==== 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 1K0E . 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, . 853 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 71.6 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 . 242 28.4 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 . 12 1.4 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 . 2 0.2 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 . 64 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 2 1 2 0 2 4 3 1 0 1 1 0 1 1 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 . 4 5 7 12 8 8 0 0 0 1 1 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 3 A T 0 0 75 0, 0.0 92,-0.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 137.8 -0.5 34.4 16.0 2 4 A L - 0 0 150 90,-0.1 3,-0.1 1,-0.1 89,-0.1 -0.325 360.0-120.0 -49.3 106.3 -1.4 34.7 12.5 3 5 A S - 0 0 71 -2,-0.2 -1,-0.1 1,-0.1 3,-0.0 0.028 38.2 -88.2 -51.7 162.2 0.8 32.2 10.8 4 6 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 151,-0.2 -0.388 39.0-106.9 -76.9 162.4 3.1 33.6 8.2 5 7 A A E -A 154 0A 49 149,-2.4 149,-1.8 151,-0.2 2,-0.4 -0.611 39.8-158.2 -80.4 142.0 2.2 34.0 4.6 6 8 A V E -A 153 0A 69 -2,-0.3 2,-0.5 147,-0.2 147,-0.2 -0.966 18.5-170.7-129.0 138.8 3.9 31.5 2.4 7 9 A I E -A 152 0A 37 145,-3.1 145,-2.6 -2,-0.4 2,-0.4 -0.975 21.6-140.1-116.6 129.8 4.7 31.4 -1.3 8 10 A T E -A 151 0A 95 -2,-0.5 143,-0.2 143,-0.2 2,-0.2 -0.702 23.5-153.0 -88.4 142.0 6.0 28.1 -2.6 9 11 A L E -A 150 0A 25 141,-3.7 141,-0.7 -2,-0.4 2,-0.1 -0.688 33.6 -70.2-108.5 163.2 8.8 28.7 -5.2 10 12 A L - 0 0 133 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.164 57.1-116.5 -50.7 129.3 10.0 26.6 -8.0 11 13 A W + 0 0 79 137,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.234 44.7 153.1 -69.5 141.5 11.7 23.4 -6.8 12 14 A R > - 0 0 96 1,-0.2 3,-1.7 -2,-0.1 4,-0.1 -0.913 47.8-126.1-158.1 138.5 15.4 22.7 -7.6 13 15 A Q T 3 S+ 0 0 103 -2,-0.3 3,-0.5 1,-0.3 -1,-0.2 0.888 111.1 44.2 -56.2 -43.5 17.8 20.5 -5.6 14 16 A D T 3> S+ 0 0 62 1,-0.2 4,-3.2 2,-0.1 -1,-0.3 -0.040 72.4 121.7 -90.9 31.2 20.3 23.5 -5.3 15 17 A A H <> + 0 0 0 -3,-1.7 4,-4.6 1,-0.2 5,-0.4 0.820 69.9 60.0 -61.9 -29.5 17.9 26.2 -4.5 16 18 A A H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.932 115.9 31.7 -60.7 -57.2 19.7 27.0 -1.3 17 19 A E H > S+ 0 0 23 2,-0.2 4,-3.1 3,-0.2 -2,-0.2 0.908 118.3 59.1 -63.7 -40.4 23.0 27.8 -3.0 18 20 A F H < S+ 0 0 70 -4,-3.2 4,-0.4 2,-0.2 -2,-0.2 0.982 116.5 28.9 -55.5 -67.0 21.0 29.1 -6.0 19 21 A Y H >< S+ 