==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 01-SEP-08 2JKW . COMPND 2 MOLECULE: PSEUDOAZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER CYCLOCLASTES; . AUTHOR S.YANAGISAWA,P.B.CROWLEY,S.J.FIRBANK,A.T.LAWLER,D.M.HUNTER, . 248 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 19.4 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 0.8 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 . 25 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 0 1 0 0 0 0 0 1 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 2 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 PARALLEL BRIDGES PER LADDER . 2 2 0 2 2 2 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 2 2 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 15 0, 0.0 29,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 149.7 -0.1 11.6 15.6 2 2 A D E -a 30 0A 25 176,-2.7 175,-2.5 173,-0.3 176,-0.5 -0.937 360.0-177.4-118.6 113.2 -1.6 10.7 12.2 3 3 A F E -a 31 0A 28 27,-2.9 29,-2.4 -2,-0.5 2,-0.4 -0.724 13.4-140.5-108.4 163.9 0.6 10.3 9.1 4 4 A E E -a 32 0A 56 -2,-0.3 2,-0.4 27,-0.2 29,-0.2 -0.975 11.8-174.1-126.2 140.6 -0.1 9.6 5.4 5 5 A V E -a 33 0A 5 27,-2.6 29,-3.1 -2,-0.4 2,-0.3 -0.999 18.8-146.0-128.7 126.9 1.6 7.4 2.8 6 6 A H E -aB 34 19A 61 13,-3.0 13,-2.4 -2,-0.4 2,-0.6 -0.746 3.6-143.0 -96.6 143.9 0.4 7.5 -0.8 7 7 A M E + B 0 18A 0 27,-2.7 30,-1.7 -2,-0.3 29,-0.5 -0.935 30.8 178.9-109.2 117.8 0.3 4.6 -3.1 8 8 A L E - B 0 17A 24 9,-2.7 9,-1.9 -2,-0.6 3,-0.1 -0.883 42.6-136.8-127.8 148.1 1.3 5.6 -6.7 9 9 A N E S+ 0 0 73 -2,-0.3 7,-2.4 1,-0.2 2,-0.3 0.803 95.5 0.6 -68.1 -29.5 1.8 4.1 -10.2 10 10 A K E + B 0 15A 162 5,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.986 68.1 149.6-157.3 155.1 4.9 6.3 -10.5 11 11 A G E > - B 0 14A 23 3,-2.8 3,-2.3 -2,-0.3 8,-0.0 -0.893 64.0 -55.2-160.9-168.8 7.0 8.8 -8.7 12 12 A K T 3 S+ 0 0 123 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 0.851 130.3 52.8 -46.4 -39.0 10.5 10.1 -8.2 13 13 A D T 3 S- 0 0 88 1,-0.2 2,-0.3 101,-0.0 -1,-0.3 0.454 119.4-100.1 -89.6 1.1 11.8 6.6 -7.5 14 14 A G E < -B 11 0A 33 -3,-2.3 -3,-2.8 3,-0.0 2,-0.3 -0.876 68.1 -12.4 121.9-150.1 10.3 5.0 -10.5 15 15 A A E S+B 10 0A 48 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.639 115.2 17.2 -91.3 147.1 7.2 2.9 -11.1 16 16 A F E S+ 0 0 59 -7,-2.4 2,-0.3 -2,-0.3 -7,-0.2 0.993 84.6 163.2 61.4 79.7 5.0 1.5 -8.3 17 17 A V E -B 8 0A 5 -9,-1.9 -9,-2.7 -3,-0.2 2,-0.4 -0.903 42.5-136.0-132.2 149.5 6.0 3.4 -5.3 18 18 A F E -B 7 0A 5 69,-0.6 -11,-0.2 -2,-0.3 69,-0.1 -0.882 37.8-123.1 -92.4 139.5 5.0 4.3 -1.7 19 19 A E E S+B 6 0A 71 -13,-2.4 -13,-3.0 -2,-0.4 2,-0.2 -0.961 100.7 22.9-133.9 118.3 5.5 8.1 -0.9 20 20 A P S S- 0 0 60 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.606 80.5-165.3 -69.6 156.7 7.3 8.6 1.4 21 21 A A S S+ 0 0 34 -2,-0.2 68,-2.2 1,-0.2 2,-0.4 0.496 78.5 40.1 -86.4 -10.3 9.0 5.2 1.1 22 22 A S E +d 89 0B 28 66,-0.2 2,-0.3 99,-0.1 68,-0.2 -0.994 68.5 172.7-139.1 138.2 10.4 5.7 4.6 23 23 A L E -d 90 0B 20 66,-1.8 68,-3.0 -2,-0.4 2,-0.5 -0.986 19.7-151.3-146.6 134.1 8.7 7.2 7.7 24 24 A K E +d 91 0B 62 -2,-0.3 2,-0.3 66,-0.2 68,-0.2 -0.928 26.8 165.3-106.4 128.9 9.5 7.5 11.3 25 25 A V E -d 92 0B 7 66,-2.9 68,-3.3 -2,-0.5 6,-0.0 -0.807 33.5-109.8-130.4 171.9 6.6 7.6 13.8 26 26 A A > - 0 0 45 -2,-0.3 3,-2.4 66,-0.2 42,-0.2 -0.715 48.3 -82.9-100.4 155.3 6.2 7.3 17.6 27 27 A P T 3 S+ 0 0 69 0, 0.0 42,-0.3 0, 0.0 3,-0.1 -0.366 120.2 29.3 -58.8 132.8 4.6 4.3 19.3 28 28 A G T 3 S+ 0 0 42 40,-3.1 41,-0.2 1,-0.4 2,-0.1 0.228 93.3 127.2 97.8 -12.2 0.8 4.8 19.2 29 29 A D < - 0 0 18 -3,-2.4 39,-2.8 39,-0.5 -1,-0.4 -0.308 50.2-135.4 -73.4 160.0 0.9 6.8 16.0 30 30 A T E -aC 2 67A 12 -29,-2.8 -27,-2.9 37,-0.2 2,-0.4 -0.874 10.3-160.5-116.7 151.0 -1.2 6.0 13.0 31 31 A V E -aC 3 66A 0 35,-2.5 35,-2.7 -2,-0.3 2,-0.6 -1.000 6.5-155.5-127.1 130.8 -0.4 5.8 9.3 32 32 A T E -aC 4 65A 17 -29,-2.4 -27,-2.6 -2,-0.4 2,-0.7 -0.941 9.2-148.9-104.6 122.6 -3.1 5.9 6.6 33 33 A F E -aC 5 64A 2 31,-2.8 31,-2.1 -2,-0.6 -27,-0.2 -0.830 19.4-155.6 -92.5 116.9 -2.1 4.3 3.3 34 34 A I E -a 6 0A 27 -29,-3.1 -27,-2.7 -2,-0.7 2,-2.0 -0.846 15.3-137.6-109.4 123.3 -3.9 6.3 0.6 35 35 A P + 0 0 36 0, 0.0 -27,-0.1 0, 0.0 -29,-0.1 -0.492 34.1 162.9 -78.4 78.3 -4.8 4.8 -2.8 36 36 A T S S+ 0 0 70 -2,-2.0 2,-0.3 -29,-0.5 -28,-0.2 0.903 75.3 27.9 -62.4 -42.8 -3.9 7.8 -5.0 37 37 A D S S- 0 0 53 -30,-1.7 3,-0.5 -3,-0.2 24,-0.1 -0.858 98.4-104.9-112.4 152.1 -3.9 5.5 -8.0 38 38 A K S S+ 0 0 163 -2,-0.3 -2,-0.1 1,-0.2 22,-0.0 -0.408 90.8 49.1 -75.1 155.1 -5.9 2.3 -8.4 39 39 A G S S+ 0 0 29 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.468 83.5 110.2 102.2 9.5 -4.6 -1.2 -8.0 40 40 A H + 0 0 0 -3,-0.5 21,-2.7 -33,-0.1 22,-0.3 -0.752 31.6 166.3-117.2 155.5 -2.6 -1.0 -4.8 41 41 A N - 0 0 3 -2,-0.3 2,-0.4 19,-0.2 19,-0.1 -0.859 28.8-117.4-144.3-172.2 -2.7 -2.3 -1.2 42 42 A V + 0 0 0 -2,-0.3 16,-2.9 36,-0.2 2,-0.3 -1.000 29.9 166.5-136.8 136.5 -0.4 -2.5 1.8 43 43 A E E -EF 57 77B 21 