==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-APR-09 3H9M . COMPND 2 MOLECULE: P-AMINOBENZOATE SYNTHETASE, COMPONENT I; . SOURCE 2 ORGANISM_SCIENTIFIC: CYTOPHAGA HUTCHINSONII ATCC 33406; . AUTHOR P.SAMPATHKUMAR,S.ATWELL,S.WASSERMAN,J.DO,K.BAIN,M.RUTTER, . 399 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 0 1 0 3 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 6 5 2 0 0 0 1 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 0 0 1 0 1 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 S 0 0 173 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.5 5.7 81.3 28.3 2 3 A L - 0 0 95 127,-0.0 2,-0.4 2,-0.0 126,-0.1 -0.717 360.0-118.2 -98.2 155.7 3.1 79.5 26.1 3 4 A S E -A 127 0A 62 124,-0.7 124,-3.0 -2,-0.3 2,-0.4 -0.789 24.3-162.5 -95.2 138.3 -0.7 80.0 26.4 4 5 A F E -A 126 0A 84 -2,-0.4 122,-0.2 122,-0.2 129,-0.0 -0.987 4.1-156.9-123.0 128.8 -3.0 77.1 27.3 5 6 A T E -A 125 0A 20 120,-2.7 120,-2.6 -2,-0.4 2,-0.1 -0.925 19.4-131.7-105.4 115.6 -6.7 77.1 26.7 6 7 A P E -A 124 0A 71 0, 0.0 118,-0.3 0, 0.0 2,-0.3 -0.401 18.8-138.6 -61.7 140.2 -8.8 74.7 28.9 7 8 A L - 0 0 15 116,-2.4 4,-0.1 2,-0.1 3,-0.0 -0.712 13.0-162.5 -95.9 152.2 -11.3 72.5 27.1 8 9 A H S S+ 0 0 166 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.057 78.6 46.8-121.3 21.2 -14.8 71.8 28.4 9 10 A T S S- 0 0 78 1,-0.0 -2,-0.1 114,-0.0 2,-0.0 -0.862 103.6 -76.6-139.3 173.4 -15.3 68.8 26.2 10 11 A T > - 0 0 81 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.340 43.3-114.4 -63.0 158.6 -13.1 65.8 25.3 11 12 A S H > S+ 0 0 13 111,-0.3 4,-2.6 1,-0.2 5,-0.2 0.871 118.4 57.8 -63.3 -35.0 -10.3 66.5 22.9 12 13 A E H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 106.2 47.8 -60.5 -46.0 -12.1 64.1 20.5 13 14 A A H > S+ 0 0 36 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.879 111.4 51.0 -64.6 -37.9 -15.2 66.3 20.6 14 15 A F H >X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 3,-0.6 0.940 111.3 47.0 -61.3 -47.9 -13.2 69.4 20.1 15 16 A I H 3X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.837 103.3 62.0 -69.1 -31.1 -11.4 68.0 17.0 16 17 A E H 3< S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 114.9 36.0 -61.0 -32.6 -14.7 66.8 15.5 17 18 A K H S+ 0 0 49 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.905 115.8 52.5 -61.9 -37.7 -14.4 70.9 9.4 21 22 A W H < S+ 0 0 21 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.910 114.2 42.5 -61.7 -43.8 -14.3 74.5 10.7 22 23 A L H >X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-1.5 0.879 106.8 62.0 -70.7 -38.7 -10.7 74.7 9.6 23 24 A E