==== 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 22-JUN-09 3HYC . COMPND 2 MOLECULE: 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHAT . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.V.TSODIKOV,T.BISWAS . 1436 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1046 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 177 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 5.4 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 . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 89 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 397 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 47 3.3 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 6 0 2 2 6 1 8 7 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 7 25 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 9 0 1 7 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 . 1 0 0 0 8 0 0 1 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 8 A L 0 0 128 0, 0.0 7,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.7 16.0 39.4 -32.0 2 9 A A E +A 7 0A 27 5,-0.2 2,-0.3 1262,-0.2 1262,-0.1 -0.745 360.0 178.2 -97.2 132.8 19.6 40.5 -32.7 3 10 A T E > -A 6 0A 7 3,-0.8 3,-1.2 -2,-0.4 1262,-0.2 -0.764 45.9-102.4-119.3 172.1 22.7 38.8 -31.3 4 11 A C T 3 S+ 0 0 15 -2,-0.3 -2,-0.0 1,-0.3 1262,-0.0 0.436 123.3 49.5 -78.4 2.5 26.3 39.7 -31.9 5 12 A Y T 3 S- 0 0 38 1,-0.5 -1,-0.3 1263,-0.1 1261,-0.0 0.397 129.6 -74.5-110.5 -5.4 26.7 36.8 -34.3 6 13 A G E < S-A 3 0A 9 -3,-1.2 -3,-0.8 1259,-0.2 -1,-0.5 -0.626 70.2 -39.5 127.8 170.0 23.5 37.8 -36.3 7 14 A P E -A 2 0A 15 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.225 49.9-162.0 -65.6 152.2 19.7 37.6 -35.9 8 15 A V - 0 0 5 -7,-2.9 853,-0.1 140,-0.0 140,-0.0 -0.951 24.9 -98.6-132.0 155.2 17.9 34.7 -34.3 9 16 A S > - 0 0 23 -2,-0.3 4,-2.1 851,-0.2 5,-0.1 -0.284 27.8-119.2 -69.2 155.3 14.3 33.5 -34.4 10 17 A A H > S+ 0 0 78 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.903 114.5 56.7 -58.8 -43.7 11.9 34.3 -31.5 11 18 A D H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 107.8 46.9 -52.2 -52.4 11.4 30.5 -31.0 12 19 A V H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 112.6 49.4 -56.1 -49.2 15.1 30.0 -30.4 13 20 A M H X S+ 0 0 5 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.917 111.8 48.2 -59.5 -46.5 15.4 33.0 -28.0 14 21 A A H X S+ 0 0 40 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.869 110.4 52.0 -61.4 -41.2 12.4 31.7 -26.0 15 22 A K H >< S+ 0 0 77 -4,-2.4 3,-0.9 -5,-0.2 -2,-0.2 0.931 109.1 50.6 -58.7 -47.2 13.9 28.2 -25.9 16 23 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.788 98.6 67.4 -62.0 -31.4 17.2 29.8 -24.6 17 24 A E H 3< S+ 0 0 96 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 103.8 44.3 -55.5 -35.7 15.3 31.7 -21.9 18 25 A N T << S+ 0 0 90 -3,-0.9 2,-0.5 -4,-0.8 -1,-0.2 0.318 81.4 124.7 -98.3 7.0 14.4 28.5 -20.1 19 26 A I < + 0 0 0 -3,-1.3 