==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-SEP-08 3EJX . COMPND 2 MOLECULE: DIAMINOPIMELATE EPIMERASE, CHLOROPLASTIC; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR B.PILLAI,V.A.MOORTHIE,M.M.CHERNEY,J.C.VEDERAS,M.N.G.JAMES . 1751 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1264 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 505 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 30 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 36 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 162 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.0 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 1 2 5 6 0 0 0 6 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 6 6 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 . 27 4 6 23 16 6 12 6 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 7 0 0 0 0 0 0 0 6 0 0 3 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 25 A G 0 0 85 0, 0.0 286,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-155.2 18.0 -15.4 18.0 2 26 A V E -A 286 0A 70 284,-0.2 2,-0.5 2,-0.0 284,-0.2 -0.997 360.0-150.8-143.0 143.7 14.3 -14.9 17.6 3 27 A L E -A 285 0A 5 282,-2.5 282,-2.8 -2,-0.3 2,-0.4 -0.973 11.1-154.2-116.4 120.6 11.2 -17.1 18.2 4 28 A H E +A 284 0A 109 -2,-0.5 15,-0.3 280,-0.2 2,-0.3 -0.780 31.3 152.5 -92.5 136.9 8.1 -16.5 16.1 5 29 A F E -A 283 0A 7 278,-2.6 278,-2.4 -2,-0.4 2,-0.4 -0.951 41.2-126.4-155.1 172.3 4.9 -17.6 17.8 6 30 A V E -AB 282 17A 33 11,-2.0 11,-2.8 -2,-0.3 2,-0.5 -0.995 25.1-135.0-127.6 131.9 1.2 -17.1 18.1 7 31 A K E +AB 281 16A 0 274,-3.8 273,-3.2 -2,-0.4 274,-1.0 -0.780 32.2 166.7 -91.0 131.0 -0.5 -16.4 21.5 8 32 A Y E -AB 279 15A 7 7,-2.4 7,-2.9 -2,-0.5 2,-0.3 -0.863 17.2-158.8-132.3 166.1 -3.7 -18.4 22.2 9 33 A H E -AB 278 14A 28 269,-1.7 269,-2.0 -2,-0.3 2,-0.6 -0.992 10.6-154.8-148.7 145.2 -5.8 -19.1 25.3 10 34 A G E > S- B 0 13A 0 3,-2.4 3,-1.8 -2,-0.3 267,-0.1 -0.951 89.6 -28.1-120.7 104.7 -8.3 -21.8 26.2 11 35 A L T 3 S- 0 0 13 -2,-0.6 246,-0.2 1,-0.3 3,-0.1 0.814 126.8 -50.1 56.4 34.1 -10.6 -20.3 28.9 12 36 A G T 3 S+ 0 0 0 1,-0.3 2,-1.1 1497,-0.2 216,-0.4 0.403 108.2 123.7 89.7 -9.2 -7.8 -18.1 30.0 13 37 A N E < -B 10 0A 1 -3,-1.8 -3,-2.4 215,-0.2 2,-0.3 -0.833 56.7-158.0 -83.6 103.5 -5.2 -20.9 30.3 14 38 A D E -B 9 0A 0 -2,-1.1 32,-3.0 -5,-0.3 33,-0.7 -0.696 16.8-176.6-101.4 145.3 -2.8 -19.0 27.9 15 39 A F E -Bc 8 47A 5 -7,-2.9 -7,-2.4 -2,-0.3 2,-0.6 -0.943 31.1-127.1-140.7 157.0 -0.0 -20.4 25.7 16 40 A I E -Bc 7 48A 0 31,-2.2 33,-3.1 -2,-0.3 2,-0.5 -0.902 34.1-157.8 -98.4 114.7 2.7 -19.5 23.3 17 41 A L E -Bc 6 49A 1 -11,-2.8 -11,-2.0 -2,-0.6 2,-0.4 -0.852 9.0-169.6-101.1 132.2 2.2 -21.7 20.2 18 42 A V E - c 0 50A 0 31,-2.6 33,-2.4 -2,-0.5 2,-1.1 -0.966 26.2-126.5-127.3 140.0 5.1 -22.4 17.9 19 43 A D E + c 0 51A 48 -2,-0.4 3,-0.2 -15,-0.3 33,-0.1 -0.700 41.7 156.6 -80.4 102.5 5.3 -24.0 14.5 20 44 A N > + 0 0 2 31,-1.6 3,-1.5 -2,-1.1 -1,-0.1 -0.056 26.8 124.7-117.7 29.7 7.8 -26.8 15.0 21 45 A R T 3 + 0 0 52 1,-0.3 -1,-0.1 31,-0.3 31,-0.1 0.605 63.0 66.9 -69.1 -10.7 6.6 -29.0 12.1 22 46 A D T 3 S+ 0 0 108 -3,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.576 108.4 22.6 -88.1 -6.4 10.1 -29.0 10.5 23 47 A S < - 0 0 45 -3,-1.5 -1,-0.1 378,-0.1 4,-0.1 -0.997 59.2-133.6-160.5 150.0 11.8 -31.0 13.3 24 48 A S S S+ 0 0 80 -2,-0.3 28,-0.1 28,-0.1 -3,-0.1 0.454 90.3 88.5 -81.2 0.6 11.3 -33.5 16.1 25 49 A E S S- 0 0 147 -5,-0.1 -3,-0.1 2,-0.0 -2,-0.0 -0.870 88.3-118.3-102.6 118.0 13.6 -31.2 18.2 26 50 A P - 0 0 22 0, 0.0 -2,-0.1 0, 0.0 26,-0.0 -0.278 20.6-127.6 -54.4 141.0 11.8 -28.3 20.0 27 51 A K S S+ 0 0 120 -4,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.700 88.4 34.8 -63.7 -25.8 13.1 -25.0 18.8 28 52 A I S S- 0 0 7 -25,-0.0 2,-0.1 259,-0.0 259,-0.0 -0.871 85.1-109.1-129.0 165.5 13.9 -23.7 22.3 29 53 A T > - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.404 31.8-109.8 -86.9 168.1 15.1 -25.2 25.5 30 54 A Q H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 121.8 54.5 -64.2 -37.2 13.1 -25.8 28.7 31 55 A E H > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 108.6 47.4 -64.7 -41.6 15.2 -23.0 30.3 32 56 A Q H > S+ 0 0 65 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.892 109.9 53.4 -67.3 -38.0 14.3 -20.6 27.4 33 57 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.936 106.2 52.3 -62.3 -44.0 10.6 -21.5 27.7 34 58 A A H < S+ 0 0 32 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.924 111.6 47.8 -58.1 -42.6 10.6 -20.7 31.4 35 59 A K H >< S+ 0 0 161 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.923 111.0 49.7 -64.8 -44.8 12.1 -17.3 30.6 36 60 A L H 3< S+ 0 0 12 -4,-2.6 8,-2.6 1,-0.3 7,-1.6 0.815 105.7 58.3 -65.1 -29.1 9.6 -16.6 27.8 37 61 A C T 3< S+ 0 0 7 -4,-2.1 8,-1.6 6,-0.2 -1,-0.3 0.594 76.1 112.4 -78.2 -11.2 6.7 -17.5 30.1 38 62 A D <> - 0 0 66 -3,-1.2 4,-1.6 -4,-0.5 6,-0.1 -0.476 63.7-146.8 -63.1 128.2 7.6 -14.8 32.7 39 63 A R T 4 S+ 0 0 51 -2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.780 90.3 30.5 -74.1 -24.9 4.8 -12.3 32.5 40 64 A N T 4 S+ 0 0 37 1474,-0.1 -1,-0.2 1442,-0.0 1441,-0.2 0.809 131.6 31.1-100.4 -34.6 6.8 -9.2 33.2 41 65 A F T 4 S+ 0 0 85 -6,-0.1 -2,-0.2 1439,-0.1 2,-0.1 0.592 126.5 28.3 -99.3 -14.2 10.3 -10.1 31.8 42 66 A G S < S- 0 0 3 -4,-1.6 -6,-0.2 -8,-0.1 -5,-0.2 -0.299 104.5 -71.9-123.5-151.6 9.1 -12.3 29.0 43 67 A V S S- 0 0 2 -7,-1.6 -6,-0.2 -2,-0.1 -7,-0.1 0.900 70.9-128.4 -75.5 -43.0 6.1 -12.9 26.7 44 68 A G + 0 0 3 -8,-2.6 2,-0.3 -9,-0.1 -6,-0.2 0.583 46.3 136.5 95.6 115.1 4.0 -14.2 29.5 45 69 A A - 0 0 1 -8,-1.6 -30,-0.2 1,-0.1 -1,-0.1 -0.971 60.2-112.9-174.6 167.5 2.1 -17.6 29.4 46 70 A D S S- 0 0 12 -32,-3.0 21,-1.6 -2,-0.3 2,-0.3 0.574 96.3 -22.0 -88.1 -11.9 1.2 -20.7 31.4 47 71 A G E -cD 15 66A 0 -33,-0.7 -31,-2.2 19,-0.3 2,-0.4 -0.979 58.1-108.5 179.3 169.7 3.3 -22.7 28.8 48 