==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-NOV-10 3PKV . COMPND 2 MOLECULE: TOXOFLAVIN LYASE (TFLA); . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS POLYMYXA; . AUTHOR M.K.FENWICK,B.PHILMUS,T.P.BEGLEY,S.E.EALICK . 221 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 24.4 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 . 24 10.9 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 . 25 11.3 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 1 0 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 2 A T 0 0 73 0, 0.0 2,-0.3 0, 0.0 173,-0.2 0.000 360.0 360.0 360.0 161.4 13.3 56.4 36.7 2 3 A S - 0 0 25 40,-0.1 203,-2.5 174,-0.0 2,-0.6 -0.863 360.0-100.1-125.1 161.9 15.2 54.0 39.1 3 4 A I E -A 204 0A 0 132,-0.4 132,-0.3 -2,-0.3 201,-0.2 -0.750 31.9-179.6 -82.4 119.7 18.8 53.2 39.9 4 5 A K E S+ 0 0 111 199,-2.4 40,-1.6 -2,-0.6 2,-0.3 0.891 70.1 1.7 -82.3 -46.3 19.9 50.1 38.1 5 6 A Q E -Ab 203 44A 52 198,-1.9 198,-3.1 38,-0.2 2,-0.4 -0.993 55.5-168.6-148.7 138.1 23.4 50.1 39.4 6 7 A L E -Ab 202 45A 0 38,-2.2 40,-3.1 -2,-0.3 2,-0.5 -0.979 11.1-155.3-117.8 136.8 25.5 52.2 41.8 7 8 A T E +Ab 201 46A 6 194,-2.9 194,-1.8 -2,-0.4 2,-0.3 -0.976 22.3 172.9-113.1 120.4 29.3 51.7 42.1 8 9 A L E - b 0 47A 0 38,-2.7 40,-2.6 -2,-0.5 2,-0.3 -0.866 24.1-127.4-124.2 160.3 30.7 52.8 45.4 9 10 A Y E - b 0 48A 53 190,-0.5 2,-0.3 -2,-0.3 40,-0.2 -0.795 22.7-176.3-111.7 150.9 34.2 52.6 47.1 10 11 A T E - b 0 49A 2 38,-2.2 40,-2.1 -2,-0.3 3,-0.4 -0.994 30.6-154.1-149.5 138.8 35.1 51.2 50.4 11 12 A A S S+ 0 0 41 45,-0.4 3,-0.1 -2,-0.3 38,-0.1 0.376 98.2 57.2 -84.5 2.2 38.2 50.8 52.6 12 13 A E > + 0 0 63 1,-0.1 4,-2.9 2,-0.1 5,-0.3 -0.294 58.5 150.9-131.5 48.8 36.6 47.8 54.2 13 14 A L H > S+ 0 0 38 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.875 74.9 47.1 -51.8 -47.5 35.8 45.3 51.4 14 15 A D H > S+ 0 0 139 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 116.2 42.2 -63.1 -49.2 36.2 42.2 53.6 15 16 A R H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.879 114.4 53.6 -65.3 -36.9 34.1 43.4 56.5 16 17 A M H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.929 106.8 50.9 -63.9 -44.7 31.6 44.9 54.1 17 18 A L H X S+ 0 0 28 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.929 112.5 46.4 -59.1 -44.5 31.2 41.6 52.3 18 19 A A H X S+ 0 0 63 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.920 112.2 51.4 -63.2 -42.3 30.6 39.8 55.6 19 20 A F H X S+ 0 0 31 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.928 114.8 40.3 -60.7 -48.6 28.1 42.4 56.8 20 21 A Y H X>S+ 0 0 8 -4,-2.7 4,-3.1 2,-0.2 5,-0.6 0.833 111.3 56.1 -75.9 -31.6 26.0 42.4 53.6 21 22 A T H X5S+ 0 0 51 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.936 112.9 43.2 -62.3 -42.9 26.1 38.6 53.2 22 23 A N H <5S+ 0 0 120 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.885 119.4 43.4 -68.1 -39.3 24.7 38.3 56.7 23 24 A M H <5S+ 0 0 9 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.925 129.7 21.0 -72.2 -46.4 22.1 41.0 56.2 24 25 A L H <5S- 0 0 6 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.666 106.7-115.0-102.6 -21.6 20.8 40.2 52.8 25 26 A G ><< - 0 0 20 -4,-1.8 3,-2.0 -5,-0.6 4,-0.2 0.082 31.8 -82.1 92.8 151.0 21.7 36.5 52.4 26 27 A A G > S+ 0 0 71 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.781 124.1 65.3 -59.3 -29.5 24.1 34.8 50.0 27 28 A Q G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.659 103.9 46.8 -69.9 -14.7 21.5 34.8 47.2 28 29 A H G < S+ 0 0 43 -3,-2.0 11,-2.1 -7,-0.1 2,-0.4 0.329 106.7 68.0-106.0 5.5 21.6 38.6 47.1 29 30 A V E < -C 38 0A 23 -3,-1.3 2,-0.4 -4,-0.2 9,-0.2 -0.974 55.8-167.6-128.9 138.3 25.4 39.0 47.1 30 31 A H E -C 37 0A 116 7,-2.3 7,-2.2 -2,-0.4 2,-0.3 -0.954 13.5-149.8-127.8 119.2 28.1 38.2 44.5 31 32 A E E -C 36 0A 127 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.615 15.7-179.8 -84.3 136.3 31.8 38.2 45.4 32 33 A Q - 0 0 69 3,-3.0 3,-0.3 -2,-0.3 -2,-0.0 -0.762 44.0 -99.7-122.2 175.8 34.5 39.0 42.9 33 34 A A S S+ 0 0 113 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.834 120.5 15.5 -65.2 -29.9 38.3 39.1 43.3 34 35 A D S S+ 0 0 84 1,-0.1 15,-0.9 -21,-0.0 2,-0.3 0.183 132.5 13.4-131.4 14.6 38.3 42.9 43.7 35 36 A A E - D 0 48A 5 -3,-0.3 -3,-3.0 13,-0.2 2,-0.3 -0.975 57.5-142.5-172.5 169.6 34.7 43.8 44.4 36 37 A F E -CD 31 47A 4 11,-2.0 11,-2.9 -2,-0.3 2,-0.3 -0.988 11.1-141.6-149.0 157.7 31.2 42.5 45.3 37 38 A T E -CD 30 46A 14 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.4 -0.887 7.8-162.7-118.8 149.1 27.7 43.3 44.4 38 39 A I E -CD 29 45A 2 7,-2.4 7,-2.3 -2,-0.3 2,-0.5 -0.971 15.2-135.6-127.3 145.9 24.5 43.4 46.4 39 40 A Q E - D 0 44A 70 -11,-2.1 2,-0.5 -2,-0.4 5,-0.2 -0.901 18.1-179.6-104.7 126.6 20.9 43.4 45.1 40 41 A L E > - D 0 43A 3 3,-3.8 3,-2.1 -2,-0.5 2,-0.3 -0.794 63.1 -74.5-123.6 82.7 18.4 45.8 46.6 41 42 A G T 3 S- 0 0 34 -2,-0.5 93,-0.3 1,-0.3 92,-0.2 -0.471 116.5 -8.4 60.6-122.8 15.2 45.0 44.8 42 43 A V T 3 S+ 0 0 93 91,-2.1 2,-0.3 -2,-0.3 -1,-0.3 0.462 127.6 80.3 -82.9 -2.1 15.5 46.4 41.3 43 44 A S E < - D 0 40A 0 -3,-2.1 -3,-3.8 90,-0.1 2,-0.4 -0.827 60.1-162.3-108.3 146.2 18.8 48.2 42.3 44 45 A Q E -bD 5 39A 49 -40,-1.6 -38,-2.2 -2,-0.3 2,-0.4 -0.946 2.1-160.1-120.7 146.6 22.3 46.8 42.5 45 46 A I E -bD 6 38A 1 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.6 -0.997 3.2-159.9-121.9 129.0 25.3 48.3 44.3 46 47 A Q E -bD 7 37A 25 -40,-3.1 -38,-2.7 -2,-0.4 2,-0.5 -0.946 9.1-155.5-101.1 123.6 28.9 47.2 43.4 47 48 A F E -bD 8 36A 0 -11,-2.9 -11,-2.0 -2,-0.6 2,-0.3 -0.875 15.4-177.0 -93.8 131.2 31.4 47.9 46.1 48 49 A R E -bD 9 35A 70 -40,-2.6 -38,-2.2 -2,-0.5 -13,-0.2 -0.817 36.5 -81.0-120.9 162.5 35.0 48.3 45.0 49 50 A A E -b 10 0A 57 -15,-0.9 -38,-0.2 -2,-0.3 2,-0.1 -0.413 44.5-131.8 -65.0 133.3 38.3 48.9 46.9 50 51 A A - 0 0 12 -40,-2.1 3,-0.1 -2,-0.1 2,-0.1 -0.452 33.0 -89.3 -75.0 156.2 38.9 52.5 47.9 51 52 A A > - 0 0 68 -2,-0.1 3,-1.6 1,-0.1 -1,-0.1 -0.392 55.3 -93.4 -58.7 140.0 42.3 54.1 47.2 52 53 A D T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.281 113.6 31.8 -54.4 143.4 44.7 53.6 50.1 53 54 A G T 3 S+ 0 0 89 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.488 103.9 95.1 83.3 2.5 44.6 56.5 52.6 54 55 A T < - 0 0 54 -3,-1.6 -1,-0.3 2,-0.0 -4,-0.1 -0.919 52.3-165.2-124.1 154.4 40.9 57.2 51.9 55 56 A K - 0 0 129 -2,-0.3 -3,-0.1 -3,-0.1 -45,-0.0 -0.621 21.5-164.7-135.2 72.3 37.8 56.0 53.8 56 57 A P + 0 0 2 0, 0.0 -45,-0.4 0, 0.0 2,-0.3 -0.232 12.5 170.8 -62.2 146.5 34.8 56.7 51.5 57 58 A F - 0 0 3 139,-0.2 2,-0.3 51,-0.1 139,-0.2 -0.963 9.1-166.9-148.3 165.9 31.2 56.6 52.8 58 59 A Y - 0 0 2 -2,-0.3 52,-2.4 137,-0.1 2,-0.6 -0.912 28.8-110.7-145.9 163.7 27.9 57.6 51.3 59 60 A H E +g 110 0B 11 -2,-0.3 80,-1.0 50,-0.2 2,-0.5 -0.936 40.7 179.4-101.9 114.7 24.3 58.2 52.4 60 61 A I E -gH 111 138B 2 50,-2.8 52,-2.8 -2,-0.6 2,-0.4 -0.966 9.9-169.5-123.6 116.5 22.2 55.3 50.9 61 62 A A E -gH 112 137B 0 76,-2.2 75,-2.6 -2,-0.5 76,-1.6 -0.892 7.7-155.6-107.0 138.6 18.4 55.1 51.5 62 63 A I E -gH 113 135B 8 50,-3.0 52,-2.4 -2,-0.4 73,-0.2 -0.947 18.0-125.4-114.9 122.5 16.5 51.9 50.5 63 64 A N E +gH 114 134B 1 71,-2.5 70,-2.8 -2,-0.5 71,-0.7 -0.478 30.5 179.5 -65.6 132.0 12.8 52.1 49.7 64 65 A I E -g 115 0B 0 50,-2.4 52,-0.6 -2,-0.2 68,-0.1 -0.864 38.7 -74.6-125.1 166.8 10.5 49.7 51.6 65 66 A A > - 0 0 0 66,-0.4 3,-1.7 -2,-0.3 57,-0.2 -0.163 39.7-114.6 -61.6 155.4 6.8 49.3 51.4 66 67 A A T 3 S+ 0 0 8 55,-2.3 3,-0.4 1,-0.3 56,-0.2 0.792 117.3 41.7 -57.0 -33.4 4.4 51.9 52.9 67 68 A N T 3 S+ 0 0 68 54,-0.5 -1,-0.3 1,-0.2 4,-0.2 0.350 101.1 73.2 -98.4 6.2 3.2 49.4 55.5 68 69 A H <> + 0 0 0 -3,-1.7 4,-2.9 1,-0.1 5,-0.2 0.270 58.9 108.3-105.3 9.9 6.5 47.8 56.4 69 70 A F H > S+ 0 0 13 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.937 81.2 42.0 -60.3 -51.9 8.2 50.6 58.4 70 71 A Q H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 117.6 47.5 -67.2 -35.7 8.1 49.0 61.9 71 72 A E H > S+ 0 0 87 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 112.9 50.5 -65.1 -40.3 9.1 45.6 60.6 72 73 A G H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.921 110.2 49.4 -63.0 -42.4 11.9 47.2 58.6 73 74 A K H X S+ 0 0 24 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.914 112.2 47.5 -61.8 -46.1 13.1 49.1 61.6 74 75 A A H < S+ 0 0 63 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.925 113.8 48.2 -62.2 -44.8 13.1 45.9 63.8 75 76 A W H >< S+ 0 0 50 -4,-2.6 3,-1.6 1,-0.2 4,-0.2 0.933 110.4 50.7 -58.9 -49.1 14.9 44.0 61.1 76 77 A L H >< S+ 0 0 1 -4,-2.9 3,-2.1 1,-0.3 4,-0.5 0.874 101.2 62.9 -60.1 -38.0 17.5 46.7 60.6 77 78 A S T 3< S+ 0 0 58 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.652 89.6 70.2 -63.8 -15.4 18.2 46.8 64.3 78 79 A G T < S+ 0 0 61 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.632 99.7 47.9 -73.5 -11.6 19.4 43.2 64.1 79 80 A F S < S- 0 0 46 -3,-2.1 2,-0.3 1,-0.4 -1,-0.2 0.531 126.9 -24.4-111.1 -8.8 22.5 44.3 62.2 80 81 A G S S- 0 0 28 -4,-0.5 -1,-0.4 -3,-0.3 2,-0.3 -0.932 83.8 -61.7 175.9 169.3 23.7 47.2 64.3 81 82 A E - 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