==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-DEC-12 4IK0 . COMPND 2 MOLECULE: DIAMINOPIMELATE EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.HOR,R.C.J.DOBSON,C.A.HUTTON,M.A.PERUGINI . 549 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 62 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 0 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 3 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 PARALLEL BRIDGES PER LADDER . 2 5 1 6 5 8 2 0 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 . 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 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 24 0, 0.0 271,-2.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 122.2 9.6 1.6 -0.7 2 2 A Q E +A 271 0A 111 269,-0.2 15,-0.4 15,-0.2 2,-0.3 -0.569 360.0 163.1 -80.7 151.2 6.8 -1.0 -0.5 3 3 A F E -A 270 0A 19 267,-2.0 267,-2.5 -2,-0.2 2,-0.3 -0.943 27.6-131.9-156.5 168.4 7.5 -4.6 -1.4 4 4 A S E -AB 269 15A 1 11,-2.4 11,-2.9 -2,-0.3 2,-0.5 -0.940 13.6-137.4-124.4 150.6 6.1 -8.1 -1.0 5 5 A K E +AB 268 14A 10 263,-2.7 262,-2.0 -2,-0.3 263,-1.4 -0.941 36.6 160.7-106.9 130.9 7.7 -11.2 0.1 6 6 A M E -AB 266 13A 1 7,-2.5 7,-3.1 -2,-0.5 2,-0.3 -0.949 21.6-159.2-143.0 160.7 6.7 -14.3 -1.9 7 7 A H E -AB 265 12A 11 258,-1.6 258,-3.3 -2,-0.3 2,-0.6 -0.996 14.4-150.8-144.3 150.3 8.0 -17.8 -2.7 8 8 A G E > S- B 0 11A 6 3,-2.0 3,-2.2 -2,-0.3 256,-0.1 -0.966 91.9 -31.5-114.2 105.1 7.5 -20.3 -5.5 9 9 A L T 3 S- 0 0 15 -2,-0.6 235,-0.1 1,-0.3 3,-0.1 0.835 128.3 -42.1 47.0 42.7 7.9 -23.7 -3.8 10 10 A G T 3 S+ 0 0 5 1,-0.3 2,-0.9 302,-0.2 -1,-0.3 0.247 108.8 122.9 95.8 -12.3 10.5 -22.2 -1.3 11 11 A N E < -B 8 0A 50 -3,-2.2 -3,-2.0 204,-0.0 -1,-0.3 -0.752 57.0-149.0 -82.8 106.7 12.3 -20.2 -3.9 12 12 A D E -B 7 0A 0 -2,-0.9 32,-1.5 -5,-0.2 31,-1.0 -0.590 20.4-177.6-101.9 151.0 11.9 -16.8 -2.2 13 13 A F E -Bc 6 44A 7 -7,-3.1 -7,-2.5 -2,-0.2 2,-0.5 -0.979 28.5-143.1-137.0 141.0 11.6 -13.3 -3.6 14 14 A M E -Bc 5 45A 0 30,-1.8 32,-2.8 -2,-0.4 2,-0.4 -0.935 34.5-162.1 -89.7 129.3 11.4 -9.7 -2.6 15 15 A V E -Bc 4 46A 0 -11,-2.9 -11,-2.4 -2,-0.5 2,-0.4 -0.952 6.3-167.2-121.0 132.7 9.0 -8.3 -5.2 16 16 A V E - c 0 47A 0 30,-2.5 32,-3.0 -2,-0.4 2,-1.0 -0.983 22.0-134.3-129.5 136.4 8.7 -4.5 -5.9 17 17 A D E + c 0 48A 18 -2,-0.4 4,-0.3 -15,-0.4 -15,-0.2 -0.724 29.6 165.7 -80.3 100.6 6.2 -2.4 -7.8 18 18 A A + 0 0 23 30,-2.4 5,-0.2 -2,-1.0 -1,-0.1 0.073 66.6 75.0-102.4 23.6 8.3 0.0 -9.9 19 19 A V S S+ 0 0 58 30,-0.2 -1,-0.1 3,-0.1 30,-0.1 0.851 110.8 19.6 -92.0 -47.8 5.2 