==== 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 2UXG . 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) . 6379.0 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 . 10 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 9.0 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 81 0, 0.0 29,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.8 3.0 63.8 18.2 2 2 A D E -a 30 0A 118 27,-0.2 2,-0.3 65,-0.0 29,-0.2 -0.936 360.0-171.2-115.3 137.6 5.1 60.9 19.6 3 3 A F E -a 31 0A 64 27,-2.2 29,-2.7 -2,-0.4 2,-0.4 -0.897 11.5-143.8-126.6 151.5 8.8 60.3 18.9 4 4 A E E -a 32 0A 120 -2,-0.3 2,-0.4 27,-0.2 29,-0.2 -0.963 8.6-168.6-118.6 136.0 11.2 57.5 19.7 5 5 A V E -a 33 0A 5 27,-2.5 29,-3.4 -2,-0.4 2,-0.3 -0.995 14.1-150.2-118.5 128.7 14.8 57.8 20.6 6 6 A H E -aB 34 19A 54 13,-3.0 13,-2.8 -2,-0.4 2,-0.6 -0.751 7.7-137.3 -98.8 147.5 16.9 54.6 20.7 7 7 A M E -aB 35 18A 0 27,-1.7 29,-2.2 -2,-0.3 30,-1.7 -0.933 31.5-179.8-104.6 118.7 20.0 53.9 22.9 8 8 A L E - B 0 17A 38 9,-2.8 9,-2.3 -2,-0.6 3,-0.1 -0.895 37.8-136.9-122.8 147.7 22.8 52.2 20.9 9 9 A N E S+ 0 0 65 -2,-0.3 7,-2.6 7,-0.2 2,-0.4 0.771 93.4 35.9 -69.3 -27.8 26.3 51.0 21.7 10 10 A K E + B 0 15A 175 5,-0.3 5,-0.2 7,-0.1 2,-0.2 -0.988 62.8 162.0-136.0 134.7 27.6 52.4 18.5 11 11 A G E > - B 0 14A 13 3,-3.0 3,-0.8 -2,-0.4 8,-0.0 -0.748 57.5 -92.5-129.8-175.8 26.9 55.5 16.3 12 12 A K T 3 S+ 0 0 173 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.733 127.9 58.6 -66.3 -22.7 28.5 57.5 13.5 13 13 A D T 3 S- 0 0 83 1,-0.4 2,-0.3 99,-0.0 -1,-0.2 0.722 120.7-103.0 -70.6 -31.0 29.9 59.5 16.5 14 14 A G E < S-B 11 0A 29 -3,-0.8 -3,-3.0 0, 0.0 -1,-0.4 -0.914 72.7 -2.2 128.0-159.5 31.6 56.5 18.1 15 15 A A E S+B 10 0A 54 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.237 111.9 19.5 -64.5 148.7 30.5 54.5 21.1 16 16 A M E S+ 0 0 45 -7,-2.6 2,-0.3 1,-0.2 -7,-0.2 0.980 74.0 166.9 66.9 84.5 27.4 55.1 23.1 17 17 A V E -B 8 0A 8 -9,-2.3 -9,-2.8 67,-0.2 2,-0.4 -0.948 38.3-134.3-134.3 147.8 24.8 57.2 21.3 18 18 A F E -B 7 0A 3 67,-0.5 -11,-0.2 -2,-0.3 67,-0.1 -0.815 40.3-122.2 -83.8 136.8 21.2 58.4 21.5 19 19 A E E S+B 6 0A 62 -13,-2.8 -13,-3.0 -2,-0.4 2,-0.1 -0.971 101.8 20.1-130.7 115.4 19.6 58.1 18.0 20 20 A P S S- 0 0 62 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.687 81.5-166.3 -72.6 159.7 18.6 60.7 17.1 21 21 A A S S+ 0 0 33 1,-0.2 66,-2.6 -2,-0.1 2,-0.4 0.506 75.3 43.1 -92.4 -7.8 20.7 62.8 19.5 22 22 A S E +d 87 0B 30 64,-0.2 2,-0.4 97,-0.1 66,-0.2 -0.996 62.9 173.5-138.0 140.3 18.6 65.8 18.8 23 23 A L E -d 88 0B 27 64,-1.9 66,-3.0 -2,-0.4 2,-0.6 -0.990 17.8-153.9-144.1 128.0 14.9 66.3 18.5 24 24 A K E +d 89 0B 97 -2,-0.4 2,-0.3 64,-0.2 66,-0.2 -0.926 27.8 175.5-101.5 123.4 12.8 69.4 18.1 25 25 A V E -d 90 0B 6 64,-3.8 66,-2.2 -2,-0.6 3,-0.1 -0.824 30.5-114.9-125.4 162.3 9.3 68.9 19.4 26 26 A A > - 0 0 49 -2,-0.3 3,-2.2 64,-0.2 42,-0.2 -0.589 54.2 -81.0 -83.1 152.7 6.1 71.0 19.9 27 27 A P T 3 S+ 0 0 86 0, 0.0 42,-0.3 0, 0.0 -1,-0.1 -0.361 120.2 24.5 -53.7 133.5 4.8 71.5 23.5 28 28 A G T 3 S+ 0 0 38 40,-2.6 41,-0.2 1,-0.4 2,-0.1 0.294 91.2 127.5 93.5 -9.5 2.9 68.4 24.6 29 29 A D E < - C 0 68A 23 -3,-2.2 39,-2.4 39,-0.6 -1,-0.4 -0.300 49.6-135.6 -67.8 164.6 4.7 66.0 22.3 30 30 A T E -aC 2 67A 8 -29,-2.5 -27,-2.2 37,-0.2 2,-0.4 -0.889 13.6-160.0-126.7 156.4 6.3 62.9 23.7 31 31 A V E -aC 3 66A 0 35,-2.5 35,-2.6 -2,-0.3 2,-0.6 -0.998 7.0-158.2-130.8 133.3 9.5 61.0 23.4 32 32 A T E -aC 4 65A 33 -29,-2.7 -27,-2.5 -2,-0.4 2,-0.6 -0.959 12.1-145.9-110.9 123.1 10.0 57.4 24.3 33 33 A F E -aC 5 64A 2 31,-3.4 31,-2.3 -2,-0.6 -27,-0.2 -0.795 20.1-171.6 -89.7 118.2 13.5 56.4 25.0 34 34 A I E -a 6 0A 38 -29,-3.4 -27,-1.7 -2,-0.6 2,-0.4 -0.927 18.3-137.2-119.1 107.4 14.0 52.8 23.9 35 35 A P E +a 7 0A 24 0, 0.0 -27,-0.1 0, 0.0 3,-0.1 -0.488 20.7 178.2 -64.4 121.2 17.2 50.8 24.6 36 36 A T S S+ 0 0 77 -29,-2.2 2,-0.3 -2,-0.4 -28,-0.2 0.836 75.1 36.9 -83.0 -40.0 18.2 48.8 21.6 37 37 A D S S- 0 0 52 -30,-1.7 3,-0.5 1,-0.1 24,-0.2 -0.811 97.4-101.2-106.8 154.8 21.3 47.5 23.4 38 38 A K S S+ 0 0 174 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 -0.363 94.3 44.6 -72.8 153.1 21.5 46.5 27.0 39 39 A G S S+ 0 0 26 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.625 83.6 112.4 95.8 19.4 23.1 48.7 29.7 40 40 A H + 0 0 0 -3,-0.5 21,-2.9 -33,-0.1 -1,-0.3 -0.830 30.1 163.2-120.0 153.1 21.6 52.1 28.8 41 41 A N - 0 0 2 -2,-0.3 2,-0.4 19,-0.2 19,-0.1 -0.846 27.8-121.1-147.0-171.5 19.2 54.5 30.5 42 42 A V + 0 0 0 -2,-0.3 16,-2.9 36,-0.1 2,-0.3 -0.995 29.2 161.7-137.4 142.5 18.2 58.2 30.2 43 43 A E E -EF 57 77B 32 34,-2.0 34,-2.7 -2,-0.4 14,-0.2 -0.971 40.3-102.2-153.1 154.1 18.3 61.1 32.6 44 44 A T E - F 0 76B 12 12,-2.1 2,-0.4 -2,-0.3 32,-0.3 -0.387 40.7-114.8 -68.3 147.1 