34,-2.3 34,-2.7 -2,-0.4 14,-0.3 -0.996 38.3-110.3-145.8 135.5 0.8 -5.6 3.6 44 44 A T E - F 0 76B 1 12,-2.5 2,-0.5 -2,-0.3 32,-0.3 -0.488 38.8-113.7 -63.1 142.3 3.5 -6.2 6.1 45 45 A I > - 0 0 5 30,-2.8 3,-2.3 3,-0.2 30,-0.3 -0.659 36.3-111.4 -77.9 126.1 6.5 -8.2 4.7 46 46 A K T 3 S+ 0 0 119 -2,-0.5 -1,-0.1 1,-0.3 30,-0.0 -0.426 103.2 17.8 -67.0 125.7 6.5 -11.5 6.5 47 47 A G T 3 S+ 0 0 69 -2,-0.2 -1,-0.3 3,-0.1 58,-0.1 0.342 105.6 90.8 96.1 -3.2 9.6 -11.7 8.7 48 48 A M < + 0 0 0 -3,-2.3 27,-2.5 27,-0.2 -3,-0.2 -0.132 63.5 89.2-120.4 36.4 10.1 -7.9 8.6 49 49 A I S S- 0 0 38 25,-0.2 25,-0.2 -5,-0.1 3,-0.1 -0.920 78.7 -95.1-129.8 157.0 8.2 -6.7 11.6 50 50 A P > - 0 0 7 0, 0.0 3,-2.1 0, 0.0 22,-0.1 -0.162 52.2 -76.9 -69.6 162.6 9.3 -6.3 15.3 51 51 A D T 3 S+ 0 0 165 1,-0.3 3,-0.1 20,-0.1 46,-0.1 -0.339 119.7 14.8 -58.3 132.6 8.9 -8.8 18.1 52 52 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.335 94.8 130.1 85.5 -5.6 5.3 -8.8 19.3 53 53 A A < - 0 0 23 -3,-2.1 2,-0.3 18,-0.1 -1,-0.3 -0.536 55.1-125.1 -78.5 149.3 3.9 -6.9 16.3 54 54 A E - 0 0 170 -2,-0.2 2,-0.1 -3,-0.1 16,-0.1 -0.729 20.7-124.8 -91.1 140.4 0.8 -8.1 14.4 55 55 A A - 0 0 56 -2,-0.3 2,-0.3 -6,-0.1 -1,-0.1 -0.368 30.4-168.4 -71.2 159.5 0.9 -8.6 10.6 56 56 A F - 0 0 25 -2,-0.1 -12,-2.5 2,-0.0 2,-0.3 -0.988 17.5-174.8-149.7 159.3 -1.6 -6.8 8.4 57 57 A K B -E 43 0B 124 -2,-0.3 -14,-0.3 -14,-0.3 2,-0.1 -0.881 13.7-155.2-156.7 120.4 -2.8 -6.8 4.8 58 58 A S - 0 0 6 -16,-2.9 2,-0.2 -2,-0.3 3,-0.1 -0.417 25.5-100.1 -92.3 168.2 -5.3 -4.3 3.3 59 59 A K > - 0 0 131 -2,-0.1 3,-2.2 1,-0.1 -17,-0.1 -0.567 50.6 -83.9 -83.7 153.4 -7.7 -4.7 0.4 60 60 A I T 3 S+ 0 0 81 1,-0.3 -19,-0.2 -2,-0.2 -1,-0.1 -0.380 116.3 8.3 -59.6 132.1 -6.9 -3.3 -3.0 61 61 A N T 3 S+ 0 0 63 -21,-2.7 2,-0.3 1,-0.3 -1,-0.3 0.400 93.6 144.7 73.1 6.2 -7.9 0.4 -3.2 62 62 A E < - 0 0 71 -3,-2.2 2,-1.0 -22,-0.3 -1,-0.3 -0.567 53.6-135.2 -75.3 129.9 -8.6 0.5 0.5 63 63 A N - 0 0 80 -2,-0.3 2,-0.6 -29,-0.1 -29,-0.2 -0.783 40.4-164.3 -80.2 103.0 -7.8 3.7 2.3 64 64 A Y E -C 33 0A 51 -31,-2.1 -31,-2.8 -2,-1.0 2,-0.5 -0.876 20.4-164.5-117.4 116.6 -6.2 1.9 5.2 65 65 A K E -C 32 0A 87 -2,-0.6 2,-0.4 -33,-0.3 -33,-0.3 -0.834 11.3-177.4-102.5 128.1 -5.4 3.3 8.6 66 66 A V E -C 31 0A 14 -35,-2.7 -35,-2.5 -2,-0.5 2,-0.5 -0.975 18.6-144.5-124.7 134.1 -3.0 1.3 10.9 67 67 A T E -C 30 0A 83 -2,-0.4 2,-0.6 -37,-0.2 -37,-0.2 -0.894 15.4-151.5-100.0 127.8 -1.9 2.1 14.4 68 68 A F + 0 0 3 -39,-2.8 -40,-3.1 -2,-0.5 -39,-0.5 -0.888 31.7 150.9-102.2 