==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-OCT-03 1R52 . COMPND 2 MOLECULE: CHORISMATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.QUEVILLON-CHERUEL,N.LEULLIOT,P.MEYER,M.GRAILLE,M.BREMANG, . 1130 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 238 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 . 35 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 8 4 0 0 4 4 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 10 22 6 0 4 4 4 4 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 . 4 4 0 4 0 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 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 31 0, 0.0 468,-2.7 0, 0.0 469,-0.6 0.000 360.0 360.0 360.0 158.3 14.6 -2.1 -14.4 2 2 A S + 0 0 2 466,-0.2 10,-1.1 467,-0.1 2,-0.4 0.254 360.0 88.8-110.2 0.6 12.6 1.1 -14.5 3 3 A T E -A 11 0A 14 8,-0.2 2,-0.5 6,-0.1 8,-0.2 -0.863 58.9-167.6-103.6 135.6 9.5 -0.6 -15.8 4 4 A F E +A 10 0A 14 6,-2.3 6,-1.4 -2,-0.4 2,-0.1 -0.977 43.9 15.3-128.2 123.6 7.0 -2.1 -13.4 5 5 A G - 0 0 31 -2,-0.5 4,-0.1 4,-0.2 5,-0.1 -0.252 62.8-110.1 108.0 169.6 4.2 -4.4 -14.3 6 6 A K S S- 0 0 44 2,-0.2 3,-0.2 -2,-0.1 -1,-0.1 0.866 102.5 -1.1-102.6 -58.5 3.1 -6.6 -17.1 7 7 A L S S+ 0 0 0 1,-0.2 2,-1.0 270,-0.1 270,-0.1 0.750 134.3 51.6-105.3 -40.6 -0.1 -5.2 -18.7 8 8 A F S S- 0 0 1 265,-0.1 2,-0.3 19,-0.1 -1,-0.2 -0.825 88.0-176.8 -94.3 95.1 -0.5 -2.0 -16.6 9 9 A R E - B 0 26A 9 17,-2.5 17,-2.2 -2,-1.0 2,-0.3 -0.698 22.0-171.3-104.4 148.5 3.1 -0.7 -16.9 10 10 A V E -AB 4 25A 0 -6,-1.4 -6,-2.3 -2,-0.3 2,-0.4 -0.997 2.6-171.4-132.2 134.2 4.9 2.3 -15.5 11 11 A T E -AB 3 24A 2 13,-1.7 13,-2.3 -2,-0.3 2,-0.3 -0.978 15.7-164.8-123.2 137.5 8.4 3.4 -16.6 12 12 A T E + B 0 23A 11 -10,-1.1 2,-0.3 -2,-0.4 11,-0.3 -0.817 15.4 178.4-130.0 165.1 10.1 6.1 -14.5 13 13 A Y E + B 0 22A 21 9,-2.1 9,-1.9 -2,-0.3 2,-0.1 -0.976 17.0 131.5-159.8 146.9 13.0 8.6 -14.7 14 14 A G E - B 0 21A 16 -2,-0.3 7,-0.2 914,-0.3 903,-0.1 -0.343 20.7-175.1 156.5 123.1 14.5 11.2 -12.5 15 15 A E - 0 0 37 5,-0.5 2,-0.1 901,-0.4 6,-0.1 0.951 31.0-134.8 -93.5 -59.0 17.8 12.3 -11.2 16 16 A S S S+ 0 0 95 4,-0.3 4,-0.2 2,-0.0 -1,-0.1 -0.594 99.9 61.9 128.0 -64.9 17.4 15.3 -8.8 17 17 A H S S+ 0 0 92 -2,-0.1 2,-0.1 2,-0.1 3,-0.0 0.743 98.2 86.9 -56.4 -21.5 20.2 17.6 -10.0 18 18 A C S S- 0 0 32 2,-0.1 2,-0.8 1,-0.1 898,-0.1 -0.286 94.8-105.0 -82.1 160.6 18.1 17.6 -13.2 19 19 A K S S- 0 0 179 -2,-0.1 -4,-0.1 -4,-0.0 -1,-0.1 -0.795 88.0 -12.1 -81.4 109.2 15.2 19.8 -14.1 20 20 A S - 0 0 12 52,-0.8 -5,-0.5 -2,-0.8 -4,-0.3 0.407 55.2-143.9 91.4 