==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-JUN-05 2CW5 . COMPND 2 MOLECULE: BACTERIAL FLUORINATING ENZYME HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR A.EBIHARA,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL . 697 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 18.2 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 65 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 6 0 1 0 0 3 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 4 2 3 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 . 2 6 9 6 6 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 . 0 0 3 1 2 3 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 X 0 0 105 0, 0.0 128,-0.2 0, 0.0 127,-0.1 0.000 360.0 360.0 360.0 126.2 11.4 -16.0 22.6 2 2 A R - 0 0 109 126,-1.6 61,-0.1 30,-0.0 60,-0.1 -0.968 360.0-107.6-133.4 148.2 14.3 -13.6 22.1 3 3 A P - 0 0 19 0, 0.0 61,-2.6 0, 0.0 2,-0.5 -0.353 28.5-132.2 -72.9 157.1 15.1 -10.2 23.6 4 4 A V E -ab 33 64A 0 28,-3.1 30,-3.0 59,-0.2 2,-0.6 -0.952 12.2-161.6-114.9 127.2 14.7 -7.0 21.5 5 5 A Y E -ab 34 65A 6 59,-2.7 61,-2.6 -2,-0.5 2,-0.5 -0.954 16.7-155.3-109.5 121.6 17.4 -4.4 21.5 6 6 A F E +ab 35 66A 0 28,-2.8 30,-3.1 -2,-0.6 31,-1.0 -0.870 17.0 172.8-111.1 123.7 16.1 -1.0 20.2 7 7 A L E +ab 37 67A 0 59,-2.9 61,-3.0 -2,-0.5 2,-0.3 -0.947 12.5 137.3-126.9 144.9 18.1 1.8 18.5 8 8 A S E - b 0 68A 0 29,-2.2 32,-1.1 -2,-0.3 61,-0.2 -0.975 50.4-124.6-167.9 177.2 17.0 5.0 16.8 9 9 A D S S+ 0 0 1 59,-1.0 29,-0.1 -2,-0.3 60,-0.1 0.124 82.3 98.3-119.8 16.8 17.6 8.7 16.4 10 10 A F S S- 0 0 9 58,-0.3 386,-0.4 1,-0.1 29,-0.1 0.767 87.9-117.7 -76.4 -27.3 14.1 9.9 17.4 11 11 A G > - 0 0 10 27,-2.0 3,-1.7 1,-0.1 6,-0.3 0.106 24.9 -89.9 98.3 145.1 15.0 10.8 21.0 12 12 A L T 3 S+ 0 0 24 1,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.812 124.2 58.7 -58.7 -30.1 13.6 9.1 24.1 13 13 A E T 3 S+ 0 0 63 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.502 78.4 106.8 -80.0 -5.0 10.8 11.7 24.2 14 14 A D S X> S- 0 0 21 -3,-1.7 3,-1.3 1,-0.1 4,-0.9 -0.605 71.1-137.1 -77.3 131.0 9.4 10.9 20.7 15 15 A P H 3> S+ 0 0 7 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.735 99.5 73.0 -59.4 -20.8 6.1 9.0 20.9 16 16 A Y H 3> S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 95.4 52.4 -59.7 -39.0 7.3 6.7 18.2 17 17 A V H <> S+ 0 0 2 -3,-1.3 4,-2.1 -6,-0.3 -1,-0.2 0.911 110.6 46.4 -62.0 -42.1 9.6 5.2 20.8 18 18 A A H X S+ 0 0 5 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.893 110.7 53.4 -67.5 -39.0 6.7 4.6 23.2 19 19 A V H X S+ 0 0 10 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.948 107.8 49.7 -61.5 -48.3 4.6 3.2 20.4 20 20 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.943 111.6 49.0 -56.3 -47.4 7.2 0.6 19.4 21 21 A K H X S+ 0 0 32 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.867 111.8 49.5 -60.9 -35.5 7.5 -0.4 23.1 22 22 A A H < S+ 0 0 0 -4,-2.2 4,-0.2 2,-0.2 -1,-0.2 0.908 110.9 48.9 -69.8 -41.5 3.7 -0.7 23.3 23 23 A V H >< S+ 0 0 20 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.924 112.4 48.8 -63.4 -42.4 3.6 -2.8 20.2 24 24 A L H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.775 111.6 49.2 -68.0 -26.5 6.4 -5.1 21.5 25 25 A A T 3< 0 0 42 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.339 360.0 360.0 -94.3 6.5 4.6 -5.4 24.9 26 26 A E < 0 0 178 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.880 360.0 360.0 -73.8 360.0 1.3 -6.3 23.1 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 28 A A 0 0 132 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 140.6 2.5 -11.9 28.4 29 29 A P + 0 0 110 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.463 360.0 151.9 -81.2 144.6 4.8 -13.6 27.8 30 30 A G - 0 0 44 -2,-0.1 -5,-0.1 -29,-0.0 2,-0.1 -0.829 46.2 -82.6-129.5 168.9 6.5 -10.9 25.8 31 31 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 98,-0.1 -0.401 39.5-112.0 -76.2 149.4 10.1 -10.0 24.9 32 32 A A - 0 0 63 -2,-0.1 -28,-3.1 1,-0.0 2,-0.6 -0.609 35.2-149.7 -73.3 135.4 12.4 -8.1 27.2 33 33 A V E -a 4 0A 49 -2,-0.3 2,-0.5 -30,-0.2 -28,-0.2 -0.947 16.1-176.9-117.5 117.7 13.1 -4.7 25.4 34 34 A V E -a 5 0A 22 -30,-3.0 -28,-2.8 -2,-0.6 2,-0.5 -0.944 22.4-132.9-114.7 128.9 16.4 -3.0 26.0 35 35 A D E -a 6 0A 43 -2,-0.5 -28,-0.2 -30,-0.2 449,-0.2 -0.670 14.9-171.7 -81.0 127.1 17.1 0.4 24.5 36 36 A L E - 0 0 6 -30,-3.1 448,-0.5 -2,-0.5 2,-0.2 0.939 69.2 -51.4 -77.4 -51.9 20.5 0.6 22.8 37 37 A A E -a 7 0A 6 -31,-1.0 -29,-2.2 444,-0.1 -1,-0.3 -0.856 43.0-172.6 179.0 147.7 20.2 4.4 22.3 38 38 A H S S+ 0 0 3 440,-0.9 -27,-2.0 -2,-0.2 441,-0.1 0.398 78.9 72.2-128.4 -5.9 17.6 6.9 21.0 39 39 A A + 0 0 17 439,-1.7 -30,-0.2 -28,-0.2 440,-0.1 0.039 61.8 140.5-101.1 26.1 19.6 10.1 21.1 40 40 A L S S- 0 0 0 -32,-1.1 3,-0.1 1,-0.1 440,-0.1 -0.367 72.0 -80.2 -63.2 149.9 21.9 9.3 18.2 41 41 A P > - 0 0 38 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.274 63.6 -89.4 -53.9 132.2 22.5 12.4 16.1 42 42 A P T 3 S- 0 0 58 0, 0.0 3,-0.1 0, 0.0 -32,-0.1 -0.166 103.6 -7.3 -48.6 128.3 19.6 12.8 13.7 43 43 A Q T 3 S+ 0 0 60 1,-0.2 2,-1.3 -3,-0.1 26,-0.1 0.548 88.8 143.6 61.8 13.9 20.0 11.0 10.4 44 44 A D <> + 0 0 34 -3,-2.1 4,-2.0 1,-0.2 -1,-0.2 -0.646 19.8 173.7 -87.5 88.1 23.6 10.0 11.2 45 45 A L H > S+ 0 0 29 -2,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.813 75.8 54.6 -63.7 -34.1 23.9 6.5 9.7 46 46 A R H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 110.1 46.1 -66.9 -45.3 27.7 6.2 10.3 47 47 A R H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.905 116.3 45.7 -62.0 -43.1 27.3 6.9 14.0 48 48 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.924 109.7 54.0 -66.9 -44.1 24.4 4.5 14.3 49 49 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.908 