94,-0.2 -4,-0.2 93,-0.1 -0.567 18.8 159.8 -76.6 121.8 17.7 26.7 -20.3 20 27 A R + 0 0 75 92,-3.2 44,-2.3 -2,-0.5 2,-0.3 0.417 67.6 44.4-114.6 -7.5 19.0 25.6 -16.8 21 28 A L E -bc 64 113B 0 91,-1.4 93,-3.0 42,-0.2 2,-0.6 -0.975 60.4-163.7-145.4 126.2 21.5 23.0 -18.2 22 29 A L E -bc 65 114B 0 42,-3.5 44,-2.4 -2,-0.3 2,-0.5 -0.933 8.4-162.9-112.4 110.7 24.0 23.1 -21.0 23 30 A I E -bc 66 115B 0 91,-3.2 93,-2.0 -2,-0.6 2,-0.4 -0.827 12.3-160.8 -93.0 124.6 25.3 19.7 -22.2 24 31 A L E - c 0 116B 0 42,-3.1 44,-0.5 -2,-0.5 2,-0.2 -0.904 11.2-139.3-115.5 131.0 28.5 20.0 -24.3 25 32 A D > - 0 0 14 91,-1.4 5,-1.0 -2,-0.4 4,-0.1 -0.567 10.9-148.0 -79.9 147.4 30.0 17.5 -26.7 26 33 A V I >>>S+ 0 0 2 42,-0.3 5,-2.0 -2,-0.2 3,-1.2 0.977 74.3 60.9 -79.8 -66.0 33.8 17.1 -26.6 27 34 A D I 345S- 0 0 42 1,-0.2 91,-0.2 3,-0.2 -1,-0.1 -0.516 122.1 -3.1 -79.2 116.2 34.9 16.2 -30.2 28 35 A G I 345S+ 0 0 3 -2,-0.5 126,-0.3 6,-0.1 -1,-0.2 0.497 134.6 54.6 86.6 4.8 34.1 18.8 -32.9 29 36 A V I <45S+ 0 0 0 -3,-1.2 126,-2.7 125,-0.2 130,-0.4 0.532 123.2 17.5-126.8 -65.6 32.3 21.1 -30.5 30 37 A L I < -H 583 0C 0 4,-2.4 3,-1.1 -2,-0.4 545,-0.2 -0.641 32.8-108.1-115.9 173.2 52.2 10.5 -30.7 39 46 A N T 3 S+ 0 0 43 543,-0.8 544,-0.1 1,-0.2 542,-0.0 0.620 115.9 52.4 -76.6 -14.7 54.7 7.7 -30.8 40 47 A N T 3 S- 0 0 143 542,-0.2 -1,-0.2 2,-0.0 541,-0.0 0.194 129.9 -88.1-105.0 14.8 54.9 7.3 -27.0 41 48 A G S < S+ 0 0 45 -3,-1.1 2,-0.3 1,-0.3 -2,-0.1 0.659 73.7 158.7 87.6 18.6 51.1 7.0 -26.6 42 49 A E - 0 0 31 178,-0.1 -4,-2.4 179,-0.0 2,-0.4 -0.594 18.4-173.3 -73.7 131.0 50.5 10.8 -26.2 43 50 A E E +I 37 0C 55 -2,-0.3 178,-1.2 -6,-0.2 2,-0.3 -0.978 7.9 175.1-126.7 117.5 46.9 11.8 -27.0 44 51 A L E -IJ 36 220C 7 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.3 -0.905 10.5-170.9-119.8 150.8 46.2 15.5 -27.1 45 52 A K E - J 0 219C 20 174,-2.1 174,-2.3 -2,-0.3 2,-0.5 -0.977 22.8-121.5-136.1 151.9 43.0 17.5 -28.0 46 53 A A E - J 0 218C 0 -2,-0.3 -14,-0.6 -12,-0.2 2,-0.3 -0.830 24.6-174.3-102.8 123.0 42.5 21.2 -28.5 47 54 A F E -GJ 31 217C 2 170,-2.5 170,-2.7 -2,-0.5 2,-0.4 -0.732 25.6-114.8-105.7 161.7 40.1 23.3 -26.5 48 55 A N E > - J 0 216C 8 -18,-0.6 4,-1.4 -2,-0.3 168,-0.2 -0.842 7.3-149.2-105.0 132.5 39.2 27.0 -27.0 49 56 A V H > S+ 0 0 0 166,-2.9 4,-1.3 -2,-0.4 132,-0.4 0.872 100.0 49.8 -64.2 -41.2 40.1 29.7 -24.5 50 57 A R H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.757 105.0 59.3 -72.3 -26.0 37.1 32.0 -25.3 51 58 A D H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 101.6 55.4 -64.8 -38.5 34.8 28.9 -25.0 52 59 A G H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 127,-0.3 0.898 104.1 53.0 -58.0 -44.3 36.1 28.7 -21.4 53 60 A Y H X S+ 0 0 14 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.909 109.1 49.0 -58.5 -46.2 35.0 32.2 -20.8 54 61 A G H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.888 110.7 51.8 -58.3 -41.3 31.5 31.4 -22.0 55 62 