154.2 12.1 17.4 -13.6 21 21 A V E +BC 14 71A 12 50,-2.1 50,-2.6 -7,-0.2 -7,-0.2 -0.969 31.3 135.9-146.1 150.4 11.3 13.7 -13.0 22 22 A G E -BC 13 70A 1 -9,-1.9 -9,-2.1 -2,-0.3 2,-0.3 -0.813 30.9-126.4-165.0-150.1 8.4 11.6 -14.3 23 23 A C E -BC 12 69A 1 46,-1.7 46,-2.6 -11,-0.3 2,-0.5 -0.975 15.5-122.8-172.5 159.1 7.1 8.4 -15.8 24 24 A I E -BC 11 68A 4 -13,-2.3 -13,-1.7 -2,-0.3 2,-0.5 -0.982 19.3-156.9-117.9 119.9 5.0 6.9 -18.6 25 25 A V E -BC 10 67A 0 42,-2.7 42,-2.5 -2,-0.5 2,-0.3 -0.846 15.5-178.0 -94.7 129.2 2.0 4.7 -17.7 26 26 A D E +B 9 0A 15 -17,-2.2 -17,-2.5 -2,-0.5 39,-0.1 -0.877 58.2 45.2-128.8 150.6 1.1 2.3 -20.5 27 27 A G + 0 0 6 -2,-0.3 -1,-0.1 1,-0.3 -19,-0.1 0.234 68.5 142.8 93.2 -11.2 -1.9 -0.1 -20.5 28 28 A V - 0 0 3 -19,-0.2 -1,-0.3 37,-0.1 832,-0.0 -0.471 54.1-118.1 -65.1 126.2 -4.4 2.4 -19.1 29 29 A P - 0 0 8 0, 0.0 35,-0.4 0, 0.0 2,-0.2 -0.229 27.7-106.0 -63.3 149.7 -7.8 1.7 -20.8 30 30 A P S S+ 0 0 88 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.535 96.0 46.2 -75.8 142.0 -9.4 4.5 -22.9 31 31 A G E +E 62 0B 33 31,-1.9 31,-1.3 1,-0.3 3,-0.1 -0.853 69.0 121.2 130.1 -92.7 -12.3 6.2 -21.3 32 32 A M E - 0 0 13 -2,-0.4 30,-1.5 29,-0.2 -1,-0.3 0.477 66.3-115.1 -8.4 121.8 -11.5 7.0 -17.7 33 33 A S E +E 61 0B 49 28,-0.2 2,-0.3 24,-0.1 28,-0.3 -0.521 44.8 171.6 -66.0 132.0 -11.6 10.7 -16.8 34 34 A L + 0 0 2 26,-2.1 2,-0.3 -2,-0.2 26,-0.1 -0.869 11.9 149.9-156.5 115.4 -8.2 11.9 -15.9 35 35 A T > - 0 0 62 -2,-0.3 3,-2.2 22,-0.0 4,-0.5 -0.888 63.8 -91.8-128.9 169.5 -6.7 15.3 -15.2 36 36 A E G >> S+ 0 0 70 -2,-0.3 4,-2.5 1,-0.3 3,-1.0 0.715 120.6 73.5 -49.5 -24.1 -3.9 16.5 -13.0 37 37 A A G 34 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.837 91.4 55.3 -62.8 -33.9 -6.6 16.9 -10.3 38 38 A D G <4 S+ 0 0 45 -3,-2.2 4,-0.3 1,-0.1 -1,-0.3 0.694 117.2 34.7 -67.0 -22.6 -6.7 13.1 -10.0 39 39 A I T X> S+ 0 0 0 -3,-1.0 4,-1.6 -4,-0.5 3,-0.5 0.847 98.7 72.0-101.7 -47.6 -2.9 12.9 -9.2 40 40 A Q H 3X S+ 0 0 49 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.772 89.9 62.2 -44.4 -45.2 -1.9 16.0 -7.2 41 41 A P H 3> S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.938 104.2 45.3 -51.4 -58.1 -3.6 14.9 -3.9 42 42 A Q H <4 S+ 0 0 11 -3,-0.5 4,-0.3 -4,-0.3 -2,-0.2 0.880 113.9 52.8 -57.1 -36.9 -1.5 11.7 -3.4 43 43 A L H >X S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 4,-0.9 0.887 105.8 52.0 -62.5 -39.5 1.5 13.9 -4.3 44 44 A T H 3< S+ 0 0 79 -4,-2.5 3,-0.4 -3,-0.4 -2,-0.2 0.893 102.3 62.2 -60.3 -36.1 0.5 16.4 -1.7 45 45 A R T 3< S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.536 