0 0 18 -4,-4.6 3,-1.1 1,-0.2 4,-0.3 0.868 118.9 57.1 -69.5 -29.6 19.1 31.8 -4.1 20 22 A F H >X S+ 0 0 0 -4,-2.4 3,-3.6 -5,-0.4 4,-1.6 0.902 87.9 75.3 -67.2 -38.7 21.7 32.4 -1.5 21 23 A S T 3< S+ 0 0 17 -4,-3.1 150,-0.3 1,-0.3 -1,-0.3 0.710 95.5 50.6 -48.6 -22.2 24.4 33.2 -4.0 22 24 A R T <4 S+ 0 0 36 -3,-1.1 -1,-0.3 -4,-0.4 147,-0.2 0.613 115.7 42.4 -90.6 -2.5 22.9 36.6 -4.5 23 25 A L T X4 S+ 0 0 0 -3,-3.6 3,-2.7 -4,-0.3 -2,-0.2 0.679 83.4 99.7-104.7 -23.3 22.8 37.3 -0.8 24 26 A S T 3< S+ 0 0 0 -4,-1.6 -3,-0.1 1,-0.3 -2,-0.1 0.517 83.2 48.4 -46.9 -19.2 26.2 35.9 0.2 25 27 A H T 3 S+ 0 0 117 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.535 87.8 102.9-101.7 -0.2 27.9 39.4 0.3 26 28 A L S X S- 0 0 58 -3,-2.7 3,-2.1 1,-0.1 218,-0.2 -0.648 79.5-116.2 -81.6 125.3 25.3 41.0 2.4 27 29 A P T 3 S+ 0 0 71 0, 0.0 23,-0.4 0, 0.0 218,-0.2 -0.251 103.8 21.7 -52.6 142.2 26.1 41.5 6.1 28 30 A W T 3 S+ 0 0 17 216,-2.1 2,-0.5 1,-0.3 217,-0.1 0.568 88.0 133.8 70.7 11.3 23.6 39.4 8.2 29 31 A A < - 0 0 0 -3,-2.1 215,-2.1 215,-0.4 2,-0.4 -0.800 35.5-179.3 -83.5 129.9 22.9 37.1 5.3 30 32 A M E -BC 48 243A 1 18,-2.1 18,-1.8 -2,-0.5 2,-0.4 -0.995 19.3-165.2-136.9 139.5 23.1 33.5 6.7 31 33 A L E -BC 47 242A 0 211,-2.5 211,-2.8 -2,-0.4 2,-0.6 -0.992 5.3-165.5-126.9 131.6 22.7 30.0 5.2 32 34 A L E -BC 46 241A 0 14,-2.4 14,-2.0 -2,-0.4 2,-0.5 -0.927 23.2-172.5-110.0 120.4 22.2 26.8 7.2 33 35 A H E - C 0 240A 0 207,-2.8 207,-1.5 -2,-0.6 12,-0.2 -0.937 30.3-146.6-126.6 133.1 22.9 24.0 4.8 34 36 A S > - 0 0 0 -2,-0.5 3,-1.5 205,-0.2 205,-0.1 0.293 44.4-119.3 -82.9 15.1 22.4 20.3 5.2 35 37 A G T 3 - 0 0 0 1,-0.3 3,-0.1 203,-0.1 204,-0.1 0.698 47.7 -83.0 64.1 22.9 25.3 19.6 3.0 36 38 A Y T 3 S+ 0 0 60 1,-0.2 -1,-0.3 6,-0.1 2,-0.1 0.847 84.6 176.8 49.3 37.4 23.4 17.6 0.4 37 39 A A < - 0 0 13 -3,-1.5 2,-0.8 5,-0.2 -1,-0.2 -0.655 46.3-134.6 -94.4 153.7 23.9 14.8 2.9 38 40 A D + 0 0 146 198,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.873 68.1 116.0 -86.1 97.4 22.8 11.3 3.0 39 41 A H S > S- 0 0 28 -2,-0.8 3,-0.8 1,-0.1 -5,-0.0 -0.960 77.3-113.0-169.8 153.6 21.7 11.4 6.6 40 42 A P T 3 S+ 0 0 90 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.733 115.0 43.6 -65.6 -25.4 18.7 11.2 8.9 41 43 A Y T 3 S+ 0 0 76 1,-0.2 3,-0.1 2,-0.1 -4,-0.1 -0.300 85.6 93.6-121.3 51.9 19.0 14.8 9.8 42 44 A S < + 0 0 14 -3,-0.8 -5,-0.2 1,-0.1 -1,-0.2 0.010 42.1 118.1-130.0 30.3 19.6 16.4 6.6 43 45 A R + 0 0 52 814,-0.4 102,-2.6 -3,-0.2 103,-0.4 0.792 66.0 49.7 -61.8 -40.6 16.2 17.4 