==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-SEP-01 1K0G . COMPND 2 MOLECULE: P-AMINOBENZOATE SYNTHASE COMPONENT I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.F.PARSONS,P.Y.JENSEN,A.S.PACHIKARA,A.J.HOWARD, . 837 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 234 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 . 3 0.4 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 . 79 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 1 1 3 2 1 2 3 3 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 6 11 8 8 6 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 2 2 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 M 0 0 113 0, 0.0 2,-1.2 0, 0.0 91,-0.1 0.000 360.0 360.0 360.0 121.9 42.6 40.5 -2.9 2 2 A K B +a 92 0A 118 89,-1.8 91,-3.9 1,-0.2 88,-0.0 -0.572 360.0 162.5 -86.4 107.3 44.7 38.2 -0.7 3 3 A T + 0 0 90 -2,-1.2 92,-0.6 89,-0.2 -1,-0.2 0.576 27.7 131.0-100.2 -0.7 45.5 35.3 -2.6 4 4 A L - 0 0 143 90,-0.2 89,-0.1 1,-0.1 3,-0.1 -0.159 64.4-115.1 -46.1 137.4 48.3 34.1 -0.4 5 5 A S - 0 0 75 89,-0.1 -1,-0.1 1,-0.1 91,-0.1 -0.361 41.8 -94.9 -70.5 162.6 48.0 30.5 0.4 6 6 A P - 0 0 5 0, 0.0 151,-0.3 0, 0.0 2,-0.2 -0.465 42.4-103.8 -74.4 154.5 47.4 30.0 4.1 7 7 A A E -B 156 0B 48 149,-2.6 149,-2.2 151,-0.3 2,-0.4 -0.555 43.2-156.4 -76.3 146.6 50.5 29.3 6.3 8 8 A V E -B 155 0B 64 147,-0.2 2,-0.4 -2,-0.2 147,-0.2 -0.969 21.4-175.2-130.7 139.5 50.7 25.6 7.2 9 9 A I E -B 154 0B 37 145,-3.0 145,-2.7 -2,-0.4 2,-0.3 -0.982 21.4-140.4-120.6 139.4 52.4 23.6 10.0 10 10 A T E -B 153 0B 99 -2,-0.4 2,-0.3 143,-0.2 143,-0.2 -0.788 15.1-158.3-101.9 152.2 52.2 19.8 9.9 11 11 A L E -B 152 0B 13 141,-2.6 141,-0.7 -2,-0.3 3,-0.1 -0.757 38.1 -72.9-118.4 159.5 51.7 17.9 13.2 12 12 A L - 0 0 31 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.237 54.7-107.7 -63.9 148.0 52.6 14.4 13.9 13 13 A W + 0 0 4 584,-0.4 2,-0.3 137,-0.1 -1,-0.1 -0.393 43.1 166.6 -71.7 142.0 50.5 11.8 12.3 14 14 A R > - 0 0 9 -2,-0.1 3,-1.9 -3,-0.1 4,-0.2 -0.973 42.0-127.2-152.1 140.1 48.2 9.8 14.4 15 15 A Q T 3 S+ 0 0 33 -2,-0.3 -2,-0.1 1,-0.3 586,-0.0 0.389 111.5 39.9 -72.6 10.6 45.3 7.5 13.2 16 16 A D T 3> S+ 0 0 8 2,-0.1 4,-2.6 1,-0.0 -1,-0.3 -0.032 75.4 130.5-137.7 20.4 42.9 9.4 15.6 17 17 A A H <> + 0 0 1 -3,-1.9 4,-3.1 1,-0.2 5,-0.4 0.863 66.5 54.3 -52.3 -45.0 44.0 12.8 15.1 18 18 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 114.5 39.6 -60.2 -47.6 40.8 14.5 14.4 19 19 A E H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 114.6 56.9 -66.4 -29.7 39.1 13.2 17.6 20 20 A F H X S+ 0 0 1 