110.4 48.0 -57.0 -42.2 26.1 1.8 12.3 50 50 A Y H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.906 105.6 56.9 -67.1 -41.4 29.1 2.0 14.7 51 51 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.916 108.9 47.6 -56.1 -42.1 26.9 1.9 17.8 52 52 A L H X S+ 0 0 6 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.917 110.6 51.3 -65.0 -42.3 25.5 -1.4 16.5 53 53 A F H < S+ 0 0 3 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.909 109.2 51.9 -59.6 -44.0 29.1 -2.6 15.8 54 54 A E H < S+ 0 0 10 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.884 118.9 34.0 -59.5 -43.5 30.1 -1.7 19.4 55 55 A A H >X S+ 0 0 0 -4,-1.9 3,-2.2 -5,-0.2 4,-0.6 0.843 95.8 81.9 -85.0 -37.0 27.2 -3.6 21.0 56 56 A L G >< S+ 0 0 3 -4,-2.8 3,-1.6 1,-0.3 -1,-0.1 0.793 84.4 58.4 -40.5 -52.2 26.7 -6.7 18.8 57 57 A P G 34 S+ 0 0 3 0, 0.0 517,-3.4 0, 0.0 -1,-0.3 0.721 111.2 44.8 -55.1 -22.1 29.4 -8.9 20.1 58 58 A Y G <4 S+ 0 0 6 -3,-2.2 -2,-0.2 515,-0.2 -3,-0.1 0.465 88.8 103.9-103.1 -3.2 27.9 -8.7 23.6 59 59 A L S << S- 0 0 2 -3,-1.6 3,-0.1 -4,-0.6 515,-0.1 -0.526 85.7 -90.7 -81.4 148.1 24.2 -9.2 22.8 60 60 A P > - 0 0 27 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.271 53.7 -96.8 -54.6 137.4 22.5 -12.6 23.5 61 61 A E T 3 S+ 0 0 85 1,-0.3 25,-0.2 25,-0.1 24,-0.1 -0.324 111.9 21.3 -56.7 135.6 22.8 -14.9 20.4 62 62 A G T 3 S+ 0 0 22 23,-1.6 -1,-0.3 1,-0.2 24,-0.2 0.436 86.7 152.6 85.5 -2.1 19.6 -14.6 18.4 63 63 A A < - 0 0 0 -3,-2.1 24,-2.8 22,-0.1 2,-0.7 -0.255 48.8-118.1 -60.1 150.5 18.6 -11.2 19.8 64 64 A V E -bc 4 87A 1 -61,-2.6 -59,-2.7 22,-0.2 2,-0.9 -0.844 23.0-156.0 -94.9 116.7 16.4 -9.1 17.6 65 65 A V E -bc 5 88A 2 22,-3.8 24,-2.7 -2,-0.7 2,-0.7 -0.835 9.5-171.3 -97.5 106.0 18.2 -5.8 16.8 66 66 A L E +bc 6 89A 0 -61,-2.6 -59,-2.9 -2,-0.9 2,-0.5 -0.885 10.5 173.0-100.3 111.8 15.6 -3.3 15.9 67 67 A A E -b 7 0A 0 22,-2.2 2,-0.6 -2,-0.7 -59,-0.2 -0.973 11.4-178.7-126.9 119.1 17.3 -0.1 14.5 68 68 A V E +b 8 0A 0 -61,-3.0 -59,-1.0 -2,-0.5 2,-0.6 -0.798 25.6 140.0-123.2 88.3 15.3 2.7 13.1 69 69 A V + 0 0 0 -2,-0.6 26,-0.1 -61,-0.2 3,-0.1 -0.963 25.0 169.2-123.4 101.8 17.5 5.5 11.8 70 70 A D > + 0 0 3 -2,-0.6 3,-0.9 1,-0.1 47,-0.1 -0.619 19.2 160.9-124.5 72.8 15.6 6.4 8.6 71 71 A P T 3 S+ 0 0 10 0, 0.0 376,-0.2 0, 0.0 -1,-0.1 0.692 72.3 77.7 -64.3 -14.7 16.8 9.6 7.0 72 72 A G T > S+ 0 0 9 -3,-0.1 3,-1.5 3,-0.1 354,-0.1 0.052 71.6 165.0 -82.8 27.8 15.1 8.3 3.9 73 73 A V T < + 0 0 37 -3,-0.9 353,-0.1 1,-0.3 3,-0.1 -0.140 66.9 3.4 -47.0 134.2 11.8 9.4 5.4 74 74 A G T 3 S+ 0 0 32 1,-0.2 352,-2.2 351,-0.1 2,-0.3 0.818 111.3 108.8 55.6 34.9 9.0 9.4 2.8 75 75 A T S < S- 0 0 58 -3,-1.5 2,-0.7 350,-0.2 -1,-0.2 -0.886 82.7 -81.3-134.3 166.0 11.3 8.1 0.1 76 76 A A S S+ 0 0 108 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.581 72.6 127.5 -73.0 111.8 11.7 4.9 -1.9 77 77 A R - 0 