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.874 110.3 46.3 -68.9 -38.7 31.5 28.3 -19.8 56 63 A R H X S+ 0 0 53 -4,-2.6 4,-1.6 123,-0.2 -1,-0.2 0.799 111.4 53.8 -71.4 -27.8 32.5 30.3 -16.6 57 64 A C H X S+ 0 0 2 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.943 111.2 45.6 -65.6 -47.1 29.8 32.9 -17.6 58 65 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.3 0.907 112.4 50.2 -60.7 -46.2 27.2 30.2 -17.8 59 66 A L H ><5S+ 0 0 38 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.829 115.5 41.4 -66.3 -35.1 28.2 28.5 -14.5 60 67 A T H 3<5S+ 0 0 80 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.580 108.4 62.3 -88.9 -12.4 28.2 31.7 -12.5 61 68 A S T 3<5S- 0 0 17 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 -0.125 124.9 -95.9-104.6 33.6 25.0 32.9 -14.2 62 69 A D T < 5S+ 0 0 123 -3,-0.6 2,-0.5 1,-0.2 -3,-0.2 0.678 86.5 125.2 68.6 24.3 23.0 30.0 -12.8 63 70 A I < - 0 0 1 -5,-2.7 -42,-0.2 -6,-0.2 -2,-0.2 -0.966 53.2-139.1-114.4 116.2 23.3 27.7 -15.8 64 71 A E E -b 21 0B 55 -44,-2.3 -42,-3.5 -2,-0.5 2,-0.4 -0.404 12.7-147.8 -73.9 149.5 24.7 24.2 -15.1 65 72 A V E +b 22 0B 0 -44,-0.2 22,-0.7 -2,-0.1 2,-0.3 -0.968 17.4 176.8-124.2 135.5 27.2 22.6 -17.5 66 73 A A E -bd 23 87B 0 -44,-2.4 -42,-3.1 -2,-0.4 2,-0.4 -0.962 14.2-159.9-138.2 152.4 27.6 18.9 -18.3 67 74 A I E - d 0 88B 5 20,-1.8 22,-2.8 -2,-0.3 2,-0.5 -0.998 4.1-160.4-134.9 130.1 29.7 16.6 -20.6 68 75 A I E - d 0 89B 2 -44,-0.5 2,-0.3 -2,-0.4 -42,-0.3 -0.954 20.3-169.1-115.0 121.6 28.9 13.0 -21.6 69 76 A T E - d 0 90B 16 20,-4.1 22,-2.7 -2,-0.5 23,-2.4 -0.869 35.5-131.1-126.1 142.1 31.9 11.1 -22.9 70 77 A G S S- 0 0 57 -2,-0.3 2,-0.3 21,-0.2 -1,-0.1 0.812 89.9 -22.5 -57.7 -40.2 32.6 7.7 -24.7 71 78 A R S S- 0 0 166 20,-0.2 -1,-0.2 18,-0.1 20,-0.1 -0.960 85.0 -53.3-170.7 175.0 35.2 7.1 -22.1 72 79 A K + 0 0 133 -2,-0.3 2,-0.3 18,-0.2 3,-0.1 0.023 47.7 170.6 -42.1 128.1 37.7 8.2 -19.4 73 80 A A >> - 0 0 9 1,-0.1 4,-2.1 147,-0.0 3,-0.6 -0.951 30.0-152.7-142.8 121.7 40.2 10.8 -20.6 74 81 A K H 3> S+ 0 0 87 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.847 98.9 59.6 -59.9 -35.0 42.5 12.7 -18.2 75 82 A L H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.800 106.2 45.8 -64.5 -33.6 42.5 15.6 -20.6 76 83 A V H <> S+ 0 0 5 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.922 113.2 49.8 -74.8 -45.8 38.7 16.0 -20.3 77 84 A E H X S+ 0 0 57 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.924 113.4 47.2 -51.4 -49.3 38.9 15.7 -16.5 78 85 A D H X S+ 0 0 46 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.870 110.7 50.8 -65.5 -39.9 41.7 18.3 -16.5 79 86 A R H X S+ 0 0 10 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.881 110.9 49.6 -63.0 -39.4 39.7 20.7 -18.8 80 87 A C H X>S+ 0 0 5 -4,-2.6 5,-1.3 1,-0.2 4,-0.8 0.752 106.7 56.6 -70.3 -25.9 36.7 20.3 -16.4 81 88 A A H <5S+ 0 0 75 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.898 107.5 47.6 -69.0 -42.8 39.0 21.1 -13.4 82 89 A T H <5S+ 0 0 58 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.886 118.2 39.4 -65.4 -43.4 40.0 24.4 -14.9 83 90 A L H <5S- 0 0 2 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.549 109.4-119.0 -88.5 -8.6 36.5 25.6 -15.9 84 91 A G T <5 + 0 0 37 -4,-0.8 2,-0.5 1,-0.3 -3,-0.2 0.694 55.4 159.2 75.7 19.1 34.9 24.2 -12.7 85 92 A I < + 0 0 10 -5,-1.