==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-NOV-09 3KMH . COMPND 2 MOLECULE: D-LYXOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O157:H7; . AUTHOR L.M.VAN STAALDUINEN,Z.JIA,MONTREAL-KINGSTON BACTERIAL STRUCT . 440 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 45 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 2 1 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 2 2 4 4 6 0 4 2 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 0 0 0 0 2 0 2 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 X 0 0 76 0, 0.0 206,-2.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 131.9 28.8 8.3 22.9 2 2 A K B > -a 207 0A 112 204,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.551 360.0-135.0 -77.1 141.2 26.3 5.5 23.4 3 3 A R H > S+ 0 0 6 204,-2.9 4,-3.1 1,-0.2 210,-0.2 0.836 107.8 60.5 -62.4 -33.5 24.2 5.5 26.5 4 4 A S H > S+ 0 0 33 203,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.902 105.6 47.5 -58.5 -42.0 24.9 1.8 26.9 5 5 A A H > S+ 0 0 40 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.904 112.9 48.2 -64.7 -43.3 28.6 2.7 27.2 6 6 A I H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.920 110.3 51.5 -64.1 -44.3 27.9 5.5 29.7 7 7 A N H X S+ 0 0 4 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.923 113.4 45.4 -56.4 -46.1 25.7 3.2 31.8 8 8 A D H X S+ 0 0 98 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.899 112.4 50.3 -66.1 -43.8 28.5 0.6 31.9 9 9 A I H X S+ 0 0 16 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.940 114.1 44.6 -59.1 -49.0 31.2 3.2 32.7 10 10 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.872 111.4 54.0 -67.6 -35.7 29.1 4.6 35.6 11 11 A G H X S+ 0 0 29 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.942 112.2 43.8 -58.3 -49.5 28.3 1.1 36.8 12 12 A H H X S+ 0 0 92 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.897 114.1 50.4 -64.3 -41.0 32.0 0.2 36.9 13 13 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.895 108.2 51.8 -66.3 -39.6 32.9 3.5 38.6 14 14 A R H X S+ 0 0 104 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.907 111.3 48.5 -62.7 -39.1 30.2 3.2 41.2 15 15 A Q H X S+ 0 0 116 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.920 110.9 50.3 -64.6 -44.1 31.6 -0.3 42.0 16 16 A F H X S+ 0 0 18 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.924 111.0 49.0 -59.3 -47.4 35.2 1.1 42.1 17 17 A F H ><>S+ 0 0 3 -4,-2.9 5,-2.7 1,-0.2 3,-1.0 0.942 111.0 50.1 -56.3 -49.7 34.0 3.9 44.5 18 18 A S H ><5S+ 0 0 84 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.898 106.0 55.9 -58.1 -41.0 32.2 1.3 46.8 19 19 A Q H 3<5S+ 0 0 141 