==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-MAY-10 3N2T . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLUCONOBACTER OXYDANS; . AUTHOR N.RICHTER,K.BREICHA,W.HUMMEL,K.NIEFIND . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.1 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 . 1 0.3 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.4 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 1 0 2 0 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 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 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 M > 0 0 212 0, 0.0 2,-1.9 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -39.0 -12.2 3.2 17.7 2 2 A A T 3 + 0 0 62 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.489 360.0 99.2 -84.4 70.7 -8.8 4.4 16.5 3 3 A S T 3 S+ 0 0 55 -2,-1.9 -1,-0.2 3,-0.0 296,-0.1 0.389 85.1 43.9-126.0 -11.8 -6.7 3.7 19.6 4 4 A D S < S+ 0 0 50 -3,-0.7 13,-2.3 293,-0.1 14,-0.3 0.471 116.5 44.2-112.2 -9.5 -5.3 0.4 18.3 5 5 A T E -A 16 0A 58 11,-0.3 2,-0.3 -4,-0.2 11,-0.2 -0.904 56.3-175.7-134.3 163.2 -4.4 1.6 14.8 6 6 A I E -A 15 0A 33 9,-1.9 9,-2.9 -2,-0.3 2,-0.3 -0.977 26.4-116.7-155.7 145.8 -2.9 4.7 13.1 7 7 A R - 0 0 167 -2,-0.3 5,-0.1 7,-0.2 6,-0.1 -0.700 15.9-150.6 -89.2 139.2 -2.4 5.7 9.5 8 8 A I > - 0 0 1 5,-0.4 3,-2.4 3,-0.3 170,-0.1 -0.943 33.4-109.3-103.8 119.9 1.1 6.2 8.0 9 9 A P T 3 S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 195,-0.1 -0.258 105.0 24.7 -48.3 127.6 1.0 8.8 5.2 10 10 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 146,-0.1 167,-0.0 0.315 103.5 92.2 100.4 -7.7 1.6 7.0 1.9 11 11 A I < - 0 0 9 -3,-2.4 -3,-0.3 1,-0.1 -1,-0.2 -0.989 64.7-149.8-120.0 127.1 0.2 3.6 3.0 12 12 A D S S+ 0 0 145 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.1 0.940 73.4 62.1 -63.8 -55.0 -3.5 2.9 2.5 13 13 A T S S- 0 0 74 1,-0.1 -5,-0.4 -6,-0.1 -7,-0.1 -0.504 89.6-108.7 -80.3 141.6 -4.4 0.5 5.3 14 14 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.368 34.4-131.4 -61.9 146.3 -4.1 1.6 9.0 15 15 A L E -A 6 0A 0 -9,-2.9 -9,-1.9 -4,-0.1 35,-0.1 -0.787 20.3-105.6-101.0 144.6 -1.2 -0.0 10.9 16 16 A S E -A 5 0A 5 -2,-0.3 -11,-0.3 -11,-0.2 34,-0.1 -0.382 29.1-124.7 -59.5 144.8 -1.5 -1.7 14.3 17 17 A R S S+ 0 0 23 -13,-2.3 263,-2.5 262,-0.1 2,-0.4 0.398 98.9 64.5 -83.5 4.9 0.0 0.5 17.0 18 18 A V E S-b 280 0B 0 -14,-0.3 34,-0.4 261,-0.2 2,-0.3 -0.995 73.1-169.3-115.5 133.5 2.3 -2.3 18.0 19 19 A A E -b 281 0B 0 261,-2.6 263,-3.3 -2,-0.4 2,-0.5 -0.924 26.6-110.7-117.8 149.0 4.8 -3.4 15.3 20 20 A L E -bc 282 53B 0 32,-2.3 34,-3.3 -2,-0.3 2,-0.3 -0.667 27.5-152.8 -78.9 123.7 7.0 -6.5 15.3 21 21 A G E -bc 283 54B 0 261,-2.5 263,-0.6 -2,-0.5 3,-0.2 -0.775 4.2-161.7 -90.2 145.1 10.6 -5.6 15.8 22 22 A T > + 0 0 0 32,-1.1 3,-1.7 -2,-0.3 34,-0.1 