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.665 10.1 171.7 -70.5 120.1 32.7 21.9 -14.6 86 93 A T + 0 0 108 -2,-0.5 2,-1.4 -21,-0.3 -1,-0.2 0.760 52.2 83.7-102.7 -32.5 31.7 19.2 -12.1 87 94 A H E +d 66 0B 50 -22,-0.7 -20,-1.8 -7,-0.1 2,-0.4 -0.565 58.5 155.8 -81.3 89.8 29.0 17.2 -13.9 88 95 A L E -d 67 0B 46 -2,-1.4 2,-0.6 -22,-0.2 -20,-0.2 -0.962 25.7-169.9-124.3 126.5 31.1 14.7 -16.0 89 96 A Y E -d 68 0B 44 -22,-2.8 -20,-4.1 -2,-0.4 2,-0.5 -0.927 11.8-179.9-118.3 107.5 30.0 11.3 -17.4 90 97 A Q E +d 69 0B 47 -2,-0.6 -20,-0.2 -22,-0.2 -18,-0.2 -0.922 61.8 30.8-113.9 125.3 32.8 9.2 -18.9 91 98 A G S S+ 0 0 33 -22,-2.7 2,-0.8 -2,-0.5 -21,-0.2 0.713 72.3 155.6 102.7 29.1 32.2 5.7 -20.4 92 99 A Q + 0 0 51 -23,-2.4 -1,-0.2 -3,-0.3 -21,-0.0 -0.808 24.7 179.7 -93.1 104.3 28.7 6.2 -21.7 93 100 A S S S+ 0 0 128 -2,-0.8 -1,-0.2 2,-0.0 -2,-0.1 1.000 85.0 37.2 -50.8 -68.8 27.8 3.8 -24.5 94 101 A N - 0 0 76 -3,-0.1 -3,-0.1 1,-0.1 -2,-0.0 0.172 66.8-161.7 -61.8-174.3 24.4 5.6 -24.4 95 102 A K S > S+ 0 0 24 3,-0.0 4,-2.4 27,-0.0 5,-0.1 0.284 84.7 69.5-142.0 -25.5 23.9 9.3 -23.7 96 103 A L H > S+ 0 0 44 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.841 94.9 57.5 -60.9 -38.3 20.2 9.1 -22.8 97 104 A I H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 110.7 41.3 -59.7 -49.5 21.1 7.2 -19.6 98 105 A A H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.920 114.7 52.9 -64.2 -44.7 23.4 10.1 -18.4 99 106 A F H X S+ 0 0 11 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.912 107.9 51.0 -54.0 -48.5 20.8 12.6 -19.6 100 107 A S H X S+ 0 0 68 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.897 108.9 51.8 -55.6 -43.9 18.1 10.8 -17.6 101 108 A D H X S+ 0 0 57 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.865 108.6 49.7 -64.8 -39.7 20.3 11.0 -14.5 102 109 A L H < S+ 0 0 1 -4,-2.1 6,-0.3 2,-0.2 -1,-0.2 0.917 108.1 54.6 -63.4 -45.6 20.9 14.7 -14.8 103 110 A L H ><>S+ 0 0 24 -4,-2.1 5,-2.2 1,-0.2 3,-0.6 0.895 115.7 37.4 -53.9 -48.4 17.2 15.4 -15.2 104 111 A E H ><5S+ 0 0 137 -4,-1.8 3,-1.5 1,-0.2 2,-0.4 0.954 115.7 50.1 -72.7 -53.7 16.2 13.6 -12.0 105 112 A K T 3<5S+ 0 0 121 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 -0.022 119.0 39.6 -83.2 34.0 19.2 14.6 -9.8 106 113 A L T < 5S- 0 0 53 -3,-0.6 -1,-0.3 -2,-0.4 -2,-0.2 0.202 104.6-122.8-152.2 2.8 18.7 18.3 -10.7 107 114 A A T < 5 + 0 0 100 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.870 64.2 144.3 47.5 46.0 14.9 18.5 -10.7 108 115 A I < - 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