109.6 98.9 16.3 23.3 49.0 30.2 40 40 A H + 0 0 0 -3,-0.4 21,-2.6 -33,-0.1 -1,-0.3 -0.846 31.4 165.7-120.3 156.4 21.8 52.4 29.4 41 41 A N - 0 0 3 -2,-0.3 2,-0.4 19,-0.2 19,-0.1 -0.854 25.7-123.2-144.7-171.5 19.4 54.9 31.0 42 42 A V + 0 0 0 -2,-0.3 16,-2.7 36,-0.1 2,-0.3 -0.998 30.4 156.3-136.1 141.6 18.3 58.5 30.7 43 43 A E E -EF 57 77B 22 34,-2.0 34,-2.9 -2,-0.4 14,-0.2 -0.978 42.7 -95.8-155.7 159.4 18.2 61.3 33.1 44 44 A T E - F 0 76B 15 12,-2.1 2,-0.4 -2,-0.3 32,-0.3 -0.402 40.4-115.9 -71.2 148.3 18.3 65.1 33.0 45 45 A I > - 0 0 19 30,-2.7 3,-2.4 3,-0.2 30,-0.2 -0.729 40.0 -94.8 -84.6 134.6 21.6 66.9 33.5 46 46 A K T 3 S+ 0 0 197 -2,-0.4 -1,-0.1 1,-0.3 30,-0.0 -0.222 108.2 3.4 -45.8 126.1 21.9 69.0 36.6 47 47 A G T 3 S+ 0 0 63 1,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.440 105.4 104.7 77.2 2.2 21.1 72.7 35.8 48 48 A M < + 0 0 3 -3,-2.4 27,-2.7 27,-0.2 -3,-0.2 -0.037 56.8 79.5-113.2 30.8 20.1 71.9 32.2 49 49 A I S S- 0 0 35 25,-0.2 25,-0.2 4,-0.1 3,-0.1 -0.941 80.4 -95.5-130.1 157.8 16.3 72.0 32.2 50 50 A P > - 0 0 8 0, 0.0 3,-2.0 0, 0.0 2,-0.2 -0.205 40.4 -92.3 -66.6 158.0 14.0 75.0 32.0 51 51 A D T 3 S+ 0 0 161 1,-0.2 3,-0.1 20,-0.1 45,-0.1 -0.483 120.1 35.3 -51.7 132.5 12.2 76.8 34.7 52 52 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.187 98.9 105.9 99.0 -16.5 8.9 75.0 35.0 53 53 A A < - 0 0 21 -3,-2.0 -1,-0.3 18,-0.1 2,-0.3 -0.673 60.6-136.8 -98.1 152.8 10.4 71.6 34.2 54 54 A E - 0 0 163 -2,-0.3 2,-0.0 -3,-0.1 -3,-0.0 -0.791 21.9-115.0-103.7 148.3 11.0 68.6 36.5 55 55 A A - 0 0 71 -2,-0.3 2,-0.3 -6,-0.1 -1,-0.1 -0.335 35.5-167.3 -70.3 159.6 14.1 66.5 36.6 56 56 A F - 0 0 23 -2,-0.0 -12,-2.1 2,-0.0 2,-0.3 -0.989 14.7-173.1-149.3 159.6 13.8 62.8 35.6 57 57 A K B -E 43 0B 127 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.954 9.0-155.3-153.9 131.1 15.7 59.5 35.8 58 58 A S - 0 0 5 -16,-2.7 2,-0.2 -2,-0.3 3,-0.1 -0.660 26.0-106.9 -99.0 164.4 15.0 56.1 34.4 59 59 A K > - 0 0 154 -2,-0.2 3,-2.0 1,-0.1 -17,-0.1 -0.518 51.3 -81.3 -80.4 153.7 16.3 52.7 35.5 60 60 A I T 3 S+ 0 0 82 1,-0.3 -19,-0.2 -2,-0.2 -1,-0.1 -0.363 118.1 9.0 -53.9 132.6 18.9 50.9 33.5 61 61 A N T 3 S+ 0 0 82 -21,-2.6 2,-0.3 1,-0.2 -1,-0.3 0.370 98.1 136.9 76.5 -0.8 17.2 49.1 30.6 62 62 A E < - 0 0 74 -3,-2.0 2,-0.5 -22,-0.3 -1,-0.2 -0.573 56.9-130.4 -82.9 135.3 13.8 50.8 31.2 63 63 A N - 0 0 102 -2,-0.3 2,-0.4 -29,-0.1 -29,-0.2 -0.742 36.9-168.4 -75.8 128.7 11.6 52.2 28.4 64 64 A Y E -C 33 0A 58 -31,-2.5 -31,-3.1 -2,-0.5 2,-0.4 -0.969 14.6-160.5-138.6 118.7 10.9 55.6 29.7 65 65 A K E -C 32 0A 122 -2,-0.4 2,-0.4 -33,-0.3 -33,-0.2 -0.837 9.4-176.9-104.7 134.8 8.3 58.2 28.5 66 66 A V E -C 31 0A 18 -35,-2.8 -35,-2.5 -2,-0.4 2,-0.5 -0.981 17.8-145.1-129.5 137.7 8.4 61.9 29.2 67 67 A T E -C 30 0A 85 -2,-0.4 2,-0.6 -37,-0.2 -37,-0.2 -0.912 16.7-153.7-100.1 126.7 6.0 64.7 28.3 68 68 A F E +C 29 0A 2 -39,-2.6 -40,-2.7 -2,-0.5 -39,-0.6 -0.899 34.8 142.3-107.1 114.9 7.7 68.0 27.6 69 69 A T + 0 0 88 -2,-0.6 -1,-0.2 -42,-0.3 -16,-0.1 0.711 45.1 86.2-116.0 -41.1 5.7 71.2 28.1 70 70 A A S S- 0 0 12 -18,-0.1 20,-0.2 1,-0.1 2,-0.1 -0.460 82.2-115.1 -68.9 133.5 7.9 73.9 29.5 71 71 A P S S+ 0 0 92 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.401 70.4 56.1 -71.3 146.7 9.7 75.8 26.8 72 72 A G E S- G 0 90B 0 18,-2.1 18,-2.8 22,-0.1 2,-0.3 -0.853 86.4 -46.5 134.8-169.6 13.5 75.6 26.5 73 73 A V E - 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G 0 76B 2 -10,-2.1 -10,-2.7 -2,-0.3 2,-0.4 -0.964 20.8-127.7-160.9 174.5 21.5 64.6 24.1 87 87 A V E -dG 22 75B 2 -66,-2.4 -64,-1.8 -2,-0.3 2,-0.5 -0.994 8.4-166.4-137.8 129.2 19.1 67.6 23.9 88 88 A V E -dG 23 74B 5 -14,-2.2 -14,-2.5 -2,-0.4 2,-0.4 -0.950 15.9-160.5-106.0 133.5 15.4 67.9 23.7 89 89 A Q E -dG 24 73B 2 -66,-2.9 -64,-3.4 -2,-0.5 2,-0.6 -0.969 7.7-157.3-117.5 132.0 14.1 71.4 22.8 90 90 A V E -dG 25 72B 0 -18,-2.8 -18,-2.1 -2,-0.4 -64,-0.2 -0.941 62.4 -26.1-104.8 120.1 10.5 72.6 23.3 91 91 A G S S- 0 0 23 -66,-2.2 2,-0.2 -2,-0.6 -66,-0.1 -0.144 89.4 -56.0 77.1-172.5 9.6 75.6 21.1 92 92 A D S S+ 0 0 134 1,-0.2 -2,-0.1 -68,-0.1 29,-0.1 -0.595 108.5 22.8 -99.6 165.2 11.8 78.2 19.4 93 93 A A S S- 0 0 92 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.909 80.6-146.7 43.1 63.6 14.2 80.7 21.1 94 94 A P > - 0 0 14 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.354 4.4-146.4 -60.7 135.4 14.9 78.6 24.2 95 95 A A T 3 S+ 0 0 104 1,-0.2 3,-0.3 -24,-0.1 -23,-0.1 0.711 93.0 51.2 -79.1 -21.3 15.6 80.9 27.2 96 96 A N T >> + 0 0 29 1,-0.2 3,-1.0 2,-0.1 4,-0.7 -0.004 66.7 125.5-107.9 27.6 18.1 78.6 29.0 97 97 A L H X> S+ 0 0 29 -3,-0.8 4,-2.9 1,-0.2 3,-1.1 0.876 71.0 57.3 -52.0 -41.9 20.4 78.0 26.0 98 98 A E H 3> S+ 0 0 130 -3,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.799 93.1 67.6 -65.8 -27.6 23.4 79.2 28.0 99 99 A A H <4 S+ 0 0 40 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.822 117.0 25.7 -59.9 -32.3 22.8 76.6 30.7 100 100 A V H X< S+ 0 0 0 -3,-1.1 3,-1.2 -4,-0.7 -2,-0.2 0.880 126.6 46.0 -91.5 -51.2 23.7 73.9 28.1 101 101 A K H 3< S+ 0 0 89 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.782 115.7 44.0 -67.9 -34.8 25.9 75.9 25.8 102 102 A G T 3< S+ 0 0 44 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.235 89.9 118.0 -97.9 12.5 28.1 77.6 28.4 103 103 A A < - 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