==== 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 26-APR-10 3MPB . COMPND 2 MOLECULE: SUGAR ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.M.VAN STAALDUINEN,Z.JIA,MONTREAL-KINGSTON BACTERIAL STRUCT . 453 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 30.5 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 50 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 11.5 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 0 1 3 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 M 0 0 56 0, 0.0 209,-2.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 131.2 28.6 8.4 22.8 2 2 A K B > -a 210 0A 115 207,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.522 360.0-138.6 -78.2 139.2 26.2 5.7 23.6 3 3 A R H > S+ 0 0 5 207,-2.9 4,-3.9 1,-0.2 5,-0.2 0.862 106.6 61.5 -58.5 -36.3 24.0 5.8 26.7 4 4 A S H > S+ 0 0 38 206,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.881 105.5 45.1 -58.6 -40.8 24.7 2.1 27.1 5 5 A A H > S+ 0 0 39 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.899 114.3 49.2 -67.7 -41.4 28.5 2.9 27.4 6 6 A I H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.932 110.7 50.2 -61.9 -47.3 27.6 5.7 29.8 7 7 A N H X S+ 0 0 4 -4,-3.9 4,-2.3 1,-0.2 -2,-0.2 0.941 114.7 45.1 -52.5 -50.0 25.4 3.4 31.9 8 8 A D H X S+ 0 0 93 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.901 112.4 49.6 -60.7 -48.6 28.2 0.8 32.0 9 9 A I H X S+ 0 0 15 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.948 113.8 46.0 -57.7 -49.9 31.0 3.3 32.8 10 10 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.875 110.9 53.4 -64.4 -39.5 28.9 4.8 35.7 11 11 A G H X S+ 0 0 31 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.926 111.8 44.7 -58.6 -47.8 28.0 1.3 36.9 12 12 A H H X S+ 0 0 91 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.892 113.1 51.2 -64.5 -40.8 31.7 0.3 37.1 13 13 A T H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.902 106.9 53.4 -65.0 -40.4 32.6 3.6 38.7 14 14 A R H X S+ 0 0 105 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.905 110.8 47.2 -60.0 -40.7 29.9 3.2 41.4 15 15 A Q H X S+ 0 0 113 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.931 111.4 50.8 -63.8 -46.8 31.4 -0.2 42.3 16 16 A F H X S+ 0 0 18 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.944 111.6 47.7 -57.0 -50.7 34.9 1.2 42.3 17 17 A F H ><>S+ 0 0 3 -4,-3.1 5,-2.3 1,-0.2 3,-1.3 0.947 112.3 49.8 -52.1 -52.2 33.8 4.0 44.7 18 18 A S H ><5S+ 0 0 80 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.897 106.1 55.4 -58.9 -41.3 32.0 1.4 46.9 19 19 A Q H 3<5S+ 0 0 144 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.690 