118.7 1.7 1.2 15.1 69 69 A T + 0 0 93 -2,-0.6 -1,-0.2 -42,-0.3 -16,-0.1 0.757 47.1 79.9-116.9 -41.2 2.4 0.3 18.8 70 70 A A S S- 0 0 17 1,-0.1 22,-0.1 -20,-0.1 -1,-0.1 -0.569 83.0-121.5 -74.3 121.6 5.3 -2.2 18.9 71 71 A P + 0 0 84 0, 0.0 2,-0.2 0, 0.0 22,-0.2 -0.283 65.9 68.9 -64.9 150.5 8.6 -0.4 18.5 72 72 A G E S- G 0 92B 1 20,-2.1 20,-3.2 -22,-0.1 2,-0.4 -0.817 84.2 -53.2 137.3-179.4 10.9 -1.3 15.7 73 73 A V E - 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G 0 77B 3 -2,-1.5 -69,-0.6 -10,-0.2 2,-0.3 -0.937 34.4-175.3-144.8 164.4 7.8 -1.3 -0.8 88 88 A G E - G 0 76B 3 -12,-2.6 -12,-2.7 -2,-0.3 2,-0.4 -0.938 17.6-131.1-153.4 169.3 8.3 0.9 2.2 89 89 A V E -dG 22 75B 3 -68,-2.2 -66,-1.8 -2,-0.3 2,-0.5 -0.996 10.3-167.3-132.8 131.5 9.6 1.1 5.7 90 90 A V E -dG 23 74B 3 -16,-2.4 -16,-2.6 -2,-0.4 2,-0.5 -0.975 9.7-158.7-113.3 122.1 8.0 2.5 8.8 91 91 A Q E -dG 24 73B 15 -68,-3.0 -66,-2.9 -2,-0.5 2,-0.7 -0.909 4.2-157.3-100.8 127.7 10.2 3.0 11.9 92 92 A V E -dG 25 72B 0 -20,-3.2 -20,-2.1 -2,-0.5 -66,-0.2 -0.911 57.5 -25.4-109.9 109.2 8.3 3.1 15.2 93 93 A G S S- 0 0 12 -68,-3.3 2,-0.2 -2,-0.7 -68,-0.1 -0.168 90.8 -53.6 84.5-179.7 10.3 4.9 17.9 94 94 A D S S+ 0 0 148 1,-0.2 3,-0.2 -70,-0.1 -2,-0.1 -0.509 109.2 20.2 -89.3 162.1 14.0 5.4 18.3 95 95 A A S S- 0 0 92 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.917 81.1-142.6 49.1 61.2 16.8 2.7 18.4 96 96 A P > - 0 0 21 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 -0.375 4.7-150.3 -60.9 127.8 14.9 -0.0 16.6 97 97 A A T 3 S+ 0 0 110 1,-0.3 4,-0.1 -3,-0.2 3,-0.1 0.421 91.3 51.1 -79.9 -2.7 15.8 -3.4 18.2 98 98 A N T 3> S+ 0 0 16 1,-0.1 4,-2.4 2,-0.1 -1,-0.3 0.163 71.3 115.7-120.6 22.5 15.3 -5.3 14.9 99 99 A L H <> S+ 0 0 23 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.908 79.1 44.1 -62.7 -49.4 17.3 -3.3 12.4 100 100 A E H > S+ 0 0 135 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 112.1 55.4 -70.3 -31.9 19.9 -5.8 11.5 101 101 A A H > S+ 0 0 67 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.951 112.8 41.8 -56.9 -50.0 17.1 -8.5 11.3 102 102 A V H >< S+ 0 0 1 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.876 110.4 57.0 -67.4 -35.8 15.3 -6.3 8.8 103 103 A K H 3< S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.832 110.1 46.8 -66.0 -27.0 18.5 -5.4 6.9 104 104 A G H 3< S+ 0 0 35 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.538 82.6 115.0 -92.4 -11.4 19.1 -9.1 6.4 105 105 A A << - 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