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.951 114.1 34.9 -65.3 -52.1 42.3 13.8 19.5 21 21 A Y H < S+ 0 0 0 -4,-3.1 3,-0.2 -5,-0.2 -2,-0.2 0.864 121.7 48.5 -72.3 -34.6 42.6 17.5 18.6 22 22 A F H >X S+ 0 0 0 -4,-2.6 3,-2.8 -5,-0.4 4,-0.9 0.831 92.3 76.9 -80.0 -26.2 38.8 18.0 18.8 23 23 A S H >< S+ 0 0 28 -4,-2.6 3,-0.8 1,-0.3 4,-0.2 0.914 97.8 47.0 -38.3 -51.8 38.2 16.2 22.2 24 24 A R T 3< S+ 0 0 17 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.583 116.1 44.2 -81.3 3.4 39.5 19.2 24.0 25 25 A L T X4 S+ 0 0 0 -3,-2.8 3,-2.6 -4,-0.1 -1,-0.2 0.483 80.4 101.4-112.4 -4.0 37.4 21.7 21.9 26 26 A S T << S+ 0 0 2 -4,-0.9 -2,-0.1 -3,-0.8 -3,-0.1 0.594 81.1 50.4 -67.7 -11.9 34.1 19.9 21.9 27 27 A H T 3 S+ 0 0 105 -4,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.436 87.2 100.1 -99.9 4.3 32.5 22.1 24.6 28 28 A L S X S- 0 0 56 -3,-2.6 3,-2.7 2,-0.0 218,-0.2 -0.705 81.3-117.0 -88.4 129.1 33.4 25.3 22.9 29 29 A P T 3 S+ 0 0 66 0, 0.0 23,-0.4 0, 0.0 218,-0.2 -0.426 102.8 22.5 -56.8 136.8 30.5 26.9 21.0 30 30 A W T 3 S+ 0 0 13 216,-2.9 2,-0.4 1,-0.4 217,-0.1 0.404 87.8 133.9 75.4 5.4 31.4 27.1 17.3 31 31 A A < - 0 0 0 -3,-2.7 215,-3.1 215,-0.3 2,-0.4 -0.627 37.0-179.1 -75.8 129.6 33.9 24.3 17.7 32 32 A M E -CD 50 245B 1 18,-3.0 18,-2.6 -2,-0.4 2,-0.4 -0.990 21.9-165.7-141.6 144.8 33.1 21.9 14.7 33 33 A L E -CD 49 244B 0 211,-2.6 211,-2.9 -2,-0.4 2,-0.6 -0.999 8.1-165.7-128.6 127.6 34.4 18.7 13.3 34 34 A L E -CD 48 243B 0 14,-2.3 14,-2.5 -2,-0.4 2,-0.4 -0.957 23.6-170.9-103.1 117.0 33.7 17.1 9.9 35 35 A H E - D 0 242B 0 207,-2.2 207,-1.2 -2,-0.6 12,-0.2 -0.924 26.8-147.8-115.5 135.4 34.9 13.4 10.3 36 36 A S > - 0 0 0 -2,-0.4 3,-2.6 205,-0.2 205,-0.1 0.302 43.3-119.1 -86.6 18.0 35.2 10.9 7.4 37 37 A G T 3 - 0 0 0 1,-0.3 3,-0.1 203,-0.1 -1,-0.1 0.590 53.2 -79.4 66.3 16.5 34.2 8.1 9.8 38 38 A Y T 3 S+ 0 0 45 1,-0.2 -1,-0.3 6,-0.1 2,-0.1 0.663 86.8 163.7 67.5 21.4 37.5 6.4 9.2 39 39 A A < - 0 0 15 -3,-2.6 2,-0.4 200,-0.2 -1,-0.2 -0.344 42.6-126.2 -75.3 147.1 35.8 5.2 5.9 40 40 A D + 0 0 169 -2,-0.1 -1,-0.1 -3,-0.1 5,-0.1 0.190 68.2 95.5 -82.3 29.7 38.1 3.8 3.2 41 41 A H S > S- 0 0 85 -2,-0.4 3,-1.2 3,-0.1 -2,-0.0 -0.605 81.0-105.6-118.7 180.0 37.1 6.0 -0.0 42 42 A P G > S+ 0 0 111 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.786 122.1 52.3 -69.3 -21.2 38.2 9.1 -2.0 43 43 A Y G 3 S+ 0 0 28 1,-0.2 3,-0.1 2,-0.1 -4,-0.1 0.264 107.9 50.9 -96.6 9.9 35.3 10.9 -0.6 44 44 A S G < S+ 0 0 1 -3,-1.2 -1,-0.2 -5,-0.1 -6,-0.1 -0.180 75.3 113.2-130.2 35.5 36.2 10.0 2.9 45 45 A R < + 0 0 27 797,-0.9 102,-2.9 -3,-0.5 