H 3< S+ 0 0 28 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.832 104.9 48.9 -50.4 -38.9 -11.4 73.0 6.3 24 25 A D T 3< S+ 0 0 128 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.568 121.8 32.3 -79.7 -11.9 -13.7 75.8 5.4 25 26 A R T <4 S+ 0 0 131 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.608 111.7 49.6-122.6 -19.1 -11.2 78.6 6.3 26 27 A Y < - 0 0 46 -4,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.941 49.5-156.9-132.1 150.3 -7.7 77.5 5.6 27 28 A F S S+ 0 0 40 -2,-0.3 186,-2.7 1,-0.2 2,-0.4 0.455 85.8 55.8-102.8 -5.8 -5.8 75.9 2.7 28 29 A H E +B 212 0A 24 184,-0.2 24,-1.9 182,-0.0 2,-0.4 -0.978 63.6 155.4-131.7 116.0 -3.0 74.3 4.8 29 30 A I E -BC 211 51A 0 182,-2.5 182,-2.5 -2,-0.4 2,-0.4 -0.991 16.2-178.0-142.4 130.9 -3.8 72.0 7.7 30 31 A A E -BC 210 50A 1 20,-2.9 20,-2.8 -2,-0.4 2,-0.5 -0.977 4.2-179.4-130.8 120.3 -1.8 69.2 9.3 31 32 A Y E -BC 209 49A 7 178,-2.9 178,-2.1 -2,-0.4 2,-0.5 -0.982 6.3-168.1-121.2 117.7 -3.4 67.1 12.1 32 33 A L E -BC 208 48A 0 16,-2.9 16,-0.7 -2,-0.5 176,-0.2 -0.935 9.6-170.3-109.1 123.1 -1.2 64.4 13.7 33 34 A N E -B 207 0A 11 174,-2.6 174,-1.2 -2,-0.5 171,-0.2 -0.919 22.0-174.7-128.2 107.3 -3.2 62.1 15.9 34 35 A P > - 0 0 19 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.527 32.2-141.9 -76.2 -7.3 -1.7 59.5 18.3 35 36 A N T 3 - 0 0 39 1,-0.3 3,-0.1 2,-0.1 171,-0.1 0.823 62.4 -60.6 53.2 38.3 -5.2 58.1 19.2 36 37 A G T 3 S+ 0 0 55 1,-0.2 2,-2.2 169,-0.1 -1,-0.3 0.697 85.8 150.4 63.7 20.2 -4.2 57.5 22.8 37 38 A Y X + 0 0 8 -3,-1.9 3,-1.4 1,-0.2 7,-0.4 -0.442 13.1 158.2 -76.8 67.6 -1.4 55.0 22.1 38 39 A T T 3 + 0 0 140 -2,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.712 64.5 53.7 -72.8 -21.2 0.3 56.2 25.2 39 40 A A T 3 S+ 0 0 59 -3,-0.2 -1,-0.3 241,-0.1 3,-0.1 0.316 75.8 133.7 -93.6 7.6 2.4 53.0 25.6 40 41 A Y S X S- 0 0 6 -3,-1.4 3,-2.5 1,-0.1 2,-0.2 -0.303 70.6 -97.7 -62.5 138.6 3.9 53.2 22.1 41 42 A P T 3 S- 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.413 108.5 -0.5 -63.5 126.0 7.7 52.6 22.1 42 43 A Q T 3 S- 0 0 98 -2,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.496 131.4 -73.8 70.3 9.6 9.5 56.0 22.0 43 44 A G < - 0 0 28 -3,-2.5 3,-0.1 -6,-0.1 -5,-0.1 0.194 48.3 -98.6 87.6 150.7 6.0 57.6 21.9 44 45 A A S S- 0 0 14 -7,-0.4 162,-0.2 1,-0.3 3,-0.1 -0.111 70.6 -47.8 -81.8-170.9 3.3 57.8 19.2 45 46 A F - 0 0 5 160,-2.0 -1,-0.3 -12,-0.1 -8,-0.1 -0.314 64.5-103.5 -55.2 143.2 2.9 61.0 17.1 46 47 A R - 0 0 124 -3,-0.1 2,-1.5 1,-0.1 -1,-0.1 -0.443 38.0-113.5 -53.7 144.9 2.8 64.3 19.0 47 48 A H + 0 0 30 73,-0.2 73,-2.6 -14,-0.1 2,-0.4 -0.666 57.4 162.5 -90.7 81.8 -0.8 65.4 19.0 48 49 A Y E -CD 32 119A 8 -2,-1.5 -16,-2.9 -16,-0.7 2,-0.4 -0.863 30.8-171.1-110.2 140.3 -0.4 68.5 16.8 49 50 A L E +CD 31 118A 0 69,-2.6 69,-2.8 -2,-0.4 2,-0.4 -0.981 18.2 174.9-125.4 113.9 -2.8 70.6 14.9 50 51 A A E +CD 30 117A 0 -20,-2.8 -20,-2.9 -2,-0.4 2,-0.3 -0.960 5.7 160.3-122.7 136.8 -1.1 73.1 12.6 51 52 A F E +CD 29 116A 0 65,-2.2 65,-2.4 -2,-0.4 64,-0.9 -0.992 33.7 32.1-159.7 164.6 -2.8 75.4 10.2 52 53 A G - 0 0 4 -24,-1.9 2,-0.3 -2,-0.3 63,-0.2 -0.074 68.0-125.7 69.1 175.3 -2.6 78.5 8.1 53 54 A S - 0 0 43 61,-0.3 3,-0.1 62,-0.1 -1,-0.1 -0.976 32.3-168.0-158.5 145.1 0.8 79.6 6.7 54 55 A E S S+ 0 0 109 59,-2.5 2,-0.3 1,-0.4 -1,-0.1 0.516 97.4 14.8 -97.3 -14.4 3.3 82.3 6.4 55 56 A A E +L 113 0B 22 58,-0.9 58,-2.6 2,-0.0 -1,-0.4 -0.954 68.8 176.0-155.0 139.9 5.1 80.4 3.7 56 57 A A E -L 112 0B 43 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.987 6.4-169.7-148.1 140.6 4.0 77.4 1.5 57 58 A I E -L 111 0B 62 54,-2.5 54,-2.1 -2,-0.3 2,-0.5 -0.999 7.3-162.1-136.9 130.9 5.7 75.6 -1.3 58 59 A H E -L 110 0B 76 -2,-0.4 2,-0.5 52,-0.2 52,-0.2 -0.961 14.2-157.6-112.7 117.9 4.2 72.9 -3.7 59 60 A V E +L 109 0B 11 50,-2.9 49,-2.5 -2,-0.5 50,-1.3 -0.890 20.9 171.1-101.7 125.8 6.8 70.9 -5.5 60 61 A S + 0 0 107 -2,-0.5 2,-0.8 47,-0.2 -1,-0.1 0.652 62.0 80.2-101.2 -22.7 5.9 69.1 -8.8 61 62 A D > - 0 0 72 1,-0.1 3,-2.1 48,-0.1 -1,-0.1 -0.784 66.5-157.2 -93.6 108.5 9.4 68.0 -9.8 62 63 A A T 3 S+ 0 0 17 -2,-0.8 3,-0.4 1,-0.3 29,-0.2 0.529 88.7 63.8 -65.1 -8.8 10.2 64.9 -7.9 63 64 A T T 3 S+ 0 0 77 1,-0.2 -1,-0.3 29,-0.1 4,-0.2 0.514 99.6 55.9 -86.7 -5.3 14.0 65.4 -8.3 64 65 A R S <> S+ 0 0 88 -3,-2.1 4,-2.4 1,-0.1 5,-0.2 0.201 71.2 106.5-114.0 14.9 13.8 68.7 -6.3 65 66 A V H > S+ 0 0 0 -3,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.942 88.3 33.6 -62.9 -50.8 12.2 67.4 -3.1 66 67 A F H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.828 114.6 58.7 -82.0 -26.9 15.3 67.6 -0.8 67 68 A E H > S+ 0 0 93 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.949 111.3 42.9 -57.8 -49.5 16.7 70.6 -2.6 68 69 A T H X S+ 0 0 11 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.917 111.4 54.5 -64.7 -44.0 13.6 72.5 -1.7 69 70 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.939 109.8 47.7 -56.3 -46.7 13.5 71.1 1.8 70 71 A N H X S+ 0 0 60 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.901 110.9 51.8 -61.2 -40.1 17.1 72.4 2.4 71 72 A E H X S+ 0 0 106 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.914 111.9 44.5 -64.9 -43.2 16.2 75.8 1.0 