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.724 108.7 48.9 -63.6 -22.5 35.4 -0.9 46.8 20 20 A H T <<5S- 0 0 25 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.217 119.1-110.8-100.9 12.9 37.3 2.2 48.2 21 21 A D T < 5 + 0 0 50 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.804 65.3 155.2 62.3 30.1 34.6 2.9 50.8 22 22 A V < - 0 0 30 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.3 -0.799 25.4-163.0 -87.5 128.8 33.6 6.1 49.0 23 23 A H - 0 0 72 -2,-0.5 358,-0.3 313,-0.3 312,-0.0 -0.961 1.0-159.2-120.5 129.5 30.0 7.1 49.7 24 24 A L - 0 0 35 -2,-0.5 358,-0.1 356,-0.1 5,-0.0 -0.639 28.6 -92.9-103.6 158.7 28.1 9.5 47.5 25 25 A P > - 0 0 3 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.255 44.5 -99.3 -66.4 161.4 25.0 11.5 48.4 26 26 A P G > S+ 0 0 59 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.834 120.0 64.4 -49.0 -39.5 21.5 10.1 47.6 27 27 A F G > S+ 0 0 4 1,-0.3 3,-1.1 2,-0.2 8,-0.0 0.697 84.8 75.7 -63.2 -17.7 21.2 12.2 44.4 28 28 A A G < S+ 0 0 4 -3,-2.0 -1,-0.3 1,-0.2 187,-0.1 0.707 101.5 40.8 -62.3 -21.3 24.1 10.1 42.9 29 29 A S G < S+ 0 0 60 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.318 82.9 130.5-113.4 6.7 21.7 7.2 42.4 30 30 A F < - 0 0 27 -3,-1.1 185,-0.5 -4,-0.2 -3,-0.0 -0.401 51.0-136.9 -64.3 131.6 18.6 9.0 41.2 31 31 A S > - 0 0 38 -2,-0.1 4,-2.0 183,-0.1 3,-0.4 -0.472 29.9-104.4 -75.3 159.3 17.0 7.6 38.0 32 32 A P H > S+ 0 0 38 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.876 125.4 56.3 -51.3 -38.3 15.9 10.0 35.3 33 33 A A H > S+ 0 0 58 1,-0.2 4,-0.6 2,-0.2 -3,-0.1 0.898 106.1 49.5 -58.8 -43.5 12.3 9.3 36.6 34 34 A Q H >4 S+ 0 0 96 -3,-0.4 3,-0.8 1,-0.2 4,-0.3 0.860 106.6 54.8 -65.2 -38.8 13.3 10.3 40.1 35 35 A W H >< S+ 0 0 28 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.868 103.0 58.4 -60.3 -36.9 14.9 13.6 38.8 36 36 A Q H 3< S+ 0 0 156 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.694 105.2 49.7 -66.7 -20.8 11.5 14.4 37.1 37 37 A Q T << S+ 0 0 165 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.396 85.9 115.9-100.9 0.6 9.7 14.2 40.5 38 38 A L S < S- 0 0 32 -3,-1.1 2,-0.7 -4,-0.3 -3,-0.0 -0.386 77.7-106.3 -73.3 147.0 12.0 16.5 42.4 39 39 A D > - 0 0 102 1,-0.2 4,-1.3 -2,-0.1 -1,-0.1 -0.661 30.1-154.9 -68.2 111.0 10.9 19.9 43.9 40 40 A T T 4 S+ 0 0 107 -2,-0.7 4,-0.2 1,-0.2 -1,-0.2 0.711 89.2 56.0 -68.1 -21.5 12.7 22.2 41.4 41 41 A A T >4 S+ 0 0 48 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.919 109.8 43.3 -72.8 -45.8 12.9 25.0 44.0 42 42 A A T 34 S+ 0 0 15 1,-0.2 325,-2.7 2,-0.1 3,-0.3 0.729 117.6 46.1 -73.6 -22.8 14.6 23.0 46.7 43 43 A W T >X S+ 0 0 36 -4,-1.3 4,-1.4 323,-0.2 3,-0.8 0.255 72.7 