103,-0.4 0.825 66.3 57.1 -75.9 -34.4 39.8 11.1 2.7 46 46 A F E - E 0 146B 12 796,-2.6 2,-0.4 100,-0.2 100,-0.2 -0.766 47.8-166.8-116.5 151.1 39.6 14.1 5.2 47 47 A D E - E 0 145B 2 98,-1.9 98,-3.0 -2,-0.3 2,-0.4 -0.970 21.1-163.0-117.9 141.9 38.8 15.1 8.7 48 48 A I E -CE 34 144B 0 -14,-2.5 -14,-2.3 -2,-0.4 2,-0.4 -0.987 6.5-171.5-129.4 130.6 38.4 18.9 9.3 49 49 A V E +CE 33 143B 0 94,-3.0 94,-2.6 -2,-0.4 2,-0.3 -0.987 10.9 166.2-123.4 135.1 38.5 20.6 12.6 50 50 A V E +C 32 0B 0 -18,-2.6 -18,-3.0 -2,-0.4 2,-0.3 -0.935 0.5 159.4-135.9 161.6 37.7 24.3 13.2 51 51 A A + 0 0 0 -2,-0.3 -20,-0.2 -20,-0.3 90,-0.2 -0.955 50.3 43.2-165.8 170.8 36.9 26.5 16.3 52 52 A E S S- 0 0 81 -23,-0.4 88,-0.3 -2,-0.3 -1,-0.2 0.973 70.9-152.4 51.0 62.9 37.0 30.1 17.4 53 53 A P - 0 0 27 0, 0.0 86,-0.2 0, 0.0 3,-0.1 -0.302 16.1-141.1 -63.0 149.4 35.4 31.7 14.5 54 54 A I S S+ 0 0 59 84,-2.4 2,-0.3 1,-0.3 15,-0.2 0.721 91.4 13.8 -80.2 -16.6 36.3 35.4 13.7 55 55 A C E S-M 138 0C 4 83,-1.1 83,-2.4 13,-0.1 2,-0.3 -0.976 70.8-157.2-153.4 142.0 32.7 35.9 12.7 56 56 A T E -MN 137 67C 13 11,-2.8 11,-3.0 -2,-0.3 2,-0.4 -0.914 4.0-156.4-127.0 158.5 29.5 34.0 13.2 57 57 A L E -MN 136 66C 0 79,-2.6 79,-3.0 -2,-0.3 2,-0.5 -0.987 11.4-178.0-131.9 120.2 26.1 33.9 11.3 58 58 A T E -MN 135 65C 16 7,-2.0 7,-2.5 -2,-0.4 2,-0.6 -0.947 5.3-168.1-122.4 114.0 23.0 32.8 13.1 59 59 A T E +MN 134 64C 0 75,-3.0 74,-2.4 -2,-0.5 75,-1.2 -0.879 11.5 174.1-107.2 131.5 19.7 32.6 11.2 60 60 A F E > - N 0 63C 71 3,-2.9 3,-2.4 -2,-0.6 2,-0.1 -0.958 66.5 -56.9-131.3 113.0 16.4 32.1 12.9 61 61 A G T 3 S- 0 0 35 -2,-0.5 56,-0.0 1,-0.3 -1,-0.0 -0.305 124.5 -3.7 51.7-120.8 13.6 32.5 10.4 62 62 A K T 3 S+ 0 0 161 -3,-0.1 2,-0.5 -2,-0.1 -1,-0.3 0.607 121.3 81.0 -80.0 -10.6 13.7 35.8 8.7 63 63 A E E < -N 60 0C 75 -3,-2.4 -3,-2.9 11,-0.1 2,-0.6 -0.768 52.3-170.2-113.3 141.7 16.6 37.1 10.6 64 64 A T E -NO 59 75C 0 11,-3.1 11,-2.3 -2,-0.5 2,-0.6 -0.967 9.5-157.4-118.3 123.0 20.2 36.6 10.4 65 65 A V E -NO 58 74C 30 -7,-2.5 -7,-2.0 -2,-0.6 2,-0.7 -0.816 6.1-165.5 -95.8 115.8 22.5 37.9 13.1 66 66 A V E -NO 57 73C 13 7,-3.3 7,-2.4 -2,-0.6 2,-0.5 -0.900 12.8-171.0-104.4 114.2 26.1 38.4 11.9 67 67 A S E +NO 56 72C 38 -11,-3.0 -11,-2.8 -2,-0.7 2,-0.4 -0.940 16.3 168.2-124.9 134.2 28.4 38.8 14.9 68 68 A E E > - O 0 71C 83 3,-3.0 3,-3.0 -2,-0.5 2,-0.3 -0.899 63.4 -58.6-147.5 104.3 32.0 39.8 14.9 69 69 A S T 3 S- 0 0 104 -2,-0.4 -1,-0.0 1,-0.3 -14,-0.0 -0.379 122.3 -14.1 58.7-115.9 33.7 40.6 18.1 70 70 A E T 3 S+ 0 0 151 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.617 