==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXOFLAVIN BINDING PROTEIN 15-SEP-10 3OUL . COMPND 2 MOLECULE: TOXOFLAVIN-DEGRADING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS POLYMYXA; . AUTHOR M.I.KIM,S.RHEE . 222 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 69.8 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 . 56 25.2 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 . 27 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 3 2 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 A 0 0 65 0, 0.0 2,-0.3 0, 0.0 173,-0.2 0.000 360.0 360.0 360.0 173.9 152.6 23.7 11.5 2 3 A S - 0 0 16 40,-0.1 203,-2.2 174,-0.0 2,-0.7 -0.935 360.0-101.7-138.5 161.9 149.6 23.4 13.8 3 4 A I E +A 204 0A 0 132,-0.4 132,-0.4 -2,-0.3 201,-0.2 -0.768 30.0 179.5 -89.7 118.1 147.0 20.8 14.5 4 5 A K E S+ 0 0 93 199,-2.3 40,-1.6 -2,-0.7 2,-0.3 0.899 73.7 6.3 -80.6 -44.8 143.7 21.6 12.8 5 6 A Q E -Ab 203 44A 52 198,-1.8 198,-3.1 38,-0.2 2,-0.4 -0.995 57.7-172.2-145.6 135.8 141.9 18.5 14.1 6 7 A L E -Ab 202 45A 0 38,-2.0 40,-2.9 -2,-0.3 2,-0.5 -0.998 11.8-157.3-125.6 128.0 142.8 15.7 16.6 7 8 A T E +Ab 201 46A 12 194,-2.9 194,-1.8 -2,-0.4 2,-0.3 -0.949 20.0 171.2-110.2 122.7 140.4 12.7 16.9 8 9 A L E -Ab 200 47A 0 38,-2.6 40,-2.9 -2,-0.5 2,-0.3 -0.881 25.2-124.4-127.4 159.7 140.7 10.8 20.2 9 10 A Y E - b 0 48A 50 190,-0.5 2,-0.3 -2,-0.3 40,-0.2 -0.758 23.3-177.5-109.3 153.1 138.7 8.1 21.9 10 11 A T E - b 0 49A 1 38,-2.3 40,-2.3 -2,-0.3 3,-0.4 -0.989 29.2-155.1-150.4 138.5 137.0 8.0 25.2 11 12 A A S S+ 0 0 39 45,-0.4 3,-0.1 -2,-0.3 38,-0.1 0.366 96.6 60.0 -89.4 3.6 135.0 5.5 27.3 12 13 A E > + 0 0 67 1,-0.1 4,-3.0 2,-0.1 5,-0.3 -0.289 59.6 151.4-125.8 48.0 133.3 8.3 29.1 13 14 A L H > S+ 0 0 33 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.885 72.9 45.7 -46.9 -52.8 131.5 10.2 26.3 14 15 A D H > S+ 0 0 133 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 116.7 42.2 -61.1 -51.2 128.7 11.6 28.4 15 16 A R H > S+ 0 0 138 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 114.4 53.9 -62.2 -39.0 130.8 12.8 31.4 16 17 A X H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.909 107.5 49.9 -60.7 -42.7 133.4 14.2 29.0 17 18 A L H X S+ 0 0 27 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.939 112.2 47.4 -63.3 -45.5 130.8 16.2 27.2 18 19 A A H X S+ 0 0 64 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.914 112.7 50.0 -60.8 -43.1 129.4 17.7 30.4 19 20 A F H X S+ 0 0 29 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.930 114.7 41.8 -61.0 -51.1 133.0 18.5 31.6 20 21 A Y H X S+ 0 0 9 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.812 112.4 54.0 -71.9 -28.2 134.0 20.2 28.5 21 22 