0.9 -12.0 20 20 A T S S+ 0 0 97 2,-0.0 2,-0.3 29,-0.0 -2,-0.1 0.447 125.1 58.4-101.9 -4.3 3.3 3.1 -9.4 21 21 A Q S S- 0 0 34 -4,-0.3 2,-0.7 -19,-0.0 -5,-0.0 -0.945 81.4-121.6-122.3 149.9 6.4 3.9 -7.3 22 22 A N + 0 0 146 -2,-0.3 2,-0.4 2,-0.0 -3,-0.1 -0.827 42.3 179.9 -86.3 114.0 9.7 5.5 -8.0 23 23 A V - 0 0 25 -2,-0.7 2,-0.4 -5,-0.2 -2,-0.0 -0.983 9.6-168.5-122.8 129.9 12.1 2.7 -6.9 24 24 A F - 0 0 165 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.961 5.5-176.8-123.0 136.2 15.9 3.0 -7.1 25 25 A F - 0 0 59 -2,-0.4 3,-0.1 4,-0.0 -2,-0.0 -0.901 12.2-173.8-125.7 157.7 18.6 0.3 -6.7 26 26 A S > - 0 0 51 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.926 42.5-108.8-132.7 161.9 22.4 -0.1 -6.6 27 27 A P H > S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.930 121.0 50.3 -57.3 -42.2 24.3 -3.4 -6.5 28 28 A E H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.873 107.5 51.6 -60.9 -44.7 25.3 -2.6 -2.9 29 29 A L H > S+ 0 0 42 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.919 109.1 51.3 -58.8 -43.0 21.7 -1.8 -1.8 30 30 A I H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.926 108.9 51.7 -60.4 -44.9 20.5 -5.2 -3.3 31 31 A R H X S+ 0 0 99 -4,-2.2 4,-0.9 35,-0.2 -1,-0.2 0.928 112.3 45.8 -58.2 -45.5 23.2 -7.0 -1.3 32 32 A R H >< S+ 0 0 136 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.927 113.5 48.2 -63.4 -47.4 22.2 -5.3 1.9 33 33 A L H 3< S+ 0 0 4 -4,-2.9 8,-2.4 1,-0.2 7,-1.6 0.819 108.9 54.3 -64.1 -34.0 18.4 -5.9 1.4 34 34 A A H 3< S+ 0 0 6 -4,-2.3 8,-1.2 -5,-0.2 -1,-0.2 0.706 81.7 109.3 -68.4 -24.6 19.1 -9.6 0.5 35 35 A D S- 0 0 42 3,-0.2 3,-1.9 4,-0.0 -1,-0.1 -0.869 76.6-140.9-166.1 121.1 5.1 -1.1 -25.6 54 54 A P T 3 S+ 0 0 126 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.556 101.7 65.5 -74.2 -1.4 1.3 -1.4 -26.1 55 55 A E T 3 S+ 0 0 130 -4,-0.1 2,-0.3 -3,-0.0 42,-0.0 0.336 102.7 59.5 -89.0 6.7 1.6 -5.1 -27.0 56 56 A L < - 0 0 13 -3,-1.9 -3,-0.2 1,-0.1 41,-0.2 -0.937 60.3-158.1-132.1 154.2 2.9 -5.8 -23.5 57 57 A D S S- 0 0 25 39,-2.7 2,-0.3 1,-0.3 40,-0.2 0.770 76.2 -8.1 -93.3 -39.5 1.5 -5.4 -19.9 58 58 A F E - e 0 97A 11 38,-1.7 40,-1.7 -8,-0.2 2,-0.3 -0.974 49.7-141.8-150.1 160.5 4.7 -5.3 -18.0 59 59 A H E -De 49 98A 35 -10,-2.4 -10,-3.4 -2,-0.3 2,-0.3 -0.939 25.2-170.7-110.3 150.9 8.4 -5.8 -18.1 60 60 A Y E -D 48 0A 6 38,-1.9 40,-0.4 -2,-0.3 2,-0.4 -0.999 8.4-168.0-138.1 150.0 10.3 -7.5 -15.2 61 61 A R E -D 47 0A 83 -14,-1.9 -14,-2.8 -2,-0.3 2,-0.4 -0.949 9.8-147.0-128.1 158.8 13.8 -8.0 -14.2 62 62 A I E -DF 46 70A 8 8,-0.6 