120.0 95.1 -92.1 -8.8 31.8 43.4 19.6 71 71 A K E < -O 68 0C 97 -3,-3.0 -3,-3.0 2,-0.0 2,-0.4 -0.603 50.3-178.1 -89.9 143.0 30.0 44.1 16.4 72 72 A R E -O 67 0C 167 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.984 1.8-177.7-141.5 127.5 26.6 42.7 15.8 73 73 A T E -O 66 0C 79 -7,-2.4 -7,-3.3 -2,-0.4 2,-0.4 -0.965 8.1-161.3-126.9 137.6 24.4 43.1 12.7 74 74 A T E +O 65 0C 69 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.953 18.3 167.6-123.6 140.1 20.9 41.8 12.1 75 75 A T E -O 64 0C 27 -11,-2.3 -11,-3.1 -2,-0.4 7,-0.0 -0.999 38.8-148.2-153.7 157.9 19.5 41.5 8.6 76 76 A T + 0 0 79 -2,-0.3 -1,-0.1 -13,-0.2 -11,-0.1 0.352 61.8 121.7-105.1 6.4 16.6 40.0 6.8 77 77 A D S S- 0 0 68 1,-0.2 -2,-0.1 -13,-0.1 -13,-0.1 -0.236 84.3 -67.8 -62.6 160.5 18.6 39.4 3.5 78 78 A D > - 0 0 34 1,-0.2 4,-3.2 2,-0.1 5,-0.2 -0.250 47.3-137.8 -49.0 119.4 19.0 36.0 2.0 79 79 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.854 100.7 51.6 -61.3 -28.7 21.1 34.3 4.5 80 80 A L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.878 111.5 47.4 -78.0 -31.5 23.3 32.6 1.8 81 81 A Q H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.968 111.0 50.1 -69.3 -38.6 23.8 35.9 0.2 82 82 A V H X S+ 0 0 4 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.909 111.7 49.8 -59.8 -45.2 24.6 37.4 3.5 83 83 A L H X S+ 0 0 0 -4,-2.9 4,-3.2 -5,-0.2 5,-0.3 0.954 109.5 51.7 -53.8 -52.2 27.1 34.4 4.0 84 84 A Q H X S+ 0 0 26 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.867 109.9 48.1 -55.3 -41.5 28.5 35.2 0.5 85 85 A Q H X S+ 0 0 69 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.893 111.0 51.7 -67.0 -41.8 29.1 39.0 1.3 86 86 A V H X S+ 0 0 11 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.957 113.3 44.7 -62.2 -43.9 30.7 38.0 4.6 87 87 A L H >X>S+ 0 0 12 -4,-3.2 3,-0.8 1,-0.2 4,-0.6 0.942 114.7 48.5 -64.9 -37.8 33.0 35.7 2.8 88 88 A D H ><5S+ 0 0 52 -4,-2.5 3,-1.8 -5,-0.3 -1,-0.2 0.955 104.3 57.8 -67.8 -39.0 33.7 38.1 0.1 89 89 A R H 3<5S+ 0 0 154 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.800 91.4 71.2 -64.2 -19.4 34.5 40.9 2.4 90 90 A A H <<5S- 0 0 31 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.839 89.9-149.9 -68.5 -20.4 37.2 38.8 4.0 91 91 A D T <<5 + 0 0 71 -3,-1.8 -89,-1.8 -4,-0.6 2,-0.6 0.893 48.0 137.2 59.0 41.4 39.1 39.3 0.8 92 92 A I B < +a 2 0A 10 -5,-0.6 -1,-0.2 -91,-0.1 -89,-0.2 -0.944 17.0 156.4-120.9 118.7 40.8 36.1 1.2 93 93 A R + 0 0 90 -91,-3.9 276,-0.2 -2,-0.6 3,-0.0 -0.573 11.0 175.0-145.3 79.1 41.1 34.0 -1.9 94 94 A P - 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