A T H X S+ 0 0 50 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.923 112.0 45.2 -69.2 -42.2 130.8 22.1 28.1 22 23 A N H < S+ 0 0 119 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.879 119.2 43.6 -66.0 -38.5 131.1 23.4 31.6 23 24 A X H < S+ 0 0 14 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.938 129.4 19.9 -74.5 -47.9 134.7 24.3 31.0 24 25 A L H < S- 0 0 6 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.665 106.2-112.8 -99.8 -19.2 134.6 25.9 27.6 25 26 A G >< - 0 0 24 -4,-2.0 3,-2.6 -5,-0.5 4,-0.3 0.179 31.5 -84.1 96.0 144.7 131.0 26.9 27.1 26 27 A A G > S+ 0 0 77 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.767 124.2 67.2 -52.9 -27.8 128.3 25.5 24.7 27 28 A Q G 3 S+ 0 0 129 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.668 102.4 45.6 -68.8 -17.8 129.7 27.9 22.0 28 29 A H G < S+ 0 0 32 -3,-2.6 11,-2.3 -7,-0.1 2,-0.3 0.292 107.9 68.7-107.1 7.5 132.9 25.9 21.9 29 30 A V E < -C 38 0A 22 -3,-1.3 2,-0.4 -4,-0.3 9,-0.2 -0.955 54.1-168.5-130.6 145.4 131.4 22.5 21.9 30 31 A H E -C 37 0A 114 7,-2.2 7,-2.0 -2,-0.3 2,-0.2 -0.910 14.6-150.7-135.3 112.2 129.3 20.5 19.3 31 32 A E E +C 36 0A 126 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.556 19.7 171.8 -82.2 139.7 127.6 17.3 20.4 32 33 A Q E > -C 35 0A 70 3,-2.8 3,-0.9 -2,-0.2 2,-0.5 -0.769 48.8 -73.9-132.2 177.5 127.0 14.5 17.9 33 34 A A T 3 S- 0 0 83 1,-0.3 3,-0.0 -2,-0.3 0, 0.0 -0.687 119.6 -6.4 -76.8 127.3 125.7 11.0 18.2 34 35 A D T 3 S+ 0 0 111 -2,-0.5 15,-2.0 14,-0.1 2,-0.3 0.641 133.8 48.0 63.1 18.9 128.6 9.1 19.7 35 36 A A E < -CD 32 48A 1 -3,-0.9 -3,-2.8 13,-0.2 2,-0.3 -0.958 56.1-165.3-174.4 159.1 131.1 12.0 19.5 36 37 A F E -CD 31 47A 1 11,-2.1 11,-2.9 -2,-0.3 2,-0.3 -0.985 13.5-139.2-151.5 156.1 131.6 15.6 20.3 37 38 A T E -CD 30 46A 15 -7,-2.0 -7,-2.2 -2,-0.3 2,-0.4 -0.898 8.0-161.0-120.1 149.2 134.0 18.3 19.3 38 39 A I E -CD 29 45A 2 7,-2.6 7,-2.3 -2,-0.3 2,-0.5 -0.967 15.6-135.1-125.8 143.5 135.7 21.1 21.2 39 40 A Q E - D 0 44A 73 -11,-2.3 2,-0.5 -2,-0.4 5,-0.2 -0.889 19.2-179.8-103.5 127.5 137.3 24.2 19.8 40 41 A L E > - D 0 43A 2 3,-3.9 3,-2.3 -2,-0.5 2,-0.3 -0.788 61.0 -75.0-124.2 81.6 140.7 25.2 21.3 41 42 A G T 3 S- 0 0 38 -2,-0.5 93,-0.2 1,-0.3 92,-0.2 -0.485 115.7 -8.8 66.6-121.9 141.7 28.3 19.4 42 43 A V T 3 S+ 0 0 93 91,-2.2 2,-0.3 -2,-0.3 -1,-0.3 0.455 128.9 78.0 -87.0 -1.4 142.8 27.3 15.9 43 44 A S E < - D 0 40A 0 -3,-2.3 -3,-3.9 90,-0.1 2,-0.4 -0.843 60.9-162.4-111.1 145.5 142.7 23.6 16.9 44 45 A Q E -bD 5 39A 46 -40,-1.6 -38,-2.0 -2,-0.3 2,-0.4 -0.952 2.6-159.3-123.8 143.1 139.7 21.3 17.3 45 46 A I E -bD 6 38A 3 -7,-2.3 -7,-2.6 -2,-0.4 2,-0.6 -0.992 3.2-160.8-120.9 130.9 139.5 18.0 19.2 46 47 