==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-NOV-10 3PKW . COMPND 2 MOLECULE: TOXOFLAVIN LYASE (TFLA); . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS POLYMYXA; . AUTHOR M.K.FENWICK,B.PHILMUS,T.P.BEGLEY,S.E.EALICK . 220 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 24.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 28 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 0 0 0 0 1 1 0 1 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 1 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 . 2 0 3 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A S 0 0 49 0, 0.0 203,-2.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 159.1 15.5 53.8 39.1 2 4 A I E +A 203 0A 0 132,-0.4 132,-0.3 201,-0.2 201,-0.2 -0.773 360.0 179.6 -82.2 118.2 19.2 53.1 39.8 3 5 A K E S+ 0 0 127 199,-2.1 40,-1.6 -2,-0.7 2,-0.4 0.900 71.4 12.4 -81.6 -46.2 20.2 50.0 38.0 4 6 A Q E -Ab 202 43A 46 198,-2.0 198,-2.5 38,-0.2 2,-0.4 -0.992 60.7-177.2-139.9 126.7 23.8 50.0 39.1 5 7 A L E -Ab 201 44A 0 38,-2.4 40,-3.1 -2,-0.4 2,-0.5 -0.993 10.9-159.5-124.1 125.5 25.6 52.0 41.8 6 8 A T E +Ab 200 45A 7 194,-3.1 194,-1.4 -2,-0.4 2,-0.3 -0.930 18.2 170.1-109.7 121.6 29.4 51.6 42.3 7 9 A L E - b 0 46A 0 38,-2.9 40,-2.9 -2,-0.5 2,-0.3 -0.846 25.6-125.4-127.3 160.5 30.9 52.7 45.6 8 10 A Y E - b 0 47A 62 190,-0.5 2,-0.3 -2,-0.3 40,-0.2 -0.801 22.3-175.7-110.2 151.5 34.2 52.3 47.3 9 11 A T E - b 0 48A 1 38,-2.5 40,-2.2 -2,-0.3 3,-0.4 -0.992 28.1-156.6-148.3 136.5 35.0 50.9 50.8 10 12 A A S S+ 0 0 40 45,-0.4 3,-0.1 -2,-0.3 38,-0.1 0.406 96.8 58.2 -87.3 1.5 38.2 50.6 52.9 11 13 A E > + 0 0 67 1,-0.1 4,-2.6 2,-0.1 5,-0.3 -0.355 60.4 151.8-127.5 49.5 36.5 47.7 54.7 12 14 A L H > S+ 0 0 27 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.879 72.6 46.5 -53.6 -47.1 35.7 45.2 52.0 13 15 A D H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 115.6 44.1 -65.4 -47.5 35.9 42.0 54.1 14 16 A R H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.855 115.3 50.2 -62.1 -37.1 33.8 43.3 57.0 15 17 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.898 108.6 51.7 -68.4 -42.3 31.3 44.8 54.5 16 18 A L H X S+ 0 0 26 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.937 113.9 44.3 -56.9 -47.3 31.1 41.5 52.7 17 19 A A H X S+ 0 0 60 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.931 113.6 50.5 -64.3 -47.8 30.4 39.7 56.0 18 20 A F H X S+ 0 0 32 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.915 115.0 40.9 -55.6 -51.3 27.9 42.4 57.1 19 21 A Y H X>S+ 0 0 10 -4,-2.7 4,-3.0 2,-0.2 5,-0.5 0.833 111.9 54.8 -74.9 -32.1 25.8 42.4 53.9 20 22 A T H X5S+ 0 0 51 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.924 113.2 44.6 -61.6 -41.8 25.9 38.6 53.5 21 23 A N H <5S+ 0 0 120 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.880 118.8 42.8 -69.8 -38.6 24.5 38.4 57.0 22 24 A M H <5S+ 0 0 11 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.915 129.9 21.3 -72.0 -45.9 22.0 41.1 56.4 23 25 A L H <5S- 0 0 6 