100.0 53.6 -71.8 -5.9 0.3 13.5 0.8 46 46 A R T <4 0 0 34 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.809 360.0 360.0 -90.8 -36.3 4.0 12.8 0.4 47 47 A R < 0 0 154 -4,-0.9 -2,-0.2 -3,-0.4 -3,-0.1 0.862 360.0 360.0 -57.6 360.0 5.4 16.4 1.2 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 61 A D 0 0 76 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 66.3 5.7 19.6 -7.0 50 62 A R - 0 0 187 21,-0.1 22,-1.8 1,-0.0 2,-0.3 -0.370 360.0-153.5 -73.8 150.0 3.4 20.5 -9.9 51 63 A V E -D 71 0A 14 20,-0.2 2,-0.4 21,-0.1 20,-0.2 -0.923 9.6-167.6-123.9 141.2 2.4 17.8 -12.4 52 64 A E E -D 70 0A 41 18,-1.9 18,-1.4 -2,-0.3 2,-0.4 -0.968 20.7-135.5-134.3 126.0 1.4 18.0 -16.1 53 65 A I E -D 69 0A 13 -2,-0.4 16,-0.2 16,-0.2 -17,-0.1 -0.603 22.4-176.7 -65.5 127.5 -0.1 15.2 -18.1 54 66 A Q - 0 0 3 14,-3.3 829,-0.4 -2,-0.4 824,-0.3 0.458 59.5 -4.9-108.6 -6.6 1.7 15.3 -21.4 55 67 A S S S+ 0 0 0 13,-0.5 -1,-0.2 822,-0.1 3,-0.1 -0.970 94.7 66.3-167.7 176.7 -0.1 12.6 -23.3 56 68 A G S S+ 0 0 0 -2,-0.3 7,-2.9 11,-0.2 8,-0.6 0.359 86.6 86.6 81.7 -3.7 -2.7 9.9 -23.1 57 69 A T B +F 62 0B 21 5,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.971 43.5 176.8-132.0 145.5 -5.6 12.2 -22.6 58 70 A E S S- 0 0 67 3,-2.1 3,-0.5 -2,-0.3 823,-0.0 -0.917 81.0 -2.5-146.2 121.2 -8.0 14.3 -24.8 59 71 A F S S- 0 0 193 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.775 131.5 -58.3 67.0 30.6 -10.9 16.3 -23.5 60 72 A G S S+ 0 0 27 1,-0.3 -26,-2.1 -26,-0.1 2,-0.3 0.674 117.1 104.8 77.5 21.2 -10.0 15.1 -20.0 61 73 A K E S-E 33 0B 99 -3,-0.5 -3,-2.1 -28,-0.3 -1,-0.3 -0.895 77.0 -96.0-131.5 157.8 -10.4 11.4 -20.9 62 74 A T E -EF 31 57B 7 -30,-1.5 -31,-1.9 -31,-1.3 -5,-0.3 -0.566 18.6-161.0 -81.5 136.4 -7.9 8.6 -21.5 63 75 A L - 0 0 56 -7,-2.9 -6,-0.1 -2,-0.3 -1,-0.1 0.501 44.4-115.1 -85.6 -7.8 -7.0 7.8 -25.1 64 76 A G S S+ 0 0 28 -8,-0.6 -37,-0.2 -35,-0.4 -7,-0.1 0.719 82.6 112.7 76.4 20.2 -5.8 4.4 -24.1 65 77 A T S S- 0 0 3 -9,-0.3 -1,-0.3 1,-0.1 -2,-0.2 -0.684 82.6 -57.5-115.2 170.1 -2.3 5.5 -25.2 66 78 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 811,-0.3 -0.283 51.1-151.3 -50.0 128.6 0.9 6.1 -23.2 67 79 A I E -C 25 0A 1 -42,-2.5 -42,-2.7 -11,-0.1 2,-0.5 -0.942 10.5-164.1-105.5 118.5 0.3 8.7 -20.5 68 80 A A E -C 24 0A 4 -2,-0.5 -14,-3.3 -44,-0.2 -13,-0.5 -0.884 4.3-169.9-109.8 128.6 3.4 10.7 -19.7 69 81 A M E -CD 23 53A 3 -46,-2.6 -46,-1.7 -2,-0.5 2,-0.4 -0.957 2.8-163.3-120.8 140.1 3.6 12.8 -16.5 70 82 A M E -CD 22 52A 23 -18,-1.4 -18,-1.9 -2,-0.4 2,-0.4 -0.962 1.3-161.5-125.2 137.5 6.2 15.2 -15.6 