==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JUL-09 3I6B . COMPND 2 MOLECULE: 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHAT . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.BISWAS,O.V.TSODIKOV . 698 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 7.3 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 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 . 39 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.4 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 4 0 0 1 3 0 4 3 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 12 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 . 3 7 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 4 0 0 0 0 1 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 7 A S 0 0 126 0, 0.0 2,-0.5 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 -7.8 6.8 6.1 -7.3 2 8 A L B -A 9 0A 80 7,-2.6 7,-3.2 5,-0.0 2,-0.3 -0.942 360.0-134.7-112.6 124.8 5.9 2.6 -5.8 3 9 A A + 0 0 86 -2,-0.5 2,-0.3 5,-0.2 7,-0.0 -0.550 27.7 170.7 -76.8 133.2 7.6 1.3 -2.7 4 10 A T > - 0 0 28 3,-0.3 3,-0.8 -2,-0.3 162,-0.0 -0.839 48.6-102.6-127.6 175.6 8.8 -2.4 -2.5 5 11 A C T 3 S+ 0 0 48 -2,-0.3 -2,-0.0 1,-0.3 157,-0.0 0.559 124.7 47.4 -78.8 -6.5 10.9 -4.2 0.0 6 12 A Y T 3 S- 0 0 33 1,-0.5 -1,-0.3 156,-0.1 -3,-0.0 0.449 129.3 -82.8-103.9 -7.4 13.9 -4.0 -2.3 7 13 A G < - 0 0 18 -3,-0.8 -1,-0.5 2,-0.0 -3,-0.3 -0.684 69.0 -27.2 129.5 175.7 13.3 -0.3 -3.0 8 14 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.342 52.0-169.5 -62.8 135.2 11.2 2.0 -5.2 9 15 A V B -A 2 0A 7 -7,-3.2 -7,-2.6 -2,-0.1 2,-0.1 -0.932 27.1-105.5-121.8 151.3 9.9 0.8 -8.5 10 16 A S > - 0 0 47 -2,-0.3 4,-1.8 -9,-0.2 3,-0.2 -0.422 23.6-121.9 -72.9 150.3 8.2 2.8 -11.3 11 17 A A H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.801 114.0 60.6 -58.6 -30.1 4.5 2.5 -11.8 12 18 A D H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 104.5 46.0 -64.3 -47.4 5.4 1.5 -15.4 13 19 A V H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.893 112.7 51.7 -62.1 -39.9 7.4 -1.5 -14.2 14 20 A M H X S+ 0 0 22 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.887 108.7 50.3 -65.6 -41.7 4.5 -2.5 -11.8 15 21 A A H X S+ 0 0 62 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.885 111.2 48.6 -62.2 -43.6 1.9 -2.2 -14.7 16 22 A K H >< S+ 0 0 72 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.900 111.9 50.4 -59.5 -42.1 4.1 -4.5 -16.9 17 23 A A H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.774 100.6 62.2 -71.3 -30.9 4.5 -6.9 -14.0 18 24 A E H 3< S+ 0 0 98 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 103.9 51.1 -61.6 -29.7 0.7 -7.1 -13.3 19 25 A N T << S+ 0 0 57 -4,-0.8 2,-0.4 -3,-0.6 -1,-0.2 0.334 81.5 121.2 -94.2 4.6 0.2 -8.5 -16.8 20 26 A I < + 0 0 0 -3,-1.1 94,-0.2 1,-0.1 93,-0.1 -0.591 22.2 162.0 -82.8 123.8 2.8 -11.4 -16.6 21 27 A R S S+ 0 0 104 92,-2.7 44,-2.3 -2,-0.4 2,-0.3 0.420 70.9 42.2-111.9 -6.6 1.6 -15.0 -17.1 22 28 A L E -bc 65 114B 0 91,-1.4 93,-2.5 42,-0.2 2,-0.6 -0.967 60.0-161.6-147.7 126.6 5.1 -16.4 -17.7 23 29 A L E -bc 66 115B 0 42,-3.3 44,-2.7 -2,-0.3 2,-0.5 -0.937 13.4-163.5-105.9 113.7 8.5 -15.9 -16.1 24 30 A I E -bc 67 116B 0 91,-3.5 93,-2.2 -2,-0.6 2,-0.4 -0.873 11.4-166.1 -98.4 131.7 11.4 -17.0 -18.3 25 31 A L E -bc 68 117B 0 42,-3.0 44,-1.6 -2,-0.5 2,-0.2 -0.921 19.0-139.4-120.5 142.1 14.7 -17.5 -16.6 26 32 A D - 0 0 8 91,-1.3 5,-0.3 -2,-0.4 44,-0.1 -0.580 14.5-150.9 -73.9 155.2 18.3 -17.9 -17.6 27 33 A V S >>>S+ 0 0 1 42,-0.3 4,-2.6 -2,-0.2 3,-2.0 0.879 74.9 63.5 -86.7 -74.1 20.3 -20.4 -15.6 28 34 A D T 345S+ 0 0 14 1,-0.3 -1,-0.2 2,-0.2 91,-0.1 -0.345 121.9 1.2 -68.1 108.7 23.9 -19.3 -15.6 29 35 A G T 345S+ 0 0 2 -2,-0.4 -1,-0.3 6,-0.1 126,-0.3 0.333 132.8 55.2 100.8 -5.9 24.3 -15.9 -13.9 30 36 A V T <45S+ 0 0 0 -3,-2.0 126,-1.8 125,-0.2 130,-0.4 0.664 121.7 20.8-119.6 -54.2 20.6 -15.6 -13.0 31 37 A L T <5S+ 0 0 10 -4,-2.6 18,-0.9 -5,-0.3 2,-0.2 0.722 139.7 29.7 -86.9 -26.0 19.8 -18.7 -11.0 32 38 A S S -G 220 0C 1 4,-1.9 3,-1.4 -2,-0.4 181,-0.2 -0.697 34.8-103.7-120.8 171.0 36.6 -31.6 -12.0 40 46 A N T 3 S+ 0 0 41 179,-1.4 210,-0.1 1,-0.3 180,-0.1 0.484 118.1 52.1 -73.0 -5.5 39.2 -34.1 -13.2 41 47 A N T 3 S- 0 0 120 178,-0.2 -1,-0.3 209,-0.0 177,-0.0 0.357 128.5 -92.2-106.3 2.4 36.7 -36.9 -13.4 42 48 A G S < S+ 0 0 40 -3,-1.4 -2,-0.1 1,-0.3 2,-0.0 0.533 72.2 159.8 95.2 11.0 34.3 -35.0 -15.5 43 49 A E - 0 0 19 523,-0.1 -4,-1.9 524,-0.1 2,-0.4 -0.348 19.3-169.5 -61.5 143.6 32.3 -33.6 -12.6 44 50 A E E +H 38 0C 27 -6,-0.2 523,-1.4 176,-0.0 2,-0.3 -0.967 7.6 176.8-138.1 123.8 30.2 -30.6 -13.2 45 51 A L E -HI 37 566C 8 -8,-2.5 -8,-1.8 -2,-0.4 2,-0.3 -0.863 10.4-170.5-121.5 157.5 28.6 -28.6 -10.5 46 52 A K E - I 0 565C 1 519,-2.0 519,-2.9 -2,-0.3 2,-0.6 -0.982 22.2-126.8-141.3 151.4 26.5 -25.4 -10.3 47 53 A A E - I 0 564C 2 -12,-0.4 -14,-0.4 -2,-0.3 2,-0.3 -0.888 25.0-171.1-106.6 113.9 25.4 -23.4 -7.2 48 54 A F E - I 0 563C 4 515,-3.0 515,-3.2 -2,-0.6 2,-0.5 -0.721 22.3-122.4 -98.7 151.0 21.7 -22.6 -6.9 49 55 A N E > - I 0 562C 7 -18,-0.9 4,-0.9 -2,-0.3 513,-0.2 -0.794 9.8-151.8 -94.3 129.8 20.1 -20.2 -4.3 50 56 A V H > S+ 0 0 29 511,-2.7 4,-1.4 -2,-0.5 3,-0.2 0.827 94.2 57.9 -72.9 -31.2 17.4 -21.7 -2.1 51 57 A R H > S+ 0 0 38 510,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.855 101.2 57.2 -67.3 -34.4 15.5 -18.5 -1.5 52 58 A D H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.844 102.0 58.6 -57.6 -36.9 15.0 -18.2 -5.3 53 59 A G H X S+ 0 0 3 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.923 103.1 48.8 -61.1 -49.7 13.4 -21.6 -5.1 54 60 A Y H X S+ 0 0 92 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.894 111.8 50.8 -57.9 -43.6 10.7 -20.5 -2.7 55 61 A G H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.937 110.9 48.3 -57.8 -50.2 10.0 -17.5 -4.9 56 62 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.874 