108.9 49.6 -62.8 -22.0 35.1 -0.8 47.0 20 20 A H T <<5S- 0 0 26 -3,-1.3 -1,-0.3 -4,-1.1 -2,-0.2 0.186 119.5-110.9-101.2 14.1 37.0 2.2 48.3 21 21 A D T < 5 + 0 0 50 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.845 65.5 153.7 61.5 32.4 34.4 2.9 51.0 22 22 A V < - 0 0 29 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.803 26.4-162.6 -88.9 134.4 33.3 6.1 49.2 23 23 A H - 0 0 68 -2,-0.4 365,-0.3 320,-0.2 319,-0.0 -0.981 1.3-156.3-124.5 134.1 29.7 7.0 49.9 24 24 A L - 0 0 35 -2,-0.4 365,-0.1 363,-0.1 5,-0.0 -0.704 27.3 -95.4-106.9 156.8 27.8 9.5 47.7 25 25 A P > - 0 0 3 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.275 44.7 -98.9 -67.7 159.1 24.7 11.6 48.6 26 26 A P G > S+ 0 0 58 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.833 120.0 63.5 -44.8 -44.2 21.2 10.3 47.8 27 27 A F G > S+ 0 0 3 1,-0.3 3,-1.0 2,-0.2 8,-0.0 0.696 85.4 76.2 -62.0 -17.3 20.9 12.3 44.5 28 28 A A G < S+ 0 0 4 -3,-2.1 -1,-0.3 1,-0.2 25,-0.1 0.717 102.4 39.0 -60.8 -22.7 23.9 10.3 43.1 29 29 A S G < S+ 0 0 59 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.354 82.4 130.0-114.3 6.5 21.5 7.4 42.6 30 30 A F < - 0 0 29 -3,-1.0 188,-0.5 -4,-0.2 -3,-0.0 -0.414 51.2-137.2 -64.3 130.3 18.3 9.2 41.4 31 31 A S > - 0 0 38 -2,-0.2 4,-2.1 186,-0.1 3,-0.4 -0.412 31.3-101.6 -72.6 160.6 16.8 7.7 38.2 32 32 A P H > S+ 0 0 30 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.893 126.2 57.2 -49.6 -39.4 15.6 10.2 35.5 33 33 A A H > S+ 0 0 57 1,-0.2 4,-0.6 2,-0.2 -3,-0.1 0.899 105.9 48.1 -56.3 -45.6 12.1 9.4 36.9 34 34 A Q H >4 S+ 0 0 102 -3,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.877 108.0 54.2 -67.0 -38.4 13.0 10.5 40.4 35 35 A W H >< S+ 0 0 5 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.860 103.5 59.0 -59.1 -35.7 14.6 13.7 39.1 36 36 A Q H 3< S+ 0 0 133 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.698 105.0 48.9 -67.7 -21.3 11.2 14.4 37.4 37 37 A Q T << S+ 0 0 168 -3,-0.9 -1,-0.2 -4,-0.6 2,-0.2 0.258 85.5 117.8-104.4 8.4 9.4 14.3 40.7 38 38 A L S < S- 0 0 32 -3,-1.2 2,-1.1 -4,-0.2 -3,-0.0 -0.513 76.9-107.9 -80.4 147.1 11.6 16.7 42.7 39 39 A D >> - 0 0 103 -2,-0.2 3,-1.2 1,-0.2 4,-1.1 -0.625 32.6-156.9 -67.3 100.3 10.5 20.0 44.2 40 40 A T T 34 S+ 0 0 70 -2,-1.1 -1,-0.2 1,-0.3 4,-0.1 0.677 87.1 60.1 -61.6 -20.6 12.4 22.2 41.7 41 41 A A T >4 S+ 0 0 49 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.847 106.9 45.0 -73.1 -36.2 12.5 25.1 44.2 42 42 A A T <4 S+ 0 0 13 -3,-1.2 332,-2.9 1,-0.2 3,-0.3 0.715 114.9 47.8 -80.5 -21.1 14.4 23.1 46.8 43 43 A W T >X S+ 0 0 34 -4,-1.1 4,-1.4 330,-0.2 3,-0.7 0.193 70.4 114.7-107.9 15.7 16.9 21.6 44.4 