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.632 106.7-113.2-104.7 -17.7 20.7 40.2 53.0 24 26 A G >X< - 0 0 20 -4,-1.8 3,-2.0 -5,-0.5 4,-0.5 0.107 32.7 -81.9 92.2 150.9 21.6 36.5 52.6 25 27 A A G >4 S+ 0 0 72 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.736 123.9 66.3 -61.0 -23.3 24.1 34.8 50.3 26 28 A Q G 34 S+ 0 0 141 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.716 104.5 44.0 -72.1 -19.2 21.6 34.8 47.4 27 29 A H G <4 S+ 0 0 39 -3,-2.0 11,-1.8 -7,-0.1 2,-0.4 0.484 107.0 67.9-102.7 -6.0 21.7 38.6 47.3 28 30 A V E << -C 37 0A 20 -3,-0.6 2,-0.4 -4,-0.5 9,-0.2 -0.940 56.3-169.6-122.8 134.6 25.4 39.0 47.6 29 31 A H E -C 36 0A 121 7,-2.3 7,-1.9 -2,-0.4 2,-0.2 -0.948 13.8-147.5-127.5 117.6 28.2 38.1 45.1 30 32 A E E +C 35 0A 122 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.527 17.5 177.0 -82.1 138.4 31.8 38.2 46.0 31 33 A Q - 0 0 104 3,-3.0 3,-0.4 -2,-0.2 -2,-0.0 -0.720 47.4 -89.3-121.0-175.3 34.6 39.1 43.6 32 34 A A S S+ 0 0 93 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.921 120.1 5.1 -63.4 -46.1 38.4 39.4 44.2 33 35 A D S S+ 0 0 116 15,-0.0 15,-2.0 -21,-0.0 2,-0.3 -0.104 133.1 32.5-131.9 35.2 38.4 43.1 45.1 34 36 A A E - D 0 47A 4 -3,-0.4 -3,-3.0 13,-0.2 2,-0.3 -0.961 56.8-157.1-172.1 164.2 34.7 43.9 45.1 35 37 A F E -CD 30 46A 2 11,-2.0 11,-2.9 -2,-0.3 2,-0.4 -0.975 12.0-138.6-149.0 161.6 31.2 42.5 45.8 36 38 A T E -CD 29 45A 20 -7,-1.9 -7,-2.3 -2,-0.3 2,-0.4 -0.927 7.4-161.8-120.7 148.3 27.7 43.3 44.8 37 39 A I E -CD 28 44A 3 7,-2.1 7,-2.1 -2,-0.4 2,-0.6 -0.959 15.8-137.1-121.7 144.4 24.4 43.4 46.7 38 40 A Q E - D 0 43A 71 -11,-1.8 2,-0.6 -2,-0.4 5,-0.2 -0.911 17.6-177.8-103.4 123.0 21.0 43.2 45.1 39 41 A L E > - D 0 42A 2 3,-4.2 3,-2.7 -2,-0.6 2,-0.2 -0.819 60.4 -78.0-116.0 87.4 18.4 45.6 46.5 40 42 A G T 3 S- 0 0 39 -2,-0.6 93,-0.2 1,-0.3 92,-0.2 -0.382 116.9 -4.3 58.2-118.6 15.2 44.8 44.6 41 43 A V T 3 S+ 0 0 90 91,-2.1 2,-0.4 -2,-0.2 -1,-0.3 0.440 127.7 77.7 -84.4 0.6 15.7 46.4 41.2 42 44 A S E < - D 0 39A 0 -3,-2.7 -3,-4.2 90,-0.1 2,-0.4 -0.884 59.3-162.6-116.9 142.9 18.9 48.1 42.3 43 45 A Q E -bD 4 38A 45 -40,-1.6 -38,-2.4 -2,-0.4 2,-0.5 -0.973 2.7-161.2-120.0 137.9 22.4 46.7 42.6 44 46 A I E -bD 5 37A 2 -7,-2.1 -7,-2.1 -2,-0.4 2,-0.6 -0.977 4.5-158.3-113.8 125.9 25.3 48.2 44.5 45 47 A Q E -bD 6 36A 17 -40,-3.1 -38,-2.9 -2,-0.5 2,-0.5 -0.913 6.9-158.0 -99.0 120.6 28.9 47.2 43.7 46 48 A F E -bD 7 35A 0 -11,-2.9 -11,-2.0 -2,-0.6 2,-0.3 -0.865 13.5-169.8 -93.9 128.5 31.3 47.9 46.6 47 49 A R E -bD 8 34A 92 -40,-2.9 -38,-2.5 -2,-0.5 -13,-0.2 -0.876 33.1 -89.2-116.8 151.8 34.9 48.1 45.5 48 50 A A E -b 9 0A 46 -15,-2.0 -38,-0.2 -2,-0.3 2,-0.1 -0.332 47.2-131.1 -54.8 132.7 38.2 48.2 47.4 49 51 A A - 0 0 18 -40,-2.2 2,-0.1 1,-0.1 3,-0.1 -0.451 28.0 -89.3 -81.7 158.2 39.1 51.8 48.2 50 52 A A > - 0 0 68 -2,-0.1 3,-1.4 1,-0.1 -1,-0.1 -0.406 55.2 -92.8 -57.9 141.0 42.5 53.4 47.7 51 53 A D T 3 S+ 0 0 161 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.253 112.7 29.9 -51.8 142.6 44.8 53.1 50.6 52 54 