==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-OCT-08 3EY7 . COMPND 2 MOLECULE: BIPHENYL-2,3-DIOL 1,2-DIOXYGENASE III-RELATED . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR S.J.HARROP,C.N.DESHPANDE,V.SURESHAN,Y.BOUCHER,X.XU,H.CUI, . 260 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 25.4 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 4 4 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 0 0 0 0 2 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 0 A G 0 0 129 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-166.2 3.4 10.5 33.3 2 1 A X + 0 0 173 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.991 360.0 6.1-140.9 141.8 0.3 11.6 35.3 3 2 A E S S- 0 0 169 -2,-0.3 -1,-0.1 1,-0.2 2,-0.0 0.832 72.3-166.3 54.6 43.0 -0.0 13.8 38.4 4 3 A F - 0 0 69 1,-0.1 2,-0.7 -3,-0.1 -1,-0.2 -0.354 14.8-134.9 -55.7 133.4 3.6 14.8 38.8 5 4 A L - 0 0 128 2,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.862 12.6-145.4 -95.6 112.5 4.2 16.3 42.3 6 5 A X + 0 0 7 -2,-0.7 2,-0.3 154,-0.2 156,-0.1 -0.604 27.3 174.7 -74.3 134.4 6.3 19.4 42.0 7 6 A K - 0 0 136 -2,-0.3 205,-0.5 171,-0.0 204,-0.4 -0.977 23.3-152.5-149.0 130.0 8.6 19.7 45.1 8 7 A I - 0 0 9 154,-0.4 171,-0.5 -2,-0.3 202,-0.2 -0.871 2.0-165.5-102.1 134.8 11.3 22.0 46.1 9 8 A S - 0 0 37 200,-3.0 171,-0.4 -2,-0.4 2,-0.3 0.939 60.2 -43.9 -79.7 -55.1 14.1 20.8 48.5 10 9 A H E -A 209 0A 38 199,-1.0 199,-2.7 169,-0.1 2,-0.7 -0.976 58.3 -82.4-166.0 171.3 15.7 24.1 49.6 11 10 A L E -A 208 0A 8 -2,-0.3 197,-0.3 197,-0.2 130,-0.2 -0.826 34.9-174.3 -88.1 116.1 17.0 27.5 48.6 12 11 A D E - 0 0 0 195,-2.3 40,-1.4 -2,-0.7 2,-0.3 0.885 62.3 -26.0 -77.0 -44.0 20.5 27.1 47.2 13 12 A H E -Ab 207 52A 9 194,-1.3 194,-2.5 38,-0.2 2,-0.3 -0.979 50.0-151.7-161.0 166.2 21.3 30.8 46.8 14 13 A L E -Ab 206 53A 9 38,-0.8 40,-2.5 -2,-0.3 2,-0.5 -0.948 23.8-119.9-140.8 162.0 19.9 34.3 46.3 15 14 A V E - b 0 54A 16 190,-1.9 2,-0.6 -2,-0.3 190,-0.3 -0.926 20.4-162.6-108.4 126.5 21.3 37.4 44.7 16 15 A L E - b 0 55A 6 38,-2.9 40,-2.0 -2,-0.5 2,-0.5 -0.931 10.1-147.7-110.3 117.4 21.7 40.6 46.8 17 16 A T E - b 0 56A 11 -2,-0.6 55,-0.4 53,-0.3 2,-0.3 -0.743 28.0-174.8 -85.4 122.2 22.1 43.9 44.8 18 17 A V E - b 0 57A 0 38,-2.8 40,-2.8 -2,-0.5 3,-0.2 -0.843 37.8-126.5-124.4 157.5 24.3 46.2 46.9 19 18 A A S S+ 0 0 51 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.859 101.7 10.5 -66.7 -38.0 25.6 49.7 46.8 20 19 A D > - 0 0 68 1,-0.1 4,-2.3 36,-0.1 -1,-0.3 -0.868 61.4-156.8-151.7 110.9 29.2 48.6 47.2 21 20 A I H > S+ 0 0 36 -2,-0.3 4,-3.1 -3,-0.2 5,-0.3 0.908 95.1 51.5 -57.7 -47.6 30.5 45.1 46.9 22 21 A P H > S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.896 111.4 48.8 -58.6 -40.2 33.7 45.6 49.0 23 22 A T H > S+ 0 0 71 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.908 114.3 45.6 -61.6 -46.2 31.7 47.2 51.8 24 23 A T H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.921 112.8 49.7 -64.4 -45.1 29.2 44.4 51.8 25 24 A T H X S+ 0 0 23 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.944 112.2 47.3 -62.6 -47.2 31.8 41.6 51.7 26 25 A N H X S+ 0 0 69 -4,-2.3 4,-2.4 -5,-0.3 5,-0.3 0.927 112.5 51.2 -57.5 -44.2 33.8 43.1 54.5 27 26 A F H X>S+ 0 0 27 -4,-2.1 4,-3.0 1,-0.2 5,-0.5 0.945 112.3 43.4 -60.8 -50.0 30.7 43.5 56.6 28 27 A Y H X5S+ 0 0 0 -4,-2.6 6,-2.0 3,-0.2 4,-1.1 0.835 114.0 51.4 -70.3 -30.6 29.4 39.9 56.2 29 28 A E H X5S+ 0 0 76 -4,-2.2 4,-1.1 4,-0.2 -2,-0.2 0.977 120.6 32.8 -64.3 -56.6 32.9 38.4 56.7 30 29 A K H <5S+ 0 0 113 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.925 127.8 36.9 -68.9 -47.1 33.5 40.3 60.0 31 30 A V H <5S+ 0 0 5 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.1 0.905 133.6 21.1 -77.3 -41.7 30.0 40.5 61.3 32 31 A L H < -C 43 0A 37 4,-2.0 4,-2.4 -2,-0.5 197,-0.0 -0.978 44.0 -8.5-145.1 157.7 33.9 32.4 41.1 40 39 A G T 4 S- 0 0 67 -2,-0.3 2,-1.8 1,-0.2 -2,-0.0 -0.227 124.5 -4.9 57.9-141.8 33.4 32.6 37.4 41 40 A A T 4 S- 0 0 91 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 -0.544 128.6 -55.1 -87.8 73.8 34.3 35.8 35.7 42 41 A G T 4 S+ 0 0 63 -2,-1.8 -1,-0.2 1,-0.2 2,-0.2 0.816 92.0 155.9 59.9 34.0 35.3 37.8 38.7 43 42 A R E < -C 39 0A 85 -4,-2.4 -4,-2.0 13,-0.0 2,-0.4 -0.574 31.3-141.1 -85.8 156.5 32.0 37.3 40.5 44 43 A I E +CD 38 55A 45 11,-0.5 11,-2.5 -6,-0.2 2,-0.3 -0.954 22.1 169.9-123.2 136.2 31.7 37.5 44.3 45 44 A A E -CD 37 54A 0 -8,-2.1 -8,-2.6 -2,-0.4 2,-0.5 -0.942 27.3-133.0-135.3 163.2 29.7 35.4 46.7 46 45 A L E -CD 36 53A 0 7,-2.8 7,-2.3 -2,-0.3 2,-0.4 -0.980 23.5-149.2-116.9 122.6 29.4 35.0 50.5 47 46 A E E +CD 35 52A 71 -12,-2.7 -12,-1.8 -2,-0.5 2,-0.4 -0.740 20.1 171.1 -95.1 136.9 29.4 31.4 51.7 48 47 A F E > - D 0 51A 10 3,-1.9 3,-2.3 -2,-0.4 91,-0.1 -0.983 66.1 -40.8-139.0 129.3 27.6 30.3 54.9 49 48 A G T 3 S- 0 0 34 89,-0.7 91,-0.1 -2,-0.4 90,-0.1 -0.297 121.4 -30.1 51.1-125.8 27.2 26.6 55.7 50 49 A H T 3 S+ 0 0 128 89,-0.5 -1,-0.3 -3,-0.1 2,-0.2 0.279 128.3 