110.7 51.5 -56.1 -41.9 9.7 -19.8 -7.9 57 63 A R H X S+ 0 0 102 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.859 110.0 49.7 -66.3 -38.1 7.4 -22.1 -6.0 58 64 A C H < S+ 0 0 26 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.892 109.1 52.0 -65.2 -43.4 5.2 -19.1 -5.1 59 65 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-1.2 0.935 110.7 48.0 -55.4 -48.9 5.0 -18.0 -8.7 60 66 A L H ><5S+ 0 0 35 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.847 112.5 47.6 -64.9 -36.6 3.9 -21.5 -9.8 61 67 A T T 3<5S+ 0 0 97 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.431 108.3 60.4 -82.7 -0.4 1.2 -21.7 -7.1 62 68 A S T < 5S- 0 0 28 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 -0.088 122.6 -94.7-119.9 33.4 0.1 -18.2 -8.1 63 69 A D T < 5S+ 0 0 81 -3,-0.7 2,-0.6 1,-0.2 -3,-0.2 0.674 88.1 123.5 67.6 19.5 -0.9 -18.7 -11.8 64 70 A I < - 0 0 2 -5,-2.2 -2,-0.2 -6,-0.2 -42,-0.2 -0.963 53.8-143.4-112.4 116.9 2.5 -17.7 -13.1 65 71 A E E -b 22 0B 58 -44,-2.3 -42,-3.3 -2,-0.6 2,-0.4 -0.477 11.1-150.9 -74.3 149.1 4.3 -20.2 -15.3 66 72 A V E +b 23 0B 0 -44,-0.2 22,-0.7 -2,-0.1 21,-0.3 -0.991 16.1 179.4-126.5 128.7 8.1 -20.5 -15.1 67 73 A A E -bd 24 88B 0 -44,-2.7 -42,-3.0 -2,-0.4 2,-0.5 -0.924 17.0-146.3-129.3 155.1 10.3 -21.6 -17.9 68 74 A I E -bd 25 89B 5 20,-2.4 22,-3.1 -2,-0.3 2,-0.5 -0.984 12.1-179.4-124.3 122.3 14.0 -22.0 -18.4 69 75 A I E + d 0 90B 0 -44,-1.6 2,-0.3 -2,-0.5 -42,-0.3 -0.990 18.7 168.1-116.3 121.8 15.9 -21.4 -21.7 70 76 A T - 0 0 5 20,-2.8 23,-2.6 -2,-0.5 22,-0.2 -0.976 40.7-143.6-138.3 148.4 19.6 -22.1 -21.5 71 77 A G S S+ 0 0 45 -2,-0.3 2,-0.1 21,-0.3 -1,-0.1 0.784 85.4 69.1 -77.1 -30.6 22.6 -22.5 -23.9 72 78 A R S S- 0 0 45 20,-0.1 20,-1.6 19,-0.1 2,-0.4 -0.391 73.3-139.4 -85.0 163.9 24.2 -25.2 -21.9 73 79 A K + 0 0 138 18,-0.2 2,-0.3 19,-0.1 3,-0.1 -0.993 34.0 146.6-128.1 125.7 23.0 -28.8 -21.3 74 80 A A >> - 0 0 5 -2,-0.4 4,-1.2 1,-0.1 3,-0.8 -0.965 48.7-136.6-159.1 138.7 23.2 -30.6 -18.0 75 81 A K H 3> S+ 0 0 102 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.797 104.1 67.5 -61.7 -31.9 21.3 -33.1 -15.9 76 82 A L H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.819 99.6 49.6 -60.3 -33.2 21.8 -30.9 -12.8 77 83 A V H <> S+ 0 0 5 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.896 109.7 51.0 -71.8 -41.4 19.5 -28.3 -14.3 78 84 A E H X S+ 0 0 59 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.902 110.8 50.0 -59.5 -41.4 16.9 -31.0 -15.1 79 85 A D H X S+ 0 0 49 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.903 109.3 50.1 -64.5 -44.1 17.2 -32.1 -11.4 80 86 A R H X S+ 0 0 25 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.871 110.5 51.0 -62.2 -39.2 16.7 -28.5 -10.1 81 87 A C H X>S+ 0 0 5 -4,-2.2 5,-2.2 2,-0.2 4,-1.5 0.908 107.6 51.8 -65.1 -44.3 13.6 -28.1 -12.3 82 88 A A H <5S+ 0 0 79 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.901 109.7 50.8 -58.9 -43.1 12.1 -31.4 -11.0 