==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-MAY-08 3DAS . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR S.M.SOUTHALL,J.J.DOEL,A.OUBRIE,D.J.RICHARDSON . 334 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 35.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 27 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 3 6 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 5 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 14 A A 0 0 138 0, 0.0 277,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -50.0 1.9 29.1 73.6 2 15 A P - 0 0 21 0, 0.0 258,-0.1 0, 0.0 4,-0.1 -0.418 360.0-100.1 -70.2 151.1 2.5 26.1 71.3 3 16 A P - 0 0 60 0, 0.0 280,-0.1 0, 0.0 281,-0.1 -0.306 23.7-123.1 -63.7 152.4 -0.3 23.5 71.2 4 17 A A S S+ 0 0 54 1,-0.1 2,-0.5 279,-0.1 280,-0.1 0.905 102.0 53.0 -61.1 -40.8 0.3 20.4 73.3 5 18 A K S S- 0 0 157 279,-0.0 2,-0.1 281,-0.0 -1,-0.1 -0.850 78.1-169.2-101.9 126.1 -0.2 18.3 70.2 6 19 A G - 0 0 16 -2,-0.5 2,-0.3 268,-0.1 -2,-0.0 -0.369 8.1-148.7-103.9-176.2 1.9 19.1 67.1 7 20 A S - 0 0 47 327,-1.5 327,-2.2 -2,-0.1 2,-0.4 -0.987 2.8-157.2-151.4 155.5 2.0 18.2 63.5 8 21 A V E -A 333 0A 26 -2,-0.3 2,-0.5 325,-0.2 325,-0.2 -0.982 7.8-172.8-137.8 122.9 4.6 17.8 60.7 9 22 A K E -A 332 0A 122 323,-2.6 323,-2.4 -2,-0.4 2,-0.9 -0.974 20.1-141.0-115.0 127.0 3.9 18.0 57.0 10 23 A V E -A 331 0A 42 -2,-0.5 321,-0.2 321,-0.2 3,-0.1 -0.772 20.5-176.9 -85.7 105.6 6.6 17.1 54.4 11 24 A L E - 0 0 62 319,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.907 57.2 -37.1 -71.7 -42.8 6.0 19.8 51.8 12 25 A R E -A 330 0A 84 318,-1.1 318,-2.6 0, 0.0 2,-0.5 -0.978 55.2 -96.5-169.6 163.2 8.6 18.5 49.3 13 26 A T E -A 329 0A 62 -2,-0.3 316,-0.3 316,-0.2 3,-0.1 -0.888 33.3-171.0 -91.1 128.8 12.1 17.1 48.8 14 27 A V E - 0 0 7 314,-3.1 2,-0.3 -2,-0.5 315,-0.2 0.831 62.4 -0.2 -91.4 -40.3 14.4 20.0 48.2 15 28 A A E -A 328 0A 5 313,-1.3 313,-1.8 30,-0.1 -1,-0.3 -0.987 59.2-164.8-151.9 154.9 17.6 18.1 47.1 16 29 A T + 0 0 69 -2,-0.3 309,-0.2 34,-0.3 311,-0.2 -0.835 60.4 47.4-132.8 170.1 18.9 14.6 46.7 17 30 A G + 0 0 40 307,-2.7 2,-0.3 -2,-0.3 309,-0.2 0.699 64.9 157.3 73.4 24.3 22.3 12.8 46.3 18 31 