18.2 64.9 32.4 45 45 A I > - 0 0 17 30,-3.1 3,-2.3 3,-0.2 30,-0.2 -0.736 39.1 -96.3 -82.1 132.5 21.5 66.6 33.0 46 46 A K T 3 S+ 0 0 197 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.226 108.2 6.4 -39.2 124.2 21.8 68.8 36.1 47 47 A G T 3 S+ 0 0 63 1,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.400 105.5 103.0 79.7 -0.9 21.0 72.4 35.3 48 48 A M < + 0 0 5 -3,-2.3 27,-2.7 27,-0.2 -3,-0.2 -0.055 57.3 80.2-113.9 32.2 20.1 71.6 31.7 49 49 A I S S- 0 0 34 25,-0.2 25,-0.2 -5,-0.1 3,-0.1 -0.970 80.6 -96.5-133.5 153.9 16.3 71.7 31.7 50 50 A P > - 0 0 7 0, 0.0 3,-1.9 0, 0.0 2,-0.1 -0.142 42.2 -92.5 -64.6 158.0 13.9 74.7 31.4 51 51 A D T 3 S+ 0 0 162 1,-0.2 3,-0.1 20,-0.1 45,-0.0 -0.482 120.2 34.7 -60.8 139.2 12.2 76.5 34.2 52 52 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.204 98.8 105.8 94.8 -19.2 8.9 74.8 34.5 53 53 A A < - 0 0 22 -3,-1.9 -1,-0.3 18,-0.1 2,-0.3 -0.638 62.0-136.1 -90.2 155.3 10.4 71.3 33.6 54 54 A E - 0 0 161 -2,-0.2 2,-0.1 -3,-0.1 -10,-0.0 -0.772 20.6-115.3-106.6 150.3 11.0 68.4 36.0 55 55 A A - 0 0 69 -2,-0.3 2,-0.3 -6,-0.1 -1,-0.0 -0.402 35.6-168.9 -74.1 163.1 14.1 66.3 36.0 56 56 A F - 0 0 25 -2,-0.1 -12,-2.1 10,-0.0 2,-0.3 -0.991 16.0-172.1-153.7 156.7 13.8 62.5 35.2 57 57 A K B -E 43 0B 124 -2,-0.3 -14,-0.3 -14,-0.2 2,-0.2 -0.974 10.3-154.2-148.7 132.7 15.7 59.3 35.3 58 58 A S - 0 0 5 -16,-2.9 2,-0.2 -2,-0.3 3,-0.1 -0.572 26.1-105.7 -97.1 169.5 15.0 55.8 33.9 59 59 A K > - 0 0 154 -2,-0.2 3,-2.0 1,-0.1 -17,-0.1 -0.602 51.7 -80.3 -86.5 155.9 16.2 52.4 35.0 60 60 A I T 3 S+ 0 0 81 1,-0.3 -19,-0.2 -2,-0.2 -1,-0.1 -0.355 118.0 6.6 -54.7 130.6 18.8 50.5 33.1 61 61 A N T 3 S+ 0 0 76 -21,-2.9 2,-0.3 1,-0.2 -1,-0.3 0.416 98.0 137.9 75.7 1.7 17.1 48.8 30.1 62 62 A E < - 0 0 73 -3,-2.0 2,-0.5 -22,-0.3 -1,-0.2 -0.617 57.1-128.4 -85.3 134.4 13.7 50.5 30.7 63 63 A N - 0 0 107 -2,-0.3 2,-0.4 -29,-0.1 -29,-0.2 -0.739 37.6-168.6 -71.9 126.5 11.5 51.9 28.0 64 64 A Y E -C 33 0A 60 -31,-2.3 -31,-3.4 -2,-0.5 2,-0.4 -0.976 14.3-162.2-138.3 121.2 10.8 55.4 29.2 65 65 A K E -C 32 0A 121 -2,-0.4 2,-0.4 -33,-0.3 -33,-0.2 -0.821 8.8-177.1-106.7 136.3 8.3 57.9 28.0 66 66 A V E -C 31 0A 20 -35,-2.6 -35,-2.5 -2,-0.4 2,-0.5 -0.994 17.9-145.1-131.3 139.4 8.4 61.6 28.7 67 67 A T E -C 30 0A 83 -2,-0.4 2,-0.6 -37,-0.2 -37,-0.2 -0.917 16.2-154.7-100.9 126.8 6.0 64.4 27.8 68 68 A F E +C 29 0A 2 -39,-2.4 -40,-2.6 -2,-0.5 -39,-0.6 -0.911 34.5 142.3-106.8 118.6 7.7 67.7 27.1 69 69 A T + 0 0 88 -2,-0.6 -1,-0.1 -42,-0.3 -16,-0.1 0.689 44.9 88.3-117.8 -40.4 5.6 70.9 27.6 70 70 A A S S- 0 0 12 -18,-0.1 20,-0.1 1,-0.1 2,-0.1 -0.439 82.6-116.1 -69.0 135.2 7.9 73.6 29.1 71 71 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.447 70.8 58.1 -75.2 144.8 9.7 75.6 26.3 72 72 A G E S- G 0 90B 0 18,-2.1 18,-3.0 -2,-0.1 2,-0.3 -0.855 86.3 -50.9 138.2-169.2 13.5 75.4 26.0 73 73 A V E - 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G 0 76B 2 -10,-2.0 -10,-2.8 -2,-0.3 2,-0.4 -0.964 21.3-125.1-164.0 174.2 21.4 64.3 23.5 87 87 A V E -dG 22 75B 2 -66,-2.6 -64,-1.9 -2,-0.3 2,-0.5 -0.989 9.0-165.0-140.3 122.9 19.1 67.4 23.4 88 88 A V E -dG 23 74B 5 -14,-2.1 -14,-2.2 -2,-0.4 2,-0.5 -0.925 15.4-161.0 -99.0 130.4 15.4 67.7 23.2 89 89 A Q E -dG 24 73B 1 -66,-3.0 -64,-3.8 -2,-0.5 2,-0.5 -0.963 7.5-159.1-113.9 133.6 14.1 71.1 22.2 90 90 A V E -dG 25 72B 0 -18,-3.0 -18,-2.1 -2,-0.5 -64,-0.2 -0.957 62.7 -23.7-106.9 120.0 10.5 72.4 22.8 91 91 A G S S- 0 0 20 -66,-2.2 2,-0.2 -2,-0.5 -66,-0.1 -0.106 87.4 -66.9 77.7-176.5 9.5 75.3 20.6 92 92 A D S S+ 0 0 129 1,-0.2 -2,-0.1 -68,-0.1 29,-0.1 -0.521 108.9 34.1-100.1 173.2 11.8 77.8 18.8 93 93 A A S S- 0 0 92 -2,-0.2 -1,-0.2 1,-0.1 2,-0.0 0.936 79.2-155.1 45.3 61.0 13.9 80.5 20.6 94 94 A P - 0 0 15 0, 0.0 3,-0.5 0, 0.0 -22,-0.1 -0.397 6.2-149.7 -66.0 143.5 14.8 78.4 23.7 95 95 A A S S+ 0 0 107 1,-0.2 3,-0.3 -24,-0.1 -23,-0.1 0.637 88.1 54.1 -90.9 -12.2 15.6 80.6 26.6 96 96 A N >> + 0 0 29 1,-0.2 3,-1.0 2,-0.1 4,-0.8 -0.014 65.2 125.5-114.2 30.2 18.1 78.3 28.4 97 97 A L H >> S+ 0 0 29 -3,-0.5 4,-2.1 1,-0.3 3,-1.0 0.890 70.1 57.5 -53.1 -43.4 20.4 77.7 25.5 98 98 A E H 3> S+ 0 0 127 -3,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.787 93.1 68.3 -66.7 -23.0 23.4 78.9 27.5 99 99 A A H <4 S+ 0 0 38 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.867 111.6 33.0 -62.6 -35.7 22.8 76.2 30.2 100 100 A V H X< S+ 0 0 0 -3,-1.0 3,-0.8 -4,-0.8 -2,-0.2 0.922 124.8 42.7 -81.3 -50.9 23.7 73.5 27.6 101 101 A K H 3< S+ 0 0 88 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.830 112.8 50.2 -62.2 -42.0 26.4 75.5 25.6 102 102 A G T 3< S+ 0 0 51 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.1 0.427 87.3 117.3 -83.6 1.3 28.2 77.2 28.5 103 103 A A < - 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