83 89 A T H <5S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.922 115.9 40.9 -57.2 -47.5 12.6 -30.2 -7.4 84 90 A L H <5S- 0 0 10 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.602 112.5-115.5 -82.1 -13.4 10.9 -26.8 -8.2 85 91 A G T <5 + 0 0 33 -4,-1.5 2,-0.5 1,-0.3 -3,-0.2 0.682 59.9 154.5 82.4 19.1 8.1 -28.2 -10.3 86 92 A I < + 0 0 8 -5,-2.2 -1,-0.3 -6,-0.2 -19,-0.1 -0.718 15.1 173.0 -78.9 122.3 9.3 -26.4 -13.5 87 93 A T + 0 0 108 -2,-0.5 2,-1.0 -21,-0.3 -1,-0.2 0.671 57.4 79.2-104.5 -23.0 8.1 -28.4 -16.5 88 94 A H E +d 67 0B 37 -22,-0.7 -20,-2.4 -7,-0.1 2,-0.4 -0.754 58.4 154.2 -93.3 98.5 9.2 -26.0 -19.3 89 95 A L E -d 68 0B 48 -2,-1.0 2,-0.5 -22,-0.2 -20,-0.2 -0.991 21.3-176.2-130.8 127.9 12.9 -26.5 -19.9 90 96 A Y E -d 69 0B 31 -22,-3.1 -20,-2.8 -2,-0.4 3,-0.3 -0.965 13.1-179.6-126.9 112.8 14.9 -25.8 -23.1 91 97 A Q + 0 0 25 -2,-0.5 -18,-0.2 -22,-0.2 -20,-0.2 -0.769 58.7 31.3-113.3 157.1 18.6 -26.8 -23.0 92 98 A G S S+ 0 0 43 -20,-1.6 2,-0.9 -2,-0.3 -21,-0.3 0.786 76.1 160.9 69.8 30.8 21.3 -26.5 -25.6 93 99 A Q + 0 0 46 -23,-2.6 -1,-0.2 -21,-0.3 3,-0.2 -0.748 21.5 170.3 -93.7 104.0 19.7 -23.4 -27.1 94 100 A S S S+ 0 0 107 -2,-0.9 2,-0.6 1,-0.3 -1,-0.2 0.875 82.0 42.0 -73.5 -40.0 22.1 -21.3 -29.2 95 101 A N >> - 0 0 69 1,-0.1 3,-0.8 -24,-0.0 4,-0.6 -0.936 69.6-169.3-110.6 111.5 19.1 -19.2 -30.4 96 102 A K H 3> S+ 0 0 13 -2,-0.6 4,-1.9 26,-0.3 -1,-0.1 0.657 77.1 73.8 -76.8 -16.2 16.7 -18.4 -27.6 97 103 A L H 3> S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.777 90.2 59.7 -65.3 -28.9 14.0 -17.0 -29.9 98 104 A I H <> S+ 0 0 111 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.928 108.8 41.3 -68.7 -45.1 13.1 -20.5 -31.1 99 105 A A H X S+ 0 0 2 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.892 113.0 56.6 -66.4 -39.9 12.2 -21.7 -27.6 100 106 A F H X S+ 0 0 8 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.929 107.1 47.7 -54.8 -51.4 10.4 -18.3 -26.9 101 107 A S H X S+ 0 0 72 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.884 109.9 53.7 -54.7 -44.8 8.2 -18.8 -29.9 102 108 A D H X S+ 0 0 57 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.887 107.9 49.5 -61.1 -42.1 7.4 -22.4 -28.8 103 109 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 6,-0.3 0.882 105.9 56.8 -65.6 -40.9 6.3 -21.1 -25.3 104 110 A L H X>S+ 0 0 27 -4,-1.9 5,-1.5 1,-0.2 4,-0.6 0.910 114.0 38.4 -56.9 -46.0 4.0 -18.5 -26.8 105 111 A E H <5S+ 0 0 167 -4,-1.7 3,-0.2 3,-0.2 -2,-0.2 0.909 116.6 50.1 -74.3 -43.3 2.0 -21.1 -28.8 106 112 A K H <5S+ 0 0 136 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.905 121.7 33.7 -61.1 -42.6 2.1 -23.8 -26.1 107 113 A L H <5S- 0 0 48 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.488 103.2-130.7 -92.6 -4.1 0.8 -21.4 -23.4 108 114 A A T <5 + 0 0 88 -4,-0.6 2,-0.2 -5,-0.2 -3,-0.2 0.870 60.9 133.5 55.3 42.7 -1.3 -19.3 -25.8 109 115 A I < - 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