5.5 44 46 A F E - D 0 144A 11 813,-2.4 2,-0.4 100,-0.2 100,-0.2 -0.849 42.8-171.2-128.1 156.3 16.5 21.2 5.4 45 47 A D E - D 0 143A 1 98,-1.8 98,-3.2 -2,-0.3 2,-0.4 -0.931 22.3-164.6-128.3 141.9 18.4 24.1 4.2 46 48 A I E -BD 32 142A 0 -14,-2.0 -14,-2.4 -2,-0.4 2,-0.4 -0.991 5.4-166.8-134.1 132.5 17.4 27.6 5.5 47 49 A V E +BD 31 141A 2 94,-2.8 94,-2.2 -2,-0.4 2,-0.3 -0.968 12.0 164.8-121.5 140.2 18.2 31.1 4.2 48 50 A V E +B 30 0A 0 -18,-1.8 -18,-2.1 -2,-0.4 2,-0.3 -0.907 3.3 153.2-143.8 163.6 17.8 34.5 5.9 49 51 A A + 0 0 0 -2,-0.3 -20,-0.2 -20,-0.3 90,-0.1 -0.869 51.6 50.5-176.8 169.1 19.0 38.0 5.3 50 52 A E S S- 0 0 83 -23,-0.4 -1,-0.1 -2,-0.3 -22,-0.1 0.948 72.0-158.4 55.9 59.8 17.8 41.6 6.1 51 53 A P - 0 0 28 0, 0.0 86,-0.3 0, 0.0 -1,-0.1 -0.458 21.1-141.5 -74.8 153.9 17.0 41.2 9.7 52 54 A I S S+ 0 0 72 84,-2.1 15,-0.4 1,-0.2 2,-0.3 0.516 89.3 16.7 -88.0 -7.8 14.6 43.5 11.4 53 55 A C E -K 136 0B 5 83,-1.3 83,-2.8 13,-0.1 2,-0.3 -0.956 68.9-161.4-154.8 140.0 16.8 43.5 14.6 54 56 A T E -KL 135 65B 18 11,-2.2 11,-2.3 -2,-0.3 2,-0.4 -0.907 3.5-157.1-127.0 160.6 20.4 42.4 15.3 55 57 A L E -KL 134 64B 0 79,-2.7 79,-2.4 -2,-0.3 2,-0.5 -0.988 9.1-176.6-133.9 127.9 22.3 41.5 18.5 56 58 A T E -KL 133 63B 17 7,-2.2 7,-2.3 -2,-0.4 2,-0.5 -0.977 4.1-167.9-126.6 116.5 25.9 41.7 18.9 57 59 A T E +KL 132 62B 0 75,-2.8 74,-2.9 -2,-0.5 75,-1.3 -0.901 11.3 172.8-107.3 126.2 27.8 40.7 22.1 58 60 A F E > - L 0 61B 77 3,-2.0 3,-1.6 -2,-0.5 -2,-0.0 -0.978 67.6 -56.9-122.2 113.4 31.4 41.5 22.7 59 61 A G T 3 S- 0 0 18 -2,-0.5 56,-0.0 1,-0.3 -1,-0.0 -0.149 123.1 -1.8 57.8-133.1 32.3 40.4 26.2 60 62 A K T 3 S+ 0 0 148 -3,-0.1 2,-0.4 16,-0.0 -1,-0.3 0.516 120.5 72.0 -73.1 -3.7 30.2 42.0 28.8 61 63 A E E < -L 58 0B 88 -3,-1.6 -3,-2.0 11,-0.0 2,-0.4 -0.974 55.7-161.9-126.5 138.1 28.0 44.2 26.5 62 64 A T E -LM 57 73B 0 11,-2.5 11,-1.9 -2,-0.4 2,-0.5 -0.971 10.4-150.5-116.0 131.5 25.2 43.4 24.0 63 65 A V E -LM 56 72B 25 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.5 -0.944 7.8-163.4-106.9 123.1 24.1 45.9 21.3 64 66 A V E -LM 55 71B 7 7,-2.1 7,-2.3 -2,-0.5 2,-0.5 -0.905 15.9-170.7-108.3 118.0 20.5 45.6 20.3 65 67 A S E +LM 54 70B 40 -11,-2.3 -11,-2.2 -2,-0.5 2,-0.3 -0.941 16.5 149.4-130.7 127.1 19.9 47.3 17.1 66 68 A E E > - M 0 69B 63 3,-3.6 3,-0.6 -2,-0.5 -13,-0.1 -0.778 56.0 -74.3-136.9 179.0 16.8 48.3 15.0 67 69 A S T 3 S+ 0 0 105 -15,-0.4 -14,-0.0 1,-0.3 3,-0.0 0.872 124.1 7.7 -24.5 -73.6 15.6 50.9 12.6 68 70 A E T 3 S+ 0 0 172 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.185 