0.140 54.0 113.1-120.5 21.2 13.0 -8.2 14.2 23 23 A W T 3 S+ 0 0 106 1,-0.3 -1,-0.1 31,-0.1 37,-0.1 0.709 88.0 45.5 -64.3 -20.1 16.4 -7.7 15.7 24 24 A A T 3 S+ 0 0 39 260,-0.2 2,-0.6 -3,-0.2 -1,-0.3 0.238 97.6 85.7-104.3 10.9 16.1 -11.1 17.4 25 25 A I S < S- 0 0 1 -3,-1.7 43,-0.2 1,-0.2 42,-0.1 -0.933 119.9 -17.8-114.4 110.4 14.8 -12.8 14.2 26 26 A G S S+ 0 0 12 -2,-0.6 38,-0.7 8,-0.1 -1,-0.2 0.843 91.0 148.1 59.5 32.3 17.7 -13.9 12.1 27 27 A G + 0 0 28 36,-0.2 33,-0.8 37,-0.1 2,-0.4 0.668 54.1 71.5 -72.1 -18.6 19.8 -11.5 14.1 28 28 A W S S- 0 0 185 31,-0.2 31,-0.0 2,-0.1 -4,-0.0 -0.798 86.2-134.0 -93.8 145.6 22.7 -13.9 13.6 29 29 A M S S+ 0 0 30 -2,-0.4 2,-0.5 34,-0.1 -1,-0.1 0.696 88.1 68.0 -79.3 -18.3 24.1 -13.9 10.1 30 30 A W S S- 0 0 167 1,-0.1 -2,-0.1 33,-0.0 -4,-0.1 -0.877 73.3-158.9-102.1 134.2 24.3 -17.7 9.8 31 31 A G + 0 0 49 -2,-0.5 3,-0.1 3,-0.0 -1,-0.1 0.186 23.6 142.8 -92.7-149.2 21.0 -19.5 9.7 32 32 A G S > S- 0 0 38 1,-0.1 3,-2.3 0, 0.0 4,-0.3 -0.900 72.6 -36.1 138.8-171.5 19.9 -23.1 10.4 33 33 A P T > S+ 0 0 111 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.802 123.6 73.6 -54.5 -31.1 17.0 -24.9 11.9 34 34 A D T >> S+ 0 0 86 1,-0.3 4,-0.9 2,-0.2 3,-0.6 0.652 78.8 75.3 -60.3 -16.7 16.6 -22.0 14.4 35 35 A D H <> S+ 0 0 26 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.803 82.1 69.6 -62.9 -27.9 15.2 -19.9 11.6 36 36 A D H <> S+ 0 0 74 -3,-2.3 4,-2.5 -4,-0.3 -1,-0.2 0.860 95.0 52.1 -59.2 -40.1 12.0 -21.9 12.0 37 37 A N H <> S+ 0 0 47 -3,-0.6 4,-2.1 -4,-0.4 -1,-0.2 0.864 107.2 53.3 -63.3 -38.7 11.3 -20.2 15.4 38 38 A G H X S+ 0 0 4 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.949 110.1 46.7 -62.3 -49.3 11.8 -16.8 13.7 39 39 A V H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 112.6 49.6 -54.3 -49.7 9.2 -17.7 11.1 40 40 A R H X S+ 0 0 118 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.826 108.9 54.4 -63.0 -30.5 6.8 -19.0 13.7 41 41 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.918 108.0 47.2 -68.1 -44.4 7.3 -15.8 15.7 42 42 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.921 112.0 51.8 -60.4 -42.7 6.4 -13.6 12.7 43 43 A H H X S+ 0 0 33 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.907 109.4 49.3 -62.7 -41.8 3.3 -15.9 12.1 44 44 A A H X S+ 0 0 26 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.913 109.5 52.4 -62.8 -45.1 2.3 -15.5 15.7 45 45 A A H ><>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 3,-1.6 0.959 107.2 52.2 -53.0 -52.6 2.7 -11.7 15.5 46 46 A L H ><5S+ 0 0 26 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.848 106.1 54.5 -54.3 -36.1 0.4 -11.6 12.4 47 47 A D H 3<5S+ 0 0 113 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.670 100.1 60.5 -76.2 -16.7 -2.3 -13.6 14.3 48 48 A E T <<5S- 0 0 55 -3,-1.6 -1,-0.3 -4,-0.9 -2,-0.2 0.307 