72 A V E -cD 16 65A 0 17,-2.3 17,-2.5 -2,-0.3 2,-0.4 -0.976 31.0-162.4-116.2 130.7 4.9 -23.1 25.4 49 73 A I E -cD 17 64A 1 -33,-3.1 -31,-2.6 -2,-0.4 2,-0.5 -0.960 2.2-155.4-119.6 131.2 3.3 -25.6 23.0 50 74 A F E -cD 18 63A 0 13,-3.0 13,-1.4 -2,-0.4 2,-0.7 -0.903 9.3-147.2-109.7 132.3 5.1 -27.0 19.9 51 75 A A E +cD 19 62A 1 -33,-2.4 -31,-1.6 -2,-0.5 11,-0.2 -0.866 36.4 176.2 -94.5 112.0 3.3 -28.4 16.8 52 76 A M E - D 0 61A 7 9,-3.0 9,-2.0 -2,-0.7 -31,-0.3 -0.647 34.2 -71.5-117.6 172.3 5.7 -31.1 15.7 53 77 A P E - D 0 60A 14 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.247 61.5 -92.9 -62.3 149.8 5.8 -33.8 13.0 54 78 A G - 0 0 32 5,-0.7 2,-0.4 6,-0.2 7,-0.2 -0.078 36.5-140.5 -59.0 162.1 3.6 -36.8 13.4 55 79 A V S > S- 0 0 48 5,-0.5 3,-1.8 1,-0.1 5,-0.1 -0.997 70.8 -12.6-133.8 133.4 4.7 -39.9 15.1 56 80 A N T 3 S- 0 0 163 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.875 137.3 -38.8 46.8 43.8 4.0 -43.5 14.2 57 81 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 -3,-0.1 42,-0.1 0.308 101.1 132.3 98.3 -12.3 1.4 -42.4 11.8 58 82 A T < - 0 0 24 -3,-1.8 -1,-0.3 1,-0.1 42,-0.2 -0.329 64.5-120.2 -72.8 160.3 -0.4 -39.4 13.6 59 83 A D S S- 0 0 77 40,-0.8 -5,-0.7 1,-0.1 2,-0.3 0.893 89.2 -12.7 -65.4 -40.4 -1.0 -36.2 11.7 60 84 A Y E -De 53 100A 12 39,-2.2 41,-2.5 -7,-0.2 -5,-0.5 -0.897 60.7-129.8-149.8 176.6 1.2 -34.3 14.3 61 85 A A E -De 52 101A 7 -9,-2.0 -9,-3.0 39,-0.3 2,-0.4 -0.944 18.4-150.4-130.6 152.5 2.8 -34.5 17.7 62 86 A M E +D 51 0A 10 39,-2.5 2,-0.4 -2,-0.3 41,-0.3 -0.992 13.6 178.4-129.1 134.8 2.5 -32.1 20.5 63 87 A R E -D 50 0A 80 -13,-1.4 -13,-3.0 -2,-0.4 2,-0.4 -0.967 9.7-168.3-129.0 147.3 5.1 -31.3 23.2 64 88 A I E -D 49 0A 7 8,-0.5 2,-0.5 -2,-0.4 -15,-0.2 -0.992 14.3-154.5-139.2 145.5 4.6 -28.7 25.9 65 89 A F E -D 48 0A 5 -17,-2.5 -17,-2.3 -2,-0.4 6,-0.2 -0.986 24.3-130.3-117.6 129.7 6.8 -27.0 28.5 66 90 A N E > -D 47 0A 8 4,-3.2 3,-2.3 -2,-0.5 -19,-0.3 -0.268 34.2 -99.7 -67.0 165.9 5.1 -25.6 31.6 67 91 A S T 3 S+ 0 0 31 -21,-1.6 -30,-0.2 1,-0.3 157,-0.2 0.701 127.3 56.9 -63.8 -18.5 5.9 -22.0 32.6 68 92 A D T 3 S- 0 0 71 155,-1.2 -1,-0.3 -22,-0.2 -34,-0.1 0.437 122.0-110.2 -90.3 0.7 8.4 -23.4 35.2 69 93 A G S < S+ 0 0 8 -3,-2.3 -2,-0.1 1,-0.3 -36,-0.1 0.261 75.7 130.5 93.9 -14.1 10.1 -25.2 32.3 70 94 A S - 0 0 26 153,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.319 58.1-123.5 -70.6 157.6 9.1 -28.8 33.2 71 95 A E - 0 0 72 -6,-0.2 -6,-0.2 -3,-0.1 2,-0.1 -0.874 25.6-166.1-110.9 107.0 7.6 -31.0 30.5 72 96 A P - 0 0 8 0, 0.0 -8,-0.5 0, 0.0 31,-0.2 -0.350 26.4-121.5 -81.2 166.5 4.1 -32.4 31.3 73 97 A E S S- 0 0 60 30,-0.1 31,-0.9 1,-0.1 30,-0.7 0.619 81.6 -1.0 -91.8 -8.6 2.6 -35.2 29.2 74 98 A M - 0 0 6 29,-0.2 2,-0.2 28,-0.1 -1,-0.1 -0.983 48.6-160.5-165.9 169.9 -0.6 -33.5 28.0 75 99 A C > - 0 0 12 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.781 4.1-164.5-164.0 112.5 -2.7 -30.3 28.1 76 100 A G H > S+ 0 