124.9 59.2-111.8 10.1 15.1 53.7 14.8 69 71 A K E < -M 66 0B 111 -3,-0.6 -3,-3.6 2,-0.0 2,-0.4 -0.981 45.0-179.5-151.1 141.6 16.6 52.4 18.1 70 72 A R E +M 65 0B 154 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.982 14.2 176.3-134.2 122.6 19.9 51.2 19.4 71 73 A T E -M 64 0B 75 -7,-2.3 -7,-2.1 -2,-0.4 2,-0.3 -0.853 16.0-150.3-122.4 158.8 20.3 50.1 23.0 72 74 A T E +M 63 0B 63 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.918 19.0 177.8-123.8 160.4 23.3 48.5 24.9 73 75 A T E -M 62 0B 26 -11,-1.9 -11,-2.5 -2,-0.3 7,-0.0 -0.982 34.9-153.5-161.9 143.4 23.0 46.2 27.9 74 76 A T + 0 0 99 -2,-0.3 -1,-0.1 -13,-0.2 -13,-0.0 0.454 61.9 120.9 -95.6 1.1 25.1 44.2 30.2 75 77 A D S S- 0 0 78 1,-0.2 -2,-0.1 -13,-0.1 -13,-0.1 -0.259 83.2 -66.5 -64.2 161.1 22.3 41.7 30.9 76 78 A D > - 0 0 34 1,-0.1 4,-2.6 4,-0.1 5,-0.3 -0.079 48.5-135.5 -35.2 119.0 22.6 37.9 30.2 77 79 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.908 102.4 45.9 -62.2 -34.7 22.9 37.7 26.3 78 80 A L H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.904 112.9 50.8 -77.7 -28.7 20.4 34.7 25.9 79 81 A Q H > S+ 0 0 85 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.870 112.4 47.4 -61.8 -43.9 18.0 36.4 28.3 80 82 A V H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.976 110.4 51.7 -59.9 -48.2 18.3 39.5 26.2 81 83 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.926 110.8 48.1 -56.1 -40.2 17.8 37.5 23.0 82 84 A Q H X S+ 0 0 23 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.879 108.9 53.4 -70.7 -34.7 14.6 35.9 24.4 83 85 A Q H X S+ 0 0 82 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.957 109.5 46.7 -67.0 -45.5 13.3 39.2 25.5 84 86 A V H X S+ 0 0 6 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.927 113.1 53.8 -48.9 -50.7 13.8 40.7 21.9 85 87 A L H ><>S+ 0 0 9 -4,-2.4 3,-1.1 -5,-0.3 5,-0.5 0.957 111.5 42.8 -54.2 -54.2 12.1 37.4 20.7 86 88 A D H ><5S+ 0 0 79 -4,-3.1 3,-1.9 1,-0.3 -2,-0.2 0.900 108.3 57.3 -67.2 -35.9 9.0 37.9 22.9 87 89 A R H 3<5S+ 0 0 125 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.705 89.2 72.8 -72.3 -8.0 8.6 41.5 22.3 88 90 A A T <<5S- 0 0 36 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.664 95.0-145.0 -71.5 -11.0 8.3 40.9 18.5 89 91 A D T < 5 + 0 0 131 -3,-1.9 2,-0.6 -4,-0.3 -2,-0.1 0.816 52.5 134.3 53.4 44.9 4.8 39.5 19.5 90 92 A I < + 0 0 25 -5,-0.5 -1,-0.2 -4,-0.1 -2,-0.1 -0.937 18.8 155.7-118.5 115.3 5.1 36.9 16.9 91 93 A R - 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