A G T 3 S+ 0 0 89 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.586 103.9 95.7 80.9 7.6 44.7 56.0 53.0 53 55 A T < - 0 0 53 -3,-1.4 -1,-0.3 2,-0.0 -4,-0.1 -0.935 51.9-166.0-124.7 155.1 41.1 56.8 52.2 54 56 A K - 0 0 140 -2,-0.3 -3,-0.1 -3,-0.1 -45,-0.0 -0.565 20.3-165.1-138.3 71.2 37.9 55.7 54.0 55 57 A P + 0 0 3 0, 0.0 -45,-0.4 0, 0.0 2,-0.3 -0.173 14.0 166.4 -61.6 147.6 35.0 56.4 51.7 56 58 A F - 0 0 10 139,-0.2 2,-0.3 -47,-0.1 139,-0.2 -0.955 9.2-172.7-154.6 164.9 31.4 56.4 52.9 57 59 A Y - 0 0 2 -2,-0.3 52,-2.4 137,-0.1 2,-0.6 -0.878 30.3-105.5-150.0 168.7 28.1 57.6 51.5 58 60 A H E +g 109 0B 11 -2,-0.3 80,-1.2 50,-0.2 2,-0.5 -0.951 40.0 177.6-109.5 116.9 24.5 58.1 52.4 59 61 A I E -gH 110 137B 2 50,-2.4 52,-2.9 -2,-0.6 2,-0.4 -0.980 11.4-167.1-124.1 123.2 22.2 55.5 50.9 60 62 A A E -gH 111 136B 0 76,-2.2 75,-2.3 -2,-0.5 76,-1.8 -0.905 8.7-153.6-108.6 141.4 18.5 55.2 51.4 61 63 A I E -gH 112 134B 12 50,-2.6 52,-2.4 -2,-0.4 73,-0.2 -0.958 17.7-123.8-116.4 124.7 16.6 52.0 50.4 62 64 A N E +gH 113 133B 2 71,-2.3 70,-2.5 -2,-0.5 71,-0.6 -0.433 32.3 177.6 -64.9 133.9 12.9 52.1 49.5 63 65 A I E -g 114 0B 0 50,-2.2 52,-0.6 68,-0.2 68,-0.1 -0.881 39.7 -70.5-129.9 169.2 10.6 49.8 51.5 64 66 A A > - 0 0 0 66,-0.4 3,-1.7 -2,-0.3 57,-0.2 -0.198 38.3-119.5 -62.9 148.5 6.8 49.4 51.3 65 67 A A T 3 S+ 0 0 7 55,-1.9 3,-0.5 1,-0.3 56,-0.2 0.829 113.2 42.9 -49.1 -39.4 4.5 52.1 52.6 66 68 A N T 3 S+ 0 0 67 54,-0.6 -1,-0.3 1,-0.2 4,-0.2 0.386 103.9 65.7 -97.0 6.2 3.0 49.7 55.2 67 69 A H <> + 0 0 9 -3,-1.7 4,-2.5 1,-0.1 5,-0.2 0.099 56.9 114.5-118.8 28.7 6.1 48.1 56.4 68 70 A F H > S+ 0 0 12 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.947 81.0 47.0 -64.7 -46.4 8.1 50.9 58.2 69 71 A Q H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 114.7 46.7 -65.6 -36.1 7.9 49.4 61.7 70 72 A E H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.906 113.6 49.2 -65.9 -42.2 8.9 45.9 60.4 71 73 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.900 110.6 50.9 -62.3 -40.9 11.7 47.4 58.4 72 74 A K H X S+ 0 0 23 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.920 112.0 46.0 -64.5 -46.7 12.8 49.3 61.5 73 75 A A H X S+ 0 0 62 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.916 113.7 49.9 -57.8 -45.5 12.8 46.2 63.7 74 76 A W H >< S+ 0 0 48 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.939 110.1 49.9 -61.5 -45.7 14.6 44.3 61.0 75 77 A L H >< S+ 0 0 1 -4,-2.8 3,-2.4 1,-0.3 4,-0.5 0.890 101.7 61.4 -61.9 -42.2 17.3 47.0 60.6 76 78 A S H 3< S+ 0 0 60 -4,-2.0 -1,-0.3 1,-0.3 3,-0.3 0.641 90.7 71.4 -62.7 -13.4 18.0 47.2 64.4 77 79 A G T << S+ 0 0 62 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.690 100.5 44.7 -72.7 -16.9 19.0 43.5 64.2 78 80 A F S < S- 0 0 49 -3,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.512 128.0 -18.8-110.0 -4.8 22.2 44.5 62.4 79 81 A G S S- 0 0 27 -4,-0.5 -1,-0.3 -3,-0.3 2,-0.2 -0.927 83.8 -64.8 174.9 164.4 23.3 47.5 64.4 80 82 A E - 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