71 83 A I E CD 21 51A 1 -50,-2.6 -50,-2.1 -2,-0.4 -20,-0.2 -0.973 360.0 360.0-121.5 134.6 6.9 16.7 -12.2 72 84 A K 0 0 155 -22,-1.8 -52,-0.8 -2,-0.4 -1,-0.2 0.959 360.0 360.0 -83.2 360.0 8.9 19.8 -11.6 73 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 128 A E 0 0 114 0, 0.0 4,-0.1 0, 0.0 -58,-0.0 0.000 360.0 360.0 360.0 143.0 13.0 9.2 -6.9 75 129 A T > + 0 0 13 2,-0.1 4,-2.3 1,-0.1 5,-0.1 0.203 360.0 95.5-127.6 2.4 9.5 7.9 -6.2 76 130 A I H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.817 85.1 62.0 -65.0 -29.0 7.1 10.6 -7.3 77 131 A G H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.912 105.7 47.3 -54.3 -43.6 6.9 8.6 -10.5 78 132 A R H > S+ 0 0 10 2,-0.2 4,-2.8 3,-0.2 -2,-0.2 0.982 112.9 44.6 -61.0 -58.8 5.6 5.9 -8.2 79 133 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.920 116.7 46.9 -58.9 -44.6 3.0 8.0 -6.4 80 134 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 3,-0.4 0.943 114.8 42.9 -61.7 -53.8 1.8 9.7 -9.5 81 135 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 3,-0.2 0.850 111.1 59.1 -66.8 -28.5 1.4 6.6 -11.7 82 136 A G H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.847 99.0 57.4 -64.0 -36.7 -0.1 4.9 -8.6 83 137 A A H X S+ 0 0 7 -4,-1.7 4,-2.1 -3,-0.4 -1,-0.2 0.841 106.3 48.6 -62.0 -37.9 -2.8 7.5 -8.5 84 138 A I H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.2 -2,-0.2 0.957 112.5 49.4 -67.5 -47.6 -3.9 6.6 -12.1 85 139 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.833 109.2 53.4 -54.6 -38.8 -3.8 3.0 -11.1 86 140 A E H X S+ 0 0 39 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.940 108.7 46.3 -69.3 -46.2 -5.9 3.8 -8.1 87 141 A K H X S+ 0 0 43 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.928 108.2 57.0 -63.4 -44.6 -8.6 5.6 -10.0 88 142 A F H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.895 112.2 43.7 -47.7 -41.5 -8.7 2.7 -12.5 89 143 A L H < S+ 0 0 4 -4,-1.5 6,-1.0 2,-0.2 5,-0.4 0.775 108.0 57.9 -76.1 -33.5 -9.4 0.5 -9.6 90 144 A A H >X S+ 0 0 57 -4,-2.0 4,-1.0 4,-0.2 3,-0.5 0.900 112.9 40.3 -61.4 -44.4 -12.0 2.9 -8.0 91 145 A Q H 3< S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.921 120.3 41.4 -70.4 -46.7 -14.1 2.8 -11.2 92 146 A N T 3< S+ 0 0 72 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.019 132.8 3.9-102.6 26.9 -13.8 -0.9 -12.0 93 147 A S T <4 S- 0 0 30 -3,-0.5 -3,-0.2 -4,-0.2 -1,-0.2 0.489 82.8-114.8 178.7 -18.3 -14.1 -2.6 -8.7 94 148 A N < + 0 0 112 -4,-1.0 2,-0.3 -5,-0.4 -4,-0.2 0.796 54.3 169.1 64.1 35.8 -14.9 -0.4 -5.6 95 149 A V - 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