72 73 A I H X S+ 0 0 9 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.896 111.7 53.0 -73.0 -36.4 13.1 76.3 3.2 73 74 A K H < S+ 0 0 33 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.895 108.6 51.2 -62.3 -39.6 15.0 75.0 6.3 74 75 A K H < S+ 0 0 75 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.877 113.5 44.8 -63.3 -38.7 17.8 77.6 5.6 75 76 A G H < S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.728 120.3 40.5 -76.7 -22.6 15.2 80.4 5.3 76 77 A Y S >< S+ 0 0 67 -4,-1.5 3,-0.7 -5,-0.1 -1,-0.2 -0.608 72.9 167.4-133.4 68.1 13.3 79.3 8.4 77 78 A T T 3 S+ 0 0 86 -3,-0.5 3,-0.1 1,-0.2 -3,-0.1 -0.503 71.6 19.6 -76.3 148.9 15.7 78.2 11.1 78 79 A N T 3 S+ 0 0 126 1,-0.2 2,-0.3 267,-0.2 -1,-0.2 0.869 108.0 114.1 58.3 40.3 14.3 77.8 14.6 79 80 A E S < S- 0 0 38 -3,-0.7 2,-0.3 266,-0.3 -1,-0.2 -0.903 73.1 -99.0-138.5 159.9 10.8 77.4 13.1 80 81 A W - 0 0 15 -2,-0.3 2,-0.4 34,-0.2 265,-0.2 -0.681 36.1-176.4 -77.9 134.6 8.0 74.9 12.6 81 82 A I E -M 344 0B 0 263,-2.5 263,-2.3 -2,-0.3 2,-0.4 -0.983 10.9-159.7-133.8 123.0 7.9 73.2 9.2 82 83 A F E -MN 343 112B 3 30,-2.7 30,-2.2 -2,-0.4 2,-0.4 -0.892 21.9-169.1-104.3 132.5 5.1 70.7 8.2 83 84 A V E -MN 342 111B 3 259,-2.5 259,-2.2 -2,-0.4 2,-0.4 -0.954 26.1-173.0-133.8 137.4 6.1 68.4 5.4 84 85 A F E -MN 341 110B 0 26,-2.3 26,-2.5 -2,-0.4 2,-0.4 -0.998 13.5-176.0-120.5 131.4 4.7 65.9 2.9 85 86 A A E -MN 340 109B 0 255,-2.5 255,-2.3 -2,-0.4 24,-0.2 -0.988 17.4-138.5-127.8 123.2 7.1 64.0 0.7 86 87 A S > - 0 0 2 22,-2.7 3,-2.0 -2,-0.4 4,-0.1 -0.316 27.0-110.1 -69.8 161.3 5.8 61.6 -2.0 87 88 A Y G > S+ 0 0 4 248,-2.5 3,-2.0 250,-0.3 -1,-0.1 0.847 116.5 70.5 -58.1 -33.0 7.5 58.2 -2.6 88 89 A D G > S+ 0 0 16 247,-0.5 3,-2.4 1,-0.3 -1,-0.3 0.621 70.9 88.9 -65.6 -9.9 8.7 59.6 -5.9 89 90 A G G X + 0 0 0 -3,-2.0 3,-2.1 1,-0.3 -1,-0.3 0.600 64.5 86.9 -57.9 -12.0 11.1 61.8 -3.8 90 91 A K G X> S+ 0 0 2 -3,-2.0 4,-2.3 1,-0.3 3,-1.6 0.809 75.7 66.4 -52.4 -30.3 13.3 58.8 -4.3 91 92 A N G <4 S+ 0 0 20 -3,-2.4 -1,-0.3 1,-0.3 5,-0.2 0.521 98.0 52.9 -74.2 -6.8 14.3 60.6 -7.6 92 93 A S G <4 S+ 0 0 18 -3,-2.1 -1,-0.3 -30,-0.2 -2,-0.2 0.359 112.7 43.3 -99.0 -7.4 15.9 63.2 -5.3 93 94 A V T <4 S+ 0 0 23 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.752 123.5 15.9-105.9 -40.3 17.9 60.6 -3.4 94 95 A E S < S- 0 0 68 -4,-2.3 2,-1.9 226,-0.0 -1,-0.3 -0.830 90.6 -88.4-130.3 168.2 19.2 58.4 -6.2 95 96 A Q S S+ 0 0 91 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.585 80.0 134.3 -78.9 81.5 19.6 58.5 -10.0 96 97 A L - 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