A L - 0 0 11 308,-2.6 2,-0.5 306,-0.4 -1,-0.2 -0.610 36.0-135.4 -82.0 140.4 24.1 14.4 49.2 19 32 A N S S- 0 0 55 -2,-0.3 20,-0.2 1,-0.2 18,-0.1 -0.873 73.4 -30.7 -99.1 127.6 27.1 12.6 50.7 20 33 A S S S- 0 0 2 -2,-0.5 17,-2.9 16,-0.2 -1,-0.2 0.795 79.9-161.6 34.7 53.5 27.4 12.6 54.6 21 34 A P E +D 36 0B 1 0, 0.0 15,-0.2 0, 0.0 -1,-0.1 -0.329 27.1 149.8 -66.8 143.4 25.6 15.9 54.9 22 35 A W E + 0 0 3 13,-2.2 2,-0.2 1,-0.5 49,-0.1 0.515 47.3 48.4-138.4 -75.8 26.2 17.5 58.3 23 36 A G E - 0 0 1 47,-0.8 12,-2.3 46,-0.2 -1,-0.5 -0.551 60.0-166.5 -81.1 144.9 26.3 21.3 58.7 24 37 A L E -D 34 0B 16 48,-0.4 10,-0.2 10,-0.2 48,-0.1 -0.990 7.8-176.5-135.8 124.1 23.5 23.3 57.2 25 38 A A E -D 33 0B 4 8,-2.8 8,-2.1 -2,-0.4 2,-0.2 -0.913 19.3-144.0-123.5 100.2 23.6 27.1 56.8 26 39 A P E -D 32 0B 51 0, 0.0 6,-0.2 0, 0.0 48,-0.1 -0.496 21.2-137.1 -62.3 127.7 20.4 28.8 55.5 27 40 A L > - 0 0 13 4,-3.0 3,-2.0 -2,-0.2 52,-0.0 -0.547 18.2-112.3 -86.7 151.7 21.4 31.7 53.2 28 41 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.849 115.0 54.4 -50.3 -40.0 19.6 35.1 53.3 29 42 A G T 3 S- 0 0 75 1,-0.1 3,-0.1 0, 0.0 -2,-0.0 0.402 125.7 -94.9 -80.0 3.0 18.2 34.6 49.8 30 43 A G S < S+ 0 0 32 -3,-2.0 -1,-0.1 1,-0.3 2,-0.0 0.207 87.9 117.2 106.9 -15.4 16.5 31.3 50.6 31 44 A D - 0 0 24 15,-0.1 -4,-3.0 -5,-0.1 2,-0.4 -0.185 55.5-127.2 -78.7 175.5 19.3 28.9 49.4 32 45 A L E -DE 26 45B 0 13,-2.1 13,-3.1 -6,-0.2 2,-0.4 -0.974 7.4-152.4-128.1 139.5 21.2 26.5 51.6 33 46 A L E -DE 25 44B 0 -8,-2.1 -8,-2.8 -2,-0.4 2,-0.4 -0.936 22.5-174.3-101.2 137.2 24.9 25.7 52.2 34 47 A V E -DE 24 43B 3 9,-2.6 9,-2.6 -2,-0.4 2,-0.3 -0.996 13.5-144.5-133.6 133.2 25.5 22.1 53.3 35 48 A S E - E 0 42B 2 -12,-2.3 -13,-2.2 -2,-0.4 2,-0.5 -0.685 8.4-141.5 -93.4 151.1 28.8 20.5 54.5 36 49 A S E > -D 21 0B 5 5,-2.3 4,-1.4 -2,-0.3 33,-0.3 -0.973 6.2-155.4-106.9 123.6 29.8 16.9 53.7 37 50 A R T 4 S+ 0 0 11 -17,-2.9 32,-2.0 -2,-0.5 -1,-0.1 0.917 91.8 31.3 -62.7 -45.7 31.6 15.2 56.7 38 51 A D T 4 S+ 0 0 61 30,-0.2 -1,-0.2 1,-0.2 -18,-0.1 0.722 123.8 43.2 -93.5 -23.7 33.5 12.7 54.6 39 52 A E T 4 S- 0 0 104 -20,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.584 94.6-139.3 -95.3 -11.6 34.1 14.6 51.4 40 53 A A < + 0 0 4 -4,-1.4 18,-3.0 1,-0.2 2,-0.3 0.740 55.6 134.0 62.2 27.1 35.0 17.8 53.2 41 54 A T E - F 0 57B 10 -5,-0.3 -5,-2.3 16,-0.2 2,-0.4 -0.693 50.9-144.4-101.9 155.5 33.0 19.9 50.7 42 55 A I E -EF 35 56B 0 14,-1.9 13,-2.7 -2,-0.3 14,-1.1 -0.990 24.3-168.3-114.9 134.1 30.6 22.7 51.2 43 56 A T E -EF 34 54B 21 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.5 -0.962 16.6-138.2-126.0 136.2 27.7 22.7 48.6 44 57 A R E -EF 33 53B 38 9,-3.2 9,-2.5 -2,-0.4 2,-0.5 -0.821 17.1-155.9 -92.5 133.2 25.1 25.3 47.8 45 58 A V E -EF 32 52B 0 -13,-3.1 -13,-2.1 -2,-0.5 2,-0.6 -0.953 13.9-134.2-110.9 122.5 21.6 24.0 47.2 46 59 A D > - 0 0 40 5,-2.7 4,-2.5 -2,-0.5 5,-0.1 -0.672 13.9-148.5 -72.8 118.5 19.2 26.0 45.1 47 60 A A T 4 S+ 0 0 11 -2,-0.6 -1,-0.2 1,-0.2 -16,-0.1 0.852 91.8 45.6 -61.0 -36.0 16.0 26.0 47.0 48 61 A K T 4 S+ 0 0 191 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.937 129.9 16.5 -74.1 -49.5 13.8 26.2 43.9 49 62 A T T 4 S- 0 0 88 2,-0.1 -2,-0.2 -34,-0.0 -1,-0.1 0.683 90.5-123.8-101.2 -24.6 15.5 23.6 41.7 50 63 A G < + 0 0 14 -4,-2.5 -34,-0.3 1,-0.3 -3,-0.1 0.442 53.7 160.0 87.3 0.4 17.6 21.5 44.0 51 64 A R - 0 0 168 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.4 -0.340 30.0-143.0 -58.5 133.1 20.6 22.3 41.7 52 65 A K E -F 45 0B 93 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.850 16.3-170.9-108.7 134.5 23.9 21.8 43.6 53 66 A T E -F 44 0B 49 -9,-2.5 -9,-3.2 -2,-0.4 2,-0.6 -0.993 20.2-137.7-120.1 121.7 27.0 24.0 43.3 54 67 A E E -F 43 0B 86 -2,-0.5 54,-2.0 -11,-0.2 -11,-0.2 -0.699 12.8-168.7 -77.3 121.3 30.3 22.8 45.0 55 68 A L E - 0 0 0 -13,-2.7 55,-2.6 -2,-0.6 56,-0.5 0.914 53.8 -89.9 -71.5 -44.5 31.9 25.8 46.7 56 69 A G E -F 42 0B 2 -14,-1.1 -14,-1.9 53,-0.2 2,-0.4 -0.933 43.9 -61.9 156.8-178.1 35.1 23.8 47.2 57 70 A E E -F 41 0B 136 51,-0.4 -16,-0.2 -2,-0.3 -17,-0.1 -0.864 44.5-125.4-101.2 131.8 36.9 21.4 49.6 58 71 A V > - 0 0 1 -18,-3.0 3,-0.9 -2,-0.4 2,-0.1 -0.650 33.0-124.5 -75.7 122.2 37.8 22.7 53.1 59 72 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -19,-0.0 -0.396 84.8 26.3 -71.5 145.5 41.6 22.2 53.5 60 73 A G T 3 S+ 0 0 57 1,-0.3 31,-0.4 -2,-0.1 2,-0.2 0.396 77.9 144.7 92.3 -1.1 43.0 20.2 56.4 61 74 A V < - 0 0 24 -3,-0.9 -1,-0.3 29,-0.1 29,-0.2 -0.526 28.1-170.6 -75.6 133.6 40.0 18.0 57.1 62 75 A S - 0 0 47 27,-3.2 2,-0.1 -2,-0.2 5,-0.1 -0.773 10.9-159.5-124.4 84.5 40.8 14.5 58.2 63 76 A P + 0 0 50 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.409 26.4 145.5 -69.2 141.2 37.6 12.4 58.2 64 77 A S B > -G 67 0C 63 3,-1.7 3,-2.4 60,-0.1 60,-0.1 -0.784 65.1 -33.0-171.0 128.5 37.5 9.2 60.3 65 78 A G T 3 S- 0 0 45 1,-0.3 61,-0.2 -2,-0.2 60,-0.1 -0.361 131.7 -11.9 57.9-124.0 34.6 7.7 62.3 66 79 A E T 3 S+ 0 0 24 59,-2.9 -1,-0.3 -2,-0.1 2,-0.2 0.479 122.1 91.9 -85.9 -4.6 32.4 10.5 63.5 67 80 A G B < +G 64 0C 0 -3,-2.4 -3,-1.7 58,-0.3 2,-0.3 -0.581 46.8 84.5 -93.9 158.7 35.0 13.1 62.7 68 81 A G S S- 0 0 0 -5,-0.3 21,-2.4 -2,-0.2 2,-0.7 -0.979 89.6 -9.0 153.6-148.2 35.4 15.1 59.5 69 82 A L E S+H 88 0D 0 -32,-2.0 19,-0.2 -33,-0.3 -46,-0.2 -0.762 77.9 163.6 -83.0 116.9 33.8 18.4 58.2 70 83 A L E + 0 0 0 17,-2.6 -47,-0.8 -2,-0.7 -48,-0.2 0.432 36.9 11.2-109.7-122.1 31.1 19.1 60.7 71 84 A G E - 0 0 1 59,-1.9 16,-2.8 -49,-0.1 2,-0.3 -0.250 55.0-168.5 -64.6 144.8 29.0 22.1 61.6 72 85 A I E +H 86 0D 8 14,-0.2 -48,-0.4 60,-0.2 2,-0.3 -0.948 6.4 178.8-124.6 155.7 29.0 25.3 59.4 73 86 A A E -H 85 0D 10 12,-2.3 12,-3.2 -2,-0.3 2,-0.2 -0.967 26.9-118.4-155.8 138.7 27.5 28.7 60.3 74 87 A L E -H 84 0D 31 -2,-0.3 10,-0.2 10,-0.2 60,-0.2 -0.488 40.7-100.4 -72.7 144.9 27.3 32.1 58.6 75 88 A S > - 0 0 10 8,-2.7 3,-2.1 -2,-0.2 4,-0.2 -0.290 31.7-116.7 -51.4 146.4 28.9 35.1 60.2 76 89 A P T 3 S+ 0 0 37 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.816 122.4 41.7 -57.0 -25.0 26.4 37.2 62.0 77 90 A D T >> S+ 0 0 114 1,-0.2 4,-3.0 2,-0.1 3,-1.6 -0.038 78.4 131.4-109.8 29.0 27.3 39.9 59.5 78 91 A Y H <> + 0 0 25 -3,-2.1 4,-2.7 1,-0.3 -1,-0.2 0.835 60.2 67.1 -49.9 -42.7 27.4 37.4 56.6 79 92 A A H 34 S+ 0 0 75 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.841 119.8 22.1 -53.1 -33.6 25.3 39.6 54.3 80 93 A S H <4 S+ 0 0 110 -3,-1.6 -2,-0.2 3,-0.0 -1,-0.2 0.783 131.9 39.1-101.5 -34.7 28.2 42.1 54.2 81 94 A D H < S- 0 0 52 -4,-3.0 -3,-0.2 2,-0.1 -2,-0.2 0.624 