0 54 -2,-0.7 16,-0.1 2,-0.0 -2,-0.1 -0.911 55.6-110.0-164.8 136.7 13.7 2.5 0.4 78 78 A R - 0 0 70 14,-0.3 14,-3.0 -2,-0.3 2,-0.5 -0.349 14.8-143.3 -74.2 151.3 13.0 -1.0 1.5 79 79 A A E +D 91 0A 8 32,-0.3 32,-3.0 12,-0.2 2,-0.3 -0.963 37.1 176.3-108.8 128.7 12.1 -2.0 5.1 80 80 A V E -DE 90 110A 2 10,-2.6 10,-2.4 -2,-0.5 2,-0.4 -0.895 34.8-147.5-138.2 166.3 13.8 -5.4 5.8 81 81 A A E -DE 89 109A 0 28,-2.0 28,-2.7 -2,-0.3 2,-0.4 -0.985 21.5-165.7-127.9 136.4 14.5 -8.1 8.3 82 82 A A E -DE 88 108A 0 6,-2.5 6,-3.0 -2,-0.4 2,-0.5 -0.987 6.7-148.2-127.9 139.0 17.8 -10.0 8.0 83 83 A L E +DE 87 107A 29 24,-2.9 23,-3.5 -2,-0.4 24,-1.6 -0.928 38.2 120.9-115.0 127.1 18.7 -13.3 9.7 84 84 A G S S- 0 0 15 2,-2.4 16,-0.0 -2,-0.5 19,-0.0 -0.454 87.0 -42.8-146.2-141.4 22.2 -14.3 10.9 85 85 A R S S+ 0 0 102 -2,-0.2 -23,-1.6 19,-0.1 2,-0.3 0.827 140.0 26.8 -67.1 -30.4 23.6 -15.2 14.3 86 86 A W S S- 0 0 0 -25,-0.2 -2,-2.4 -24,-0.2 2,-0.4 -0.751 93.9-117.3-119.9 169.8 21.6 -12.3 15.4 87 87 A T E -cD 64 83A 22 -24,-2.8 -22,-3.8 -2,-0.3 2,-0.4 -0.913 23.6-157.8-115.6 141.4 18.4 -10.9 13.8 88 88 A Y E +cD 65 82A 2 -6,-3.0 -6,-2.5 -2,-0.4 2,-0.4 -0.962 12.4 180.0-125.0 136.1 18.0 -7.4 12.3 89 89 A V E +cD 66 81A 0 -24,-2.7 -22,-2.2 -2,-0.4 -8,-0.2 -0.978 38.8 88.2-132.4 118.1 15.0 -5.3 11.6 90 90 A G E S- D 0 80A 0 -10,-2.4 -10,-2.6 -2,-0.4 -22,-0.2 -0.990 73.5 -40.7 177.3-176.0 15.4 -1.9 10.0 91 91 A P E - D 0 79A 1 0, 0.0 2,-1.8 0, 0.0 4,-0.4 -0.397 49.6-123.0 -69.5 146.7 15.6 0.3 6.9 92 92 A D S S+ 0 0 19 -14,-3.0 -14,-0.3 1,-0.2 55,-0.1 -0.515 79.1 112.0 -87.9 67.2 17.6 -1.1 4.0 93 93 A N S S- 0 0 32 -2,-1.8 -1,-0.2 53,-0.1 54,-0.1 0.165 97.9 -90.0-124.9 15.1 19.9 2.0 3.9 94 94 A G S > S+ 0 0 2 52,-0.4 3,-2.1 -3,-0.3 54,-0.5 0.426 86.3 130.4 91.2 -1.0 23.2 0.5 5.1 95 95 A L T 3 S+ 0 0 1 -4,-0.4 3,-0.4 1,-0.3 4,-0.2 0.855 76.4 47.5 -52.1 -38.6 22.6 1.1 8.8 96 96 A F T 3> S+ 0 0 2 -5,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.315 78.8 114.4 -88.4 9.2 23.5 -2.5 9.6 97 97 A T H <> S+ 0 0 6 -3,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.871 80.1 38.4 -46.7 -53.7 26.7 -2.4 7.4 98 98 A L H >> S+ 0 0 0 -3,-0.4 4,-1.2 -4,-0.3 3,-0.7 0.857 114.0 54.9 -71.5 -34.0 29.2 -2.9 10.2 99 99 A A H 3> S+ 0 0 1 1,-0.2 4,-2.3 -4,-0.2 3,-0.4 0.903 106.2 53.7 -64.3 -38.4 27.1 -5.4 12.1 100 100 A W H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.646 98.6 62.3 -71.8 -13.8 26.9 -7.5 9.0 101 101 A L H << S+ 0 0 72 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.854 112.8 37.4 -75.0 -36.4 30.7 -7.5 8.7 102 102 A L H < S+ 0 0 21 -4,-1.2 474,-0.3 -3,-0.4 -2,-0.2 0.837 134.7 24.8 -79.9 -34.2 30.7 -9.3 12.1 103 103 A D S < S- 0 0 8 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.708 78.0-152.8-136.7 82.3 27.6 -11.3 11.2 104 104 A P - 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