A Q E -bD 7 37A 27 -40,-2.9 -38,-2.6 -2,-0.4 2,-0.5 -0.959 6.2-157.8-111.0 122.6 136.8 15.4 18.4 47 48 A F E -bD 8 36A 1 -11,-2.9 -11,-2.1 -2,-0.6 2,-0.3 -0.894 14.1-171.5 -98.8 126.6 136.3 12.8 21.1 48 49 A R E -bD 9 35A 90 -40,-2.9 -38,-2.3 -2,-0.5 -13,-0.2 -0.848 33.9 -84.5-116.5 155.8 134.6 9.6 19.8 49 50 A A E -b 10 0A 48 -15,-2.0 -38,-0.2 -2,-0.3 2,-0.1 -0.336 45.7-132.4 -61.7 133.9 133.2 6.7 21.7 50 51 A A - 0 0 18 -40,-2.3 2,-0.1 1,-0.1 -1,-0.1 -0.382 27.5 -92.3 -81.2 160.5 135.9 4.1 22.6 51 52 A A > - 0 0 66 1,-0.1 3,-1.6 -2,-0.1 -1,-0.1 -0.438 51.8 -96.4 -69.1 144.9 135.5 0.3 22.1 52 53 A D T 3 S+ 0 0 164 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.365 112.9 34.8 -61.4 145.0 134.1 -1.5 25.1 53 54 A G T 3 S+ 0 0 85 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.455 103.3 93.5 89.2 -1.9 136.8 -3.0 27.3 54 55 A T < - 0 0 51 -3,-1.6 -1,-0.3 2,-0.0 -4,-0.1 -0.913 51.0-169.0-123.4 151.4 139.2 -0.0 26.6 55 56 A K - 0 0 128 -2,-0.3 -3,-0.1 -3,-0.1 -45,-0.0 -0.559 22.6-165.9-136.3 69.6 139.7 3.2 28.6 56 57 A P + 0 0 3 0, 0.0 -45,-0.4 0, 0.0 2,-0.3 -0.188 14.1 165.8 -61.5 149.1 141.8 5.4 26.3 57 58 A F - 0 0 11 139,-0.2 2,-0.3 -47,-0.1 139,-0.2 -0.959 9.4-172.6-154.6 162.0 143.5 8.5 27.6 58 59 A Y - 0 0 2 -2,-0.3 52,-2.4 137,-0.1 2,-0.6 -0.848 30.6-105.3-147.3 173.6 146.2 10.8 26.2 59 60 A H E +g 110 0B 15 -2,-0.3 80,-1.0 50,-0.2 2,-0.5 -0.967 39.8 178.2-111.8 117.6 148.4 13.7 27.2 60 61 A I E -gH 111 138B 2 50,-2.2 52,-2.8 -2,-0.6 2,-0.4 -0.985 11.3-166.0-124.4 124.3 147.2 16.9 25.6 61 62 A A E -gH 112 137B 0 76,-2.2 75,-2.6 -2,-0.5 76,-1.7 -0.919 8.5-154.2-110.4 138.6 148.9 20.3 26.2 62 63 A I E -gH 113 135B 11 50,-3.0 52,-2.4 -2,-0.4 73,-0.2 -0.951 17.8-124.0-114.8 126.4 147.0 23.5 25.2 63 64 A N E +gH 114 134B 2 71,-2.4 70,-2.8 -2,-0.5 71,-0.7 -0.465 31.6 178.1 -70.6 134.8 148.9 26.7 24.3 64 65 A I E -g 115 0B 0 50,-2.2 52,-0.6 68,-0.2 68,-0.1 -0.895 39.6 -71.7-131.0 162.3 148.1 29.8 26.3 65 66 A A > - 0 0 0 66,-0.4 3,-1.5 -2,-0.3 4,-0.2 -0.085 39.0-116.7 -54.7 150.9 149.6 33.3 26.1 66 67 A A T 3 S+ 0 0 9 55,-2.4 3,-0.4 1,-0.3 56,-0.2 0.824 117.3 40.8 -55.8 -34.5 153.0 34.0 27.5 67 68 A N T 3 S+ 0 0 70 54,-0.5 -1,-0.3 1,-0.2 4,-0.2 0.384 101.5 74.2 -97.2 4.9 151.5 36.4 30.1 68 69 A H <> + 0 0 0 -3,-1.5 4,-2.9 1,-0.1 5,-0.2 0.292 58.8 108.2-103.0 10.1 148.5 34.3 30.9 69 70 A F H > S+ 0 0 13 -3,-0.4 4,-2.6 -4,-0.2 5,-0.2 0.935 80.4 42.2 -58.1 -53.6 150.0 31.5 33.1 70 71 A Q H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 117.8 47.8 -63.4 -37.3 148.8 32.4 36.5 71 72 A E H > S+ 0 0 85 -4,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 112.7 50.0 -64.9 -41.1 145.3 33.2 35.3 72 73 