8,-3.3 -2,-0.4 2,-0.4 -0.977 7.5-167.3-127.5 134.2 15.4 -10.2 -11.6 63 63 A F E -DF 45 69A 36 -18,-2.7 -18,-3.1 -2,-0.4 6,-0.2 -0.939 16.4-134.9-115.9 143.1 18.5 -9.6 -9.5 64 64 A N E > -D 44 0A 41 4,-2.9 3,-2.1 -2,-0.4 -20,-0.2 -0.301 39.4 -91.2 -80.7 174.1 20.3 -12.2 -7.4 65 65 A A T 3 S+ 0 0 40 -22,-1.0 -31,-0.2 1,-0.3 -21,-0.1 0.691 125.5 61.8 -63.3 -17.7 21.6 -11.7 -3.8 66 66 A D T 3 S- 0 0 114 2,-0.1 -1,-0.3 -32,-0.1 -35,-0.2 0.507 120.3-109.5 -77.8 -8.0 25.0 -10.5 -5.2 67 67 A G S < S+ 0 0 7 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.579 76.7 127.1 90.0 10.0 23.1 -7.7 -6.9 68 68 A S - 0 0 62 -41,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.731 64.5-100.4-102.4 153.4 23.5 -8.9 -10.4 69 69 A E E -F 63 0A 93 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.400 33.2-149.4 -70.8 139.7 20.8 -9.4 -13.0 70 70 A V E -F 62 0A 34 -8,-3.3 -8,-0.6 -2,-0.1 2,-0.3 -0.907 12.6-171.8-110.5 139.0 19.6 -13.0 -13.7 71 71 A A + 0 0 65 -2,-0.4 2,-0.4 29,-0.1 -2,-0.0 -0.686 28.5 141.8-128.3 82.5 18.3 -14.3 -17.0 72 72 A Q > - 0 0 42 -2,-0.3 3,-1.8 3,-0.1 29,-0.1 -0.967 56.4-103.3-121.9 133.6 16.9 -17.8 -16.5 73 73 A C T 3 S+ 0 0 48 -2,-0.4 146,-0.1 1,-0.2 3,-0.1 -0.305 102.3 2.6 -59.1 130.9 13.7 -19.0 -18.4 74 74 A G T > S+ 0 0 12 1,-0.2 3,-1.5 43,-0.1 4,-0.4 0.331 89.4 152.2 81.5 -6.5 10.6 -19.0 -16.2 75 75 A N T < S- 0 0 34 -3,-1.8 -1,-0.2 1,-0.3 -3,-0.1 -0.387 75.5 -9.5 -63.6 123.6 12.5 -17.6 -13.2 76 76 A G T 3> S+ 0 0 9 -2,-0.1 4,-2.7 -3,-0.1 -1,-0.3 0.413 96.3 128.0 71.9 0.0 10.1 -15.6 -10.9 77 77 A A H <> S+ 0 0 1 -3,-1.5 4,-2.0 1,-0.2 -2,-0.1 0.838 70.2 45.6 -63.8 -38.0 7.3 -15.8 -13.4 78 78 A R H > S+ 0 0 24 -4,-0.4 4,-2.1 2,-0.2 5,-0.3 0.902 113.9 47.6 -76.8 -42.7 4.6 -17.2 -11.1 79 79 A C H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.933 112.3 52.6 -59.7 -42.2 5.4 -14.8 -8.2 80 80 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.928 109.8 47.9 -54.1 -48.5 5.4 -11.9 -10.8 81 81 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.898 115.2 41.7 -69.3 -44.2 1.9 -12.9 -12.1 82 82 A R H X S+ 0 0 43 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.893 112.4 58.0 -69.8 -34.8 0.2 -13.3 -8.7 83 83 A F H X S+ 0 0 5 -4,-3.0 4,-2.7 -5,-0.3 6,-0.3 0.950 105.7 47.0 -56.6 -54.4 1.9 -10.1 -7.5 84 84 A V H <>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.2 6,-1.6 0.860 118.1 43.6 -59.8 -31.5 0.5 -7.9 -10.3 85 85 A R H ><5S+ 0 0 92 -4,-1.3 3,-1.2 -5,-0.2 -1,-0.2 0.915 113.3 48.9 -75.7 -45.5 -2.9 -9.3 -9.7 86 86 A L H 3<5S+ 0 0 74 