113.0-107.3 11.6 17.1 21.4 44.2 44 44 A E H <> S+ 0 0 71 -3,-0.8 4,-3.5 1,-0.2 5,-0.3 0.800 71.5 61.2 -57.8 -32.9 18.2 24.4 42.2 45 45 A E H 3> S+ 0 0 22 320,-0.6 4,-2.2 -3,-0.3 6,-0.3 0.890 102.5 51.3 -63.5 -40.8 21.8 24.3 43.6 46 46 A V H <4>S+ 0 0 0 -3,-0.8 5,-1.8 319,-0.7 4,-0.4 0.943 117.7 39.1 -59.3 -46.6 22.4 20.9 42.1 47 47 A F H ><5S+ 0 0 50 -4,-1.4 3,-0.8 3,-0.2 -2,-0.2 0.943 117.3 48.0 -69.1 -49.0 21.2 22.1 38.7 48 48 A D H 3<5S+ 0 0 94 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.845 119.9 36.3 -64.6 -37.2 22.8 25.5 38.7 49 49 A L T 3<5S- 0 0 15 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.348 106.7-121.8-101.8 5.2 26.2 24.4 39.8 50 50 A K T < 5 + 0 0 65 -3,-0.8 -3,-0.2 -4,-0.4 22,-0.2 0.889 42.9 179.2 53.8 47.4 26.2 21.1 37.8 51 51 A L < + 0 0 2 -5,-1.8 2,-0.2 -6,-0.3 22,-0.2 -0.411 39.9 37.1 -67.8 152.5 26.7 18.8 40.8 52 52 A G E S+B 72 0B 1 20,-2.4 20,-2.4 -2,-0.1 164,-0.1 -0.667 91.4 10.7 109.0-156.2 26.8 15.1 40.0 53 53 A W E +Bc 71 216B 4 162,-0.6 164,-3.5 -2,-0.2 2,-0.4 -0.278 45.9 177.1 -74.5 142.9 28.1 12.8 37.3 54 54 A D E -B 70 0B 23 16,-2.4 16,-3.0 162,-0.2 2,-0.4 -0.980 4.6-178.1-142.0 127.3 30.4 13.6 34.4 55 55 A V E +B 69 0B 13 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.997 15.2 176.7-123.4 124.3 31.7 11.2 31.8 56 56 A T E -B 68 0B 35 12,-2.4 12,-1.9 -2,-0.4 -2,-0.0 -0.982 35.6-178.3-133.6 142.5 34.1 12.6 29.2 57 57 A A > - 0 0 12 -2,-0.4 3,-1.5 10,-0.2 5,-0.4 0.110 61.3-110.9-111.4 13.6 36.1 11.3 26.3 58 58 A F T 3 S- 0 0 13 1,-0.3 3,-0.1 10,-0.1 -2,-0.1 0.865 70.0 -57.9 57.3 42.1 37.4 14.9 25.7 59 59 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.400 116.8 105.1 74.8 -0.9 35.5 15.2 22.4 60 60 A R S < S- 0 0 99 -3,-1.5 -1,-0.2 6,-0.2 3,-0.1 -0.312 78.1-110.5-106.8-172.0 37.2 12.2 20.9 61 61 A N S S+ 0 0 162 1,-0.2 2,-0.2 -3,-0.1 -3,-0.1 0.118 92.5 69.3-110.5 17.0 36.5 8.5 20.1 62 62 A N >> + 0 0 86 -5,-0.4 4,-2.7 4,-0.2 3,-0.6 -0.657 45.6 172.2-140.9 83.2 38.7 6.6 22.6 63 63 A F T 34 S+ 0 0 32 1,-0.2 -1,-0.1 -2,-0.2 -7,-0.1 0.869 81.3 56.7 -55.4 -43.1 37.5 6.8 26.3 64 64 A A T 34 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.824 115.3 36.3 -61.4 -35.1 40.0 4.2 27.5 65 65 A A T <4 S+ 0 0 34 -3,-0.6 34,-2.2 1,-0.3 2,-0.4 0.844 136.1 16.4 -86.5 -40.3 43.0 6.2 26.1 66 66 A H B < S+j 99 0C 61 -4,-2.7 -1,-0.3 32,-0.2 2,-0.3 -0.898 96.2 96.5-139.0 106.8 41.7 9.7 26.9 67 67 A G - 0 0 0 32,-1.0 2,-0.3 -2,-0.4 -10,-0.2 -0.981 40.6-153.9-175.2 171.8 38.8 10.0 29.3 68 68 A L E -B 56 0B 9 -12,-1.9 -12,-2.4 -2,-0.3 2,-0.4 -0.975 8.5-149.6-160.5 148.3 37.7 10.7 32.8 69 69 A T E +BD 55 93B 0 24,-1.2 24,-2.6 -2,-0.3 