82.8-147.1 -96.7 -14.6 31.3 40.1 55.2 82 95 A H < + 0 0 84 -4,-2.7 19,-3.0 -5,-0.3 2,-0.4 0.701 41.8 155.2 56.6 27.7 30.5 36.8 53.2 83 96 A X E - I 0 100D 51 17,-0.2 -8,-2.7 -6,-0.1 2,-0.5 -0.708 27.6-166.0 -92.8 132.0 32.2 34.7 55.9 84 97 A V E -HI 74 99D 0 15,-2.7 15,-2.3 -2,-0.4 2,-0.3 -0.970 9.0-151.4-116.1 127.2 31.4 31.1 56.5 85 98 A Y E -HI 73 98D 6 -12,-3.2 -12,-2.3 -2,-0.5 2,-0.4 -0.752 13.6-172.2 -97.9 145.9 32.6 29.4 59.7 86 99 A A E -HI 72 97D 0 11,-2.5 11,-2.6 -2,-0.3 2,-0.5 -1.000 16.5-152.1-141.4 138.2 33.3 25.6 59.8 87 100 A Y E + I 0 96D 0 -16,-2.8 -17,-2.6 -2,-0.4 2,-0.3 -0.922 32.4 162.5-104.3 129.9 34.1 23.1 62.6 88 101 A F E -HI 69 95D 6 7,-2.6 7,-2.5 -2,-0.5 2,-0.6 -0.996 43.2-110.0-149.6 159.3 36.2 20.1 61.5 89 102 A T E - I 0 94D 2 -21,-2.4 -27,-3.2 -2,-0.3 5,-0.3 -0.769 40.3-174.5 -85.2 120.8 38.4 17.3 62.6 90 103 A S - 0 0 7 3,-3.1 -29,-0.1 -2,-0.6 -30,-0.0 -0.323 45.8 -83.5 -99.9-171.8 42.0 17.9 61.6 91 104 A A S S+ 0 0 87 -31,-0.4 3,-0.1 1,-0.2 -30,-0.1 0.823 127.4 23.2 -61.1 -30.3 45.0 15.6 61.8 92 105 A S S S- 0 0 85 1,-0.1 31,-0.3 30,-0.0 2,-0.2 0.614 127.8 -23.2-115.2 -19.2 45.6 16.8 65.4 93 106 A D S S- 0 0 11 29,-0.1 -3,-3.1 -5,-0.1 2,-0.4 -0.872 71.0 -75.4-164.6-172.6 42.3 18.1 66.9 94 107 A N E +IJ 89 121D 0 27,-2.4 27,-1.8 -5,-0.3 2,-0.3 -0.916 56.8 170.2-103.6 147.1 38.9 19.5 66.2 95 108 A R E -I 88 0D 42 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.4 -0.948 31.0-124.7-152.0 166.9 39.0 23.2 65.2 96 109 A I E +IJ 87 118D 0 22,-3.0 21,-2.2 -2,-0.3 22,-1.9 -0.979 28.2 173.1-123.8 132.3 37.1 26.1 63.8 97 110 A V E -IJ 86 116D 1 -11,-2.6 -11,-2.5 -2,-0.4 2,-0.4 -0.835 20.0-141.2-126.1 166.1 38.0 28.2 60.8 98 111 A R E -IJ 85 115D 55 17,-2.2 17,-2.9 -2,-0.3 2,-0.3 -0.988 16.6-171.2-129.4 145.9 36.4 30.9 58.7 99 112 A X E -I 84 0D 1 -15,-2.3 -15,-2.7 -2,-0.4 2,-0.5 -0.986 27.5-116.5-135.9 142.3 36.5 31.3 54.9 100 113 A L E -I 83 0D 84 -2,-0.3 12,-2.8 13,-0.3 2,-0.5 -0.700 30.6-150.9 -76.8 121.6 35.5 34.0 52.5 101 114 A Y B -K 111 0E 6 -19,-3.0 2,-0.5 -2,-0.5 10,-0.2 -0.852 16.1-179.6 -98.0 124.2 32.7 32.7 50.2 102 115 A D > - 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