A G H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.904 110.5 49.0 -61.6 -43.5 145.3 30.0 33.3 73 74 A K H X S+ 0 0 25 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.886 112.5 48.2 -63.0 -42.9 146.4 28.0 36.3 74 75 A A H < S+ 0 0 62 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.929 113.3 48.0 -64.1 -45.5 143.7 29.6 38.5 75 76 A W H >< S+ 0 0 50 -4,-2.6 3,-1.8 1,-0.2 4,-0.3 0.937 110.6 51.0 -60.2 -47.1 141.0 29.0 35.8 76 77 A L H >X S+ 0 0 1 -4,-2.9 3,-2.1 1,-0.3 4,-0.6 0.875 100.0 63.4 -60.9 -37.5 142.1 25.3 35.4 77 78 A S T 3< S+ 0 0 60 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.598 90.3 70.5 -63.7 -10.3 141.9 24.7 39.1 78 79 A G T <4 S+ 0 0 61 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.624 100.6 44.6 -81.7 -12.4 138.2 25.4 38.9 79 80 A F T <4 S- 0 0 45 -3,-2.1 2,-0.3 1,-0.4 -2,-0.2 0.527 128.3 -15.4-108.7 -7.0 137.5 22.2 37.0 80 81 A G S < S- 0 0 26 -4,-0.6 -1,-0.4 -3,-0.1 2,-0.2 -0.941 83.2 -70.7 177.7 164.1 139.6 19.8 39.0 81 82 A E - 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J 0 113B 0 12,-1.7 12,-2.4 -2,-0.3 2,-0.3 -0.932 15.4-154.9-136.6 162.1 149.9 23.3 34.9 102 103 A Y E + J 0 112B 5 -19,-0.4 -19,-2.6 -13,-0.3 2,-0.3 -0.969 18.5 171.6-144.7 152.7 147.7 20.2 34.8 103 104 A V E - J 0 111B 1 8,-2.1 8,-2.3 -2,-0.3 2,-0.3 -0.968 30.6-119.0-151.3 157.4 144.3 18.6 35.6 104 105 A E E - J 0 110B 79 -23,-0.4 6,-0.2 -2,-0.3 -23,-0.1 -0.796 21.7-148.2 -98.9 145.8 142.7 15.3 34.7 105 106 A D > - 0 0 9 4,-1.4 3,-2.1 -2,-0.3 -89,-0.1 -0.427 44.4 -79.1 -98.1-178.0 139.4 15.1 32.8 106 107 A P T 3 S+ 0 0 25 0, 0.0 -90,-0.1 0, 0.0 -91,-0.1 0.698 131.7 47.7 -55.2 -19.9 136.8 12.4 33.2 107 108 A S T 3 S- 0 0 13 2,-0.1 3,-0.1 -92,-0.1 -96,-0.1 0.411 119.4-105.8-101.3 1.3 138.8 9.9 31.2 108 109 A G < + 0 0 6 -3,-2.1 85,-0.1 1,-0.3 2,-0.1 0.651 63.1 160.2 84.2 12.2 142.0 10.5 32.9 109 110 A N - 0 0 0 -53,-0.1 -4,-1.4 -52,-0.1 2,-1.0 -0.476 46.1-121.4 -65.0 144.5 143.5 12.5 30.0 110 111 A I E -gJ 59 104B 0 -52,-2.4 -50,-2.2 -6,-0.2 2,-0.7 -0.797 31.4-164.6 -93.4 101.4 146.4 14.6 31.2 111 112 A I E -gJ 60 103B 6 -8,-2.3 -8,-2.1 -2,-1.0 2,-0.4 -0.808 9.3-177.1 -95.7 113.2 145.3 18.1 30.3 112 113 A E E -gJ 61 102B 0 -52,-2.8 -50,-3.0 -2,-0.7 2,-0.5 -0.871 21.6-152.1-112.5 141.5 148.1 20.6 30.4 113 114 A L E -gJ 62 101B 1 -12,-2.4 -12,-1.7 -2,-0.4 2,-0.5 -0.969 21.2-164.1-107.1 126.0 148.0 24.4 29.8 114 115 A I E -gJ 63 100B 0 -52,-2.4 -50,-2.2 -2,-0.5 2,-0.7 -0.968 10.9-165.6-119.8 122.6 151.5 25.4 28.6 115 116 A S E -gJ 64 99B 0 -16,-3.0 -16,-2.1 -2,-0.5 2,-0.6 -0.902 11.5-154.7-107.2 99.8 152.6 29.0 28.6 116 117 A R E - 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