2,-0.3 -0.997 28.7 174.0-125.5 126.2 34.8 9.9 35.1 70 70 A L E -BD 54 92B 7 -16,-3.0 -16,-2.4 -2,-0.4 2,-0.4 -0.923 27.3-158.3-133.2 152.5 33.9 12.5 37.8 71 71 A F E -BD 53 91B 0 20,-2.1 20,-2.2 -2,-0.3 2,-0.7 -0.970 17.7-147.9-128.0 120.7 31.3 13.2 40.5 72 72 A T E +BD 52 90B 4 -20,-2.4 -20,-2.4 -2,-0.4 18,-0.3 -0.789 17.6 179.9 -90.1 114.2 31.0 16.9 41.6 73 73 A L E - 0 0 10 16,-2.3 2,-0.3 -2,-0.7 17,-0.2 0.768 61.9 -4.3 -87.3 -32.0 30.1 16.8 45.3 74 74 A R E + D 0 89B 6 15,-1.2 15,-2.0 -22,-0.1 -1,-0.3 -0.971 65.2 158.1-162.9 156.3 29.9 20.6 46.1 75 75 A N - 0 0 3 -2,-0.3 2,-0.3 13,-0.2 10,-0.2 -0.955 22.4-136.5-168.8 172.4 30.6 23.9 44.3 76 76 A G - 0 0 1 -2,-0.3 115,-0.2 10,-0.1 8,-0.2 -0.843 44.5 -66.7-136.2 177.7 29.8 27.6 44.3 77 77 A S > - 0 0 12 6,-2.7 3,-1.6 -2,-0.3 113,-0.1 -0.448 38.2-127.2 -72.1 141.0 29.1 30.2 41.7 78 78 A A T 3 S+ 0 0 35 1,-0.3 -1,-0.1 -2,-0.2 112,-0.1 0.849 111.1 34.6 -51.8 -41.8 31.8 31.1 39.2 79 79 A K T 3 S- 0 0 164 2,-0.4 -1,-0.3 4,-0.0 5,-0.1 0.245 120.2-101.7-103.3 11.9 31.5 34.9 39.9 80 80 A G S < S+ 0 0 34 -3,-1.6 -2,-0.1 3,-0.2 -3,-0.1 0.350 79.8 127.5 88.9 -6.1 30.7 34.5 43.7 81 81 A X - 0 0 147 1,-0.1 -2,-0.4 -5,-0.1 -1,-0.1 -0.996 68.2 -4.6-142.9 143.0 26.9 35.1 43.3 82 82 A P S S+ 0 0 101 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.996 133.5 46.5 -85.5 -11.5 24.3 33.8 44.0 83 83 A Y - 0 0 34 1,-0.1 -6,-2.7 2,-0.1 -3,-0.2 -0.799 69.8-172.7 -92.0 102.4 26.0 30.8 45.5 84 84 A V + 0 0 71 -2,-1.0 -1,-0.1 -8,-0.2 -8,-0.1 0.609 39.8 123.9 -77.0 -15.3 28.8 32.4 47.6 85 85 A K - 0 0 15 -10,-0.2 -5,-0.1 1,-0.2 -8,-0.1 -0.232 47.2-159.6 -47.4 128.3 30.6 29.1 48.6 86 86 A a + 0 0 42 221,-0.1 104,-1.0 -10,-0.1 2,-0.2 0.550 62.7 69.9 -91.5 -8.2 34.2 29.6 47.4 87 87 A Y E - E 0 189B 0 102,-0.2 2,-0.3 -12,-0.1 102,-0.3 -0.703 54.1-170.3-116.6 160.8 35.2 25.9 47.4 88 88 A A E - E 0 188B 0 100,-2.6 100,-2.4 -2,-0.2 2,-0.3 -0.956 4.9-158.9-142.1 159.2 34.4 22.8 45.4 89 89 A E E +DE 74 187B 0 -15,-2.0 -16,-2.3 -2,-0.3 -15,-1.2 -0.993 8.3 179.3-141.6 136.6 35.0 19.1 45.6 90 90 A K E -DE 72 186B 5 96,-2.4 96,-2.5 -2,-0.3 2,-0.4 -0.939 15.0-153.6-125.5 154.9 35.1 16.3 43.0 91 91 A I E -DE 71 185B 7 -20,-2.2 -20,-2.1 -2,-0.3 2,-0.3 -1.000 26.1-174.2-125.2 131.5 35.8 12.6 43.3 92 92 A X E -DE 70 184B 6 92,-3.3 92,-2.3 -2,-0.4 2,-0.5 -0.856 25.8-140.4-131.0 158.7 37.1 10.9 40.2 93 93 A H E -DE 69 183B 2 -24,-2.6 -24,-1.2 -2,-0.3 2,-0.6 -0.981 15.8-171.2-121.6 115.2 38.0 7.6 38.7 94 94 A V E - E 0 182B 0 88,-2.7 88,-3.0 -2,-0.5 3,-0.1 -0.950 18.4-142.1-106.1 116.8 41.1 7.4 36.5 95 95 A R > - 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