126.0-100.8 -86.7 7.0 -2.2 -11.0 17.1 49 49 A G T < 5S+ 0 0 48 -3,-1.3 2,-0.5 1,-0.3 -3,-0.2 0.657 73.9 147.0 81.4 14.4 -3.3 -8.4 14.5 50 50 A I < + 0 0 3 -5,-1.7 -1,-0.3 1,-0.1 -31,-0.1 -0.747 15.6 170.2 -78.5 126.0 0.2 -6.9 14.0 51 51 A N + 0 0 27 -2,-0.5 29,-2.3 -33,-0.3 2,-0.5 0.164 54.6 77.2-122.8 15.9 0.4 -5.8 10.3 52 52 A L E - d 0 80B 0 -34,-0.4 -32,-2.3 27,-0.2 2,-0.5 -0.989 55.8-173.6-125.7 123.6 3.7 -3.8 10.5 53 53 A I E -cd 20 81B 0 27,-2.7 29,-3.2 -2,-0.5 2,-0.5 -0.972 9.2-157.4-113.6 123.8 7.0 -5.6 10.7 54 54 A D E +cd 21 82B 0 -34,-3.3 -32,-1.1 -2,-0.5 2,-0.2 -0.893 27.1 149.8-102.4 129.2 10.1 -3.5 11.2 55 55 A T - 0 0 0 27,-2.4 3,-0.1 -2,-0.5 -32,-0.1 -0.766 26.5-147.4-141.4-172.8 13.4 -5.0 10.1 56 56 A A > - 0 0 0 -2,-0.2 3,-1.1 27,-0.2 9,-0.4 -0.944 26.2-124.5-164.0 140.6 16.8 -3.9 8.7 57 57 A P T 3 >S+ 0 0 2 0, 0.0 5,-2.2 0, 0.0 6,-0.2 0.893 110.4 62.1 -49.5 -41.4 19.6 -5.1 6.4 58 58 A V T > 5S+ 0 0 25 3,-0.2 3,-1.7 2,-0.1 2,-0.8 0.787 77.6 96.8 -64.4 -25.8 22.0 -4.9 9.2 59 59 A Y G X >S- 0 0 36 -3,-1.1 5,-2.1 1,-0.3 3,-0.5 -0.506 118.5 -17.3 -65.4 106.5 20.2 -7.5 11.4 60 60 A G G > 5S- 0 0 3 -33,-0.8 3,-1.1 -2,-0.8 -1,-0.3 0.693 113.7 -84.3 65.6 16.9 22.2 -10.6 10.6 61 61 A F G < 5S- 0 0 33 -3,-1.7 -3,-0.2 1,-0.3 -1,-0.2 0.930 105.9 -20.6 53.4 54.4 23.5 -8.7 7.6 62 62 A G G <>5S+ 0 0 11 -3,-1.1 4,-2.3 -6,-0.2 -3,-0.2 0.924 77.5 50.3 -69.0 -47.0 19.4 -12.6 7.4 64 64 A S H > S+ 0 0 0 -6,-0.4 4,-3.0 -9,-0.4 -1,-0.2 0.902 109.1 53.7 -55.4 -42.5 15.1 -9.6 6.0 66 66 A E H X S+ 0 0 92 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.907 109.1 48.0 -58.8 -43.2 15.4 -13.0 4.4 67 67 A I H X S+ 0 0 3 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.911 111.8 49.2 -65.2 -43.8 13.4 -14.6 7.3 68 68 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.940 112.2 48.6 -58.4 -49.5 10.7 -12.0 7.0 69 69 A G H X S+ 0 0 1 -4,-3.0 4,-0.9 49,-0.3 -2,-0.2 0.907 114.5 46.9 -55.6 -42.1 10.5 -12.5 3.3 70 70 A R H >X S+ 0 0 68 -4,-2.4 4,-1.2 -5,-0.2 3,-0.9 0.967 112.6 47.7 -64.6 -53.6 10.3 -16.3 3.9 71 71 A A H 3X S+ 0 0 0 -4,-3.3 4,-1.0 1,-0.3 3,-0.4 0.876 111.0 51.1 -56.5 -42.4 7.7 -16.0 6.7 72 72 A L H 3< S+ 0 0 28 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.719 108.0 53.2 -71.8 -19.7 5.5 -13.7 4.6 73 73 A A H << S+ 0 0 68 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.726 108.2 50.8 -84.9 -23.3 5.6 -16.0 1.6 74 74 A E H < S+ 0 0 108 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.689 109.6 48.1 -86.5 -23.6 4.4 -19.0 3.7 75 75 A K S < S- 0 0 51 -4,-1.0 -1,-0.1 0, 0.0 0, 0.0 -0.976 87.3-114.9-127.2 124.3 1.4 -17.5 5.3 76 76 A P + 0 0 126 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.329 57.1 151.1 -54.5 136.3 -1.4 -15.6 3.6 77 77 A N - 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