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.853 113.3 48.6 -65.0 -36.1 -2.8 -9.2 -5.9 87 87 A K T 3<5S- 0 0 74 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.445 111.9-119.3 -83.8 -1.8 -1.6 -5.6 -6.0 88 88 A G T < 5S+ 0 0 62 -3,-1.2 -3,-0.2 2,-0.3 -4,-0.1 0.700 76.0 129.4 74.4 15.1 -4.3 -4.5 -8.5 89 89 A L S - G 0 102A 14 3,-2.8 3,-1.6 -2,-0.4 -38,-0.1 -0.793 56.8 -79.0-141.1-174.6 11.9 -10.3 -19.5 100 100 A A T 3 S+ 0 0 51 -40,-0.4 3,-0.1 1,-0.3 -29,-0.1 0.688 130.4 52.8 -67.6 -13.8 15.6 -10.8 -19.9 101 101 A N T 3 S- 0 0 79 1,-0.3 2,-0.3 -29,-0.1 -1,-0.3 0.156 121.1 -95.2-105.6 17.8 14.7 -14.0 -21.9 102 102 A G E < -G 99 0A 40 -3,-1.6 -3,-2.8 2,-0.0 -1,-0.3 -0.755 60.9 -39.2 106.3-154.2 12.2 -12.4 -24.4 103 103 A R E +G 98 0A 141 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.824 54.5 159.9-112.2 151.4 8.4 -12.1 -24.2 104 104 A M E -G 97 0A 32 -7,-2.6 -7,-2.9 -2,-0.3 2,-0.5 -0.975 35.4-117.1-157.0 176.3 5.7 -14.5 -23.0 105 105 A V E -G 96 0A 72 -2,-0.3 12,-0.5 -9,-0.2 2,-0.4 -0.975 25.5-159.6-116.9 127.3 2.1 -14.7 -21.9 106 106 A L E -G 95 0A 0 -11,-2.7 -11,-3.6 -2,-0.5 2,-0.5 -0.870 6.0-150.0-107.1 139.6 1.5 -15.9 -18.3 107 107 A T E -GH 94 115A 15 8,-2.0 8,-3.1 -2,-0.4 2,-0.6 -0.949 3.5-152.7-116.8 125.1 -1.9 -17.3 -17.3 108 108 A V E - H 0 114A 7 -15,-2.8 6,-0.2 -2,-0.5 2,-0.0 -0.829 26.5-142.9 -93.6 118.1 -3.4 -17.1 -13.8 109 109 A T > - 0 0 18 4,-2.9 3,-2.0 -2,-0.6 -1,-0.0 -0.260 24.6-101.1 -81.2 171.5 -5.8 -20.0 -13.3 110 110 A D T 3 S+ 0 0 145 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.789 123.5 53.6 -61.4 -25.3 -9.1 -20.3 -11.5 111 111 A D T 3 S- 0 0 110 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.212 123.0-103.4 -99.7 22.6 -7.3 -21.9 -8.6 112 112 A D S < S+ 0 0 92 -3,-2.0 152,-0.4 1,-0.3 2,-0.2 0.789 80.2 130.3 63.8 30.0 -4.8 -19.1 -8.3 113 113 A L - 0 0 44 150,-0.1 -4,-2.9 -31,-0.0 2,-0.4 -0.612 52.8-128.4 -98.9 171.2 -2.0 -21.1 -9.9 114 114 A V E -HI 108 262A 0 148,-2.3 148,-2.1 -6,-0.2 2,-0.6 -0.990 9.2-150.4-125.8 130.4 0.1 -19.7 -12.7 115 115 A R E -HI 107 261A 92 -8,-3.1 -8,-2.0 -2,-0.4 2,-0.4 -0.883 14.7-164.1-102.7 125.1 0.8 -21.5 -16.1 116 116 A V E - I 0 260A 0 144,-3.1 144,-2.8 -2,-0.6 2,-0.9 -0.918 18.4-137.7-111.8 129.7 4.1 -20.7 -17.7 117 117 A N E - I 0 259A 53 -12,-0.5 142,-0.2 -2,-0.4 -43,-0.1 -0.808 21.0-176.2 -81.2 104.8 4.9 -21.4 -21.3 118 118 A M - 0 0 10 140,-2.5 141,-0.1 -2,-0.9 -1,-0.1 0.278 38.2-120.7 -89.6 12.1 8.5 -22.7 -21.0 119 119 A G - 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