62.7-107.5 11.1 26.4 24.9 52.4 51 50 A Q E < - D 0 48A 29 -3,-2.3 -3,-1.9 187,-0.1 2,-0.3 -0.548 64.7-156.7-120.8-172.8 24.6 27.8 50.7 52 51 A K E -bD 13 47A 8 -40,-1.4 -38,-0.8 -5,-0.2 2,-0.5 -0.988 19.5-123.9-159.9 166.3 25.6 31.2 49.6 53 52 A I E -bD 14 46A 0 -7,-2.3 -7,-2.8 -2,-0.3 2,-0.3 -0.993 25.3-147.8-116.2 123.0 24.6 34.8 48.7 54 53 A N E -bD 15 45A 16 -40,-2.5 -38,-2.9 -2,-0.5 2,-0.5 -0.698 15.6-141.6 -83.7 141.1 25.7 36.1 45.3 55 54 A L E -bD 16 44A 5 -11,-2.5 -11,-0.5 -2,-0.3 2,-0.4 -0.901 16.3-173.4-108.6 134.0 26.5 39.8 45.1 56 55 A H E -b 17 0A 14 -40,-2.0 -38,-2.8 -2,-0.5 2,-0.5 -0.980 24.4-128.6-117.6 138.1 25.6 42.1 42.3 57 56 A Q E > -b 18 0A 45 3,-0.5 3,-2.9 -2,-0.4 -38,-0.2 -0.726 31.1-109.1 -85.0 127.0 26.9 45.7 42.3 58 57 A L T 3 S+ 0 0 81 -40,-2.8 -37,-0.1 -2,-0.5 -1,-0.1 -0.344 108.5 20.5 -54.2 127.5 24.1 48.3 41.7 59 58 A G T 3 S+ 0 0 68 -2,-0.0 -1,-0.3 -3,-0.0 -40,-0.0 0.294 123.3 60.7 93.0 -8.2 24.7 49.7 38.2 60 59 A N S < S+ 0 0 105 -3,-2.9 -3,-0.5 2,-0.0 -2,-0.2 -0.185 73.3 149.5-140.0 41.6 26.8 46.7 37.2 61 60 A E - 0 0 44 -5,-0.2 2,-0.3 1,-0.1 4,-0.1 -0.261 42.8-117.9 -79.0 164.5 24.3 43.8 37.5 62 61 A F - 0 0 70 2,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 -0.782 42.2 -82.0-103.0 150.0 24.3 40.6 35.5 63 62 A E S S+ 0 0 134 -2,-0.3 2,-0.1 2,-0.1 3,-0.0 -0.787 103.1 32.3-106.5 143.8 21.4 39.5 33.2 64 63 A P S S+ 0 0 33 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.663 84.9 144.9 -77.2 163.2 18.8 38.1 33.8 65 64 A K - 0 0 39 1,-0.2 139,-0.1 -2,-0.1 -2,-0.1 -0.765 55.1 -44.7-145.7-176.8 18.2 39.5 37.3 66 65 A A > - 0 0 2 -2,-0.2 3,-0.7 137,-0.2 187,-0.2 -0.246 52.5-123.3 -54.1 146.7 15.2 40.6 39.4 67 66 A Q T 3 S+ 0 0 111 185,-1.6 2,-0.4 135,-0.4 136,-0.2 0.931 107.1 27.9 -59.5 -43.0 12.7 42.8 37.6 68 67 A N T 3 S- 0 0 33 134,-2.7 -1,-0.3 136,-0.1 -2,-0.1 -0.688 82.2-165.4-121.9 73.6 13.1 45.6 40.1 69 68 A V < + 0 0 33 -3,-0.7 2,-0.3 -2,-0.4 135,-0.1 -0.310 16.2 172.6 -57.9 143.4 16.6 45.4 41.6 70 69 A R > - 0 0 101 133,-0.4 3,-1.0 130,-0.1 -53,-0.3 -0.924 31.7-125.9-160.3 126.0 16.9 47.5 44.8 71 70 A V T 3 S+ 0 0 22 -2,-0.3 -53,-0.2 1,-0.2 -55,-0.0 -0.480 97.3 19.8 -70.7 145.3 19.5 48.0 47.5 72 71 A G T 3 S+ 0 0 0 -55,-0.4 126,-3.0 -2,-0.1 125,-0.3 0.705 88.6 117.1 73.2 20.9 18.3 47.4 51.0 73 72 A S < + 0 0 17 -3,-1.0 127,-0.4 -56,-0.3 2,-0.2 0.359 48.2 96.5-102.5 1.5 15.2 45.4 49.9 74 73 A A - 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