0 0 -2,-0.2 4,-1.5 2,-0.2 5,-0.1 0.919 93.0 44.5 -68.7 -49.5 -6.4 -30.1 27.2 77 101 A N H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.899 115.5 52.7 -63.0 -36.7 -6.8 -26.4 26.8 78 102 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.881 103.9 52.9 -66.9 -37.5 -3.6 -26.4 24.9 79 103 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.840 106.5 54.1 -70.2 -29.4 -4.6 -29.1 22.4 80 104 A R H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.937 111.7 44.9 -67.5 -41.4 -7.8 -27.1 21.6 81 105 A C H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.913 110.3 56.5 -63.9 -40.5 -5.5 -24.1 20.8 82 106 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.907 105.3 50.9 -55.5 -47.4 -3.2 -26.5 18.9 83 107 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.923 112.4 45.3 -60.5 -45.5 -6.2 -27.6 16.6 84 108 A R H X S+ 0 0 61 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.866 110.8 55.2 -67.8 -32.0 -7.1 -23.9 15.8 85 109 A F H X S+ 0 0 7 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.918 109.2 46.2 -65.1 -45.8 -3.4 -23.1 15.2 86 110 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.963 111.5 52.0 -61.8 -49.9 -3.1 -25.9 12.6 87 111 A A H <>S+ 0 0 16 -4,-2.3 5,-2.5 1,-0.2 4,-0.4 0.880 113.6 45.2 -54.5 -39.5 -6.4 -24.8 11.0 88 112 A E H ><5S+ 0 0 138 -4,-2.1 3,-0.9 3,-0.2 -1,-0.2 0.942 112.8 48.5 -70.8 -47.2 -4.9 -21.2 10.8 89 113 A L H 3<5S+ 0 0 61 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.841 122.1 35.7 -61.1 -35.6 -1.5 -22.3 9.5 90 114 A E T 3<5S- 0 0 43 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.352 104.7-126.9-100.5 3.5 -3.1 -24.5 6.8 91 115 A N T < 5 + 0 0 113 -3,-0.9 2,-0.3 -4,-0.4 -3,-0.2 0.923 44.7 175.9 49.7 50.3 -6.1 -22.2 6.2 92 116 A L < - 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F 0 105A 5 3,-1.2 3,-1.9 -2,-0.4 -28,-0.1 -0.847 56.7 -93.0-139.2 174.0 1.5 -36.8 23.0 103 127 A G T 3 S+ 0 0 60 -30,-0.7 -29,-0.2 -41,-0.3 -30,-0.1 0.631 128.4 54.0 -66.6 -10.8 3.2 -38.0 26.1 104 128 A A T 3 S- 0 0 38 -31,-0.9 2,-0.3 1,-0.4 -1,-0.3 0.427 118.7-112.1-100.1 -0.2 -0.3 -39.3 27.1 105 129 A G E < S+F 102 0A 29 -3,-1.9 -3,-1.2 -32,-0.2 -1,-0.4 -0.750 71.8 3.2 105.0-154.7 -0.7 -41.3 23.9 106 130 A L E +F 101 0A 97 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.480 59.3 178.6 -75.5 134.5 -3.2 -40.5 21.1 107 131 A I E -F 100 0A 3 -7,-2.1 -7,-2.2 -2,-0.2 14,-0.2 -0.999 9.9-161.8-134.0 134.4 -5.4 -37.4 21.4 108 132 A V E - O 0 120B 31 12,-1.9 12,-2.1 -2,-0.4 2,-0.2 -0.842 5.1-171.4-128.1 97.0 -7.9 -36.4 18.7 109 133 A P E - O 0 119B 0 0, 0.0 -11,-1.9 0, 0.0 2,-0.4 -0.600 4.0-165.3 -84.5 147.8 -9.2 -32.8 18.6 110 134 A E E -NO 97 118B 63 8,-2.0 8,-2.7 -13,-0.2 2,-0.4 -0.978 18.1-132.9-136.8 121.4 -12.0 -32.0 16.2 111 135 A I E - O 0 117B 11 -15,-2.9 -15,-0.5 -2,-0.4 6,-0.2 -0.602 30.0-145.0 -73.5 125.4 -13.0 -28.4 15.3 112 136 A Q > - 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