44 44 A E H <> S+ 0 0 72 -3,-0.5 4,-3.5 1,-0.2 5,-0.3 0.800 71.7 60.8 -57.5 -36.1 18.1 24.7 42.4 45 45 A E H 3> S+ 0 0 25 327,-0.6 4,-1.9 -3,-0.3 6,-0.3 0.874 102.4 51.3 -62.7 -40.1 21.6 24.5 43.7 46 46 A V H <>>S+ 0 0 0 -3,-0.7 5,-2.0 326,-0.7 4,-0.6 0.959 117.8 38.9 -58.7 -48.8 22.2 21.1 42.2 47 47 A F H ><5S+ 0 0 6 -4,-1.4 3,-0.7 1,-0.2 -2,-0.2 0.925 117.3 47.4 -68.3 -50.1 21.0 22.3 38.8 48 48 A D H 3<5S+ 0 0 68 -4,-3.5 -1,-0.2 1,-0.2 -3,-0.2 0.841 120.5 37.1 -63.3 -36.8 22.6 25.8 38.8 49 49 A L H 3<5S- 0 0 15 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.397 105.3-123.5-101.5 2.3 26.0 24.6 40.0 50 50 A K T <<5 + 0 0 64 -3,-0.7 22,-0.2 -4,-0.6 -3,-0.2 0.908 42.5 177.4 53.6 49.3 26.0 21.3 38.0 51 51 A L < + 0 0 2 -5,-2.0 2,-0.2 -6,-0.3 22,-0.2 -0.411 39.6 37.1 -71.1 156.1 26.6 19.0 40.9 52 52 A G E S+B 72 0B 1 20,-2.6 20,-2.3 -2,-0.1 167,-0.1 -0.549 92.0 10.9 104.7-159.1 26.6 15.3 40.2 53 53 A W E +Bc 71 219B 4 165,-0.5 167,-3.8 18,-0.2 2,-0.3 -0.203 46.1 176.5 -68.5 142.1 27.9 12.9 37.5 54 54 A D E -B 70 0B 21 16,-2.2 16,-2.7 165,-0.2 2,-0.4 -0.972 4.0-178.7-142.2 126.1 30.1 13.8 34.6 55 55 A V E +B 69 0B 14 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.998 15.3 175.9-123.3 124.5 31.5 11.3 32.0 56 56 A T E -B 68 0B 33 12,-2.2 12,-1.7 -2,-0.4 -2,-0.0 -0.987 36.9-174.4-135.2 142.4 33.8 12.7 29.3 57 57 A A > - 0 0 5 -2,-0.4 3,-1.7 10,-0.2 5,-0.3 0.074 61.4-110.8-108.9 17.2 35.9 11.5 26.4 58 58 A F T 3 - 0 0 14 1,-0.3 3,-0.1 10,-0.1 9,-0.1 0.870 69.4 -59.8 52.8 43.4 37.2 15.0 26.0 59 59 A G T 3 S+ 0 0 19 1,-0.2 -1,-0.3 144,-0.1 147,-0.2 0.591 117.5 107.7 63.2 13.5 35.3 15.4 22.7 60 60 A R S < S- 0 0 83 -3,-1.7 -1,-0.2 6,-0.2 -3,-0.1 -0.447 76.9-113.1-110.8-173.0 37.2 12.5 21.2 61 61 A N S S+ 0 0 161 1,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.168 91.3 69.2-114.6 15.3 36.4 8.8 20.3 62 62 A N >> + 0 0 87 -5,-0.3 4,-2.7 4,-0.2 3,-0.8 -0.701 46.9 174.4-137.6 85.3 38.5 6.7 22.8 63 63 A F T 34 S+ 0 0 32 -2,-0.3 -1,-0.1 1,-0.2 -7,-0.1 0.881 81.7 57.6 -56.1 -45.1 37.2 6.9 26.4 64 64 A A T 34 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.820 115.6 35.9 -56.2 -33.7 39.7 4.3 27.6 65 65 A A T <4 S+ 0 0 32 -3,-0.8 34,-2.3 1,-0.3 2,-0.4 0.835 135.1 16.3 -91.1 -39.2 42.7 6.3 26.3 66 66 A H B < S+j 99 0C 62 -4,-2.7 -1,-0.3 32,-0.2 2,-0.3 -0.897 96.2 94.6-140.3 107.0 41.4 9.8 27.1 67 67 A G - 0 0 0 32,-1.0 2,-0.3 -2,-0.4 -10,-0.2 -0.976 42.1-151.8-175.1 176.0 38.5 10.2 29.5 68 68 A L E -B 56 0B 9 -12,-1.7 -12,-2.2 -2,-0.3 2,-0.4 -0.972 8.6-148.4-163.6 149.0 37.4 10.9 33.0 69 69 A T E +BD 55 93B 0 24,-1.1 24,-2.5 -2,-0.3 2,-0.3 -0.999 29.8 172.3-126.4 125.8 34.5 10.0 35.4 70 70 A L E -BD 54 92B 8 -16,-2.7 -16,-2.2 -2,-0.4 2,-0.4 -0.922 27.0-157.8-134.3 153.6 33.7 12.6 38.0 71 71 A F E -BD 53 91B 0 20,-2.0 20,-2.1 -2,-0.3 2,-0.8 -0.943 16.7-147.7-133.0 117.3 31.1 13.4 40.6 72 72 A T E +BD 52 90B 2 -20,-2.3 -20,-2.6 -2,-0.4 18,-0.3 -0.736 18.1 179.3 -86.4 111.1 30.8 17.0 41.8 73 73 A L E - 0 0 11 16,-2.6 2,-0.3 -2,-0.8 17,-0.2 0.788 62.7 -4.4 -85.6 -31.6 29.8 16.9 45.4 74 74 A R E + D 0 89B 5 15,-1.3 15,-2.0 -22,-0.1 2,-0.3 -0.972 66.3 158.6-162.2 157.0 29.6 20.7 46.3 75 75 A N - 0 0 3 -2,-0.3 2,-0.3 13,-0.3 10,-0.2 -0.959 22.7-133.9-169.6 173.7 30.4 24.0 44.5 76 76 A G - 0 0 1 -2,-0.3 2,-0.2 10,-0.1 115,-0.2 -0.855 42.8 -69.5-137.5 176.4 29.7 27.7 44.4 77 77 A S > - 0 0 12 6,-2.7 3,-2.3 -2,-0.3 113,-0.1 -0.498 36.8-128.3 -74.0 134.7 28.9 30.4 41.8 78 78 A A T 3 S+ 0 0 38 1,-0.3 -1,-0.1 -2,-0.2 112,-0.1 0.802 111.1 37.0 -44.2 -39.8 31.6 31.3 39.4 79 79 A K T 3 S- 0 0 164 2,-0.4 -1,-0.3 4,-0.0 5,-0.1 0.238 118.9-103.6-106.3 14.1 31.2 35.0 40.2 80 80 A G S < S+ 0 0 35 -3,-2.3 -2,-0.1 3,-0.2 -3,-0.1 0.392 80.5 125.3 81.8 -3.5 30.5 34.6 44.0 81 81 A M - 0 0 135 1,-0.1 -2,-0.4 2,-0.1 -1,-0.1 -0.993 68.3 -3.2-146.6 143.3 26.8 35.2 43.6 82 82 A P S S+ 0 0 96 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.996 133.9 45.4 -85.0 -11.4 24.1 34.0 44.2 83 83 A Y - 0 0 35 1,-0.1 -6,-2.7 2,-0.1 -3,-0.2 -0.806 69.6-171.7 -94.1 101.5 25.9 30.9 45.7 84 84 A V + 0 0 70 -2,-0.9 -1,-0.1 -8,-0.2 -8,-0.1 0.622 40.8 123.1 -75.0 -15.7 28.6 32.5 47.9 85 85 A K - 0 0 15 -10,-0.2 -5,-0.2 1,-0.2 -8,-0.1 -0.216 47.3-159.6 -46.9 128.3 30.5 29.2 48.8 86 86 A a + 0 0 40 228,-0.1 104,-1.0 -10,-0.1 2,-0.2 0.538 63.6 69.7 -89.3 -10.6 34.1 29.7 47.6 87 87 A Y E - E 0 189B 0 102,-0.2 2,-0.3 -12,-0.1 102,-0.3 -0.705 54.6-169.9-114.8 163.3 35.0 26.0 47.5 88 88 A A E - E 0 188B 0 100,-2.3 100,-2.2 -2,-0.2 2,-0.3 -0.950 4.9-158.5-143.2 160.4 34.2 22.9 45.5 89 89 A E E +DE 74 187B 2 -15,-2.0 -16,-2.6 -2,-0.3 -15,-1.3 -0.978 8.8 178.2-146.1 134.1 34.7 19.2 45.8 90 90 A K E -DE 72 186B 4 96,-2.2 96,-2.3 -2,-0.3 2,-0.4 -0.923 15.9-153.0-125.5 152.6 34.8 16.3 43.2 91 91 A I E -DE 71 185B 9 -20,-2.1 -20,-2.0 -2,-0.3 2,-0.3 -0.993 27.1-174.8-122.7 136.3 35.4 12.6 43.5 92 92 A M E -DE 70 184B 1 92,-2.7 92,-2.0 -2,-0.4 2,-0.5 -0.861 26.9-138.9-136.1 160.5 36.7 11.0 40.4 93 93 A H E -DE 69 183B 3 -24,-2.5 -24,-1.1 -2,-0.3 2,-0.6 -0.987 15.8-169.9-124.3 113.4 37.7 7.6 38.9 94 94 A V E - E 0 182B 0 88,-2.7 88,-2.9 -2,-0.5 3,-0.1 -0.944 19.3-141.7-103.6 115.8 40.8 7.6 36.8 95 95 A R > - 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