==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-OCT-04 1XVI . COMPND 2 MOLECULE: PUTATIVE MANNOSYL-3-PHOSPHOGLYCERATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR Y.KIM,A.JOACHIMIAK,M.CYMBOROWSKI,T.SKARINA,A.SAVCHENKO, . 466 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 9.7 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 . 0 0.0 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 . 34 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 2 0 1 3 2 2 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 7 1 2 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 . 0 0 2 0 0 2 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 4 A I 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.5 -4.4 7.7 32.4 2 5 A Q - 0 0 102 1,-0.2 200,-0.1 3,-0.0 3,-0.0 -0.185 360.0 -78.8 -71.6 161.6 -1.4 5.2 32.6 3 6 A Q - 0 0 24 335,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.357 56.4-113.3 -55.8 127.6 2.2 6.0 31.9 4 7 A P - 0 0 9 0, 0.0 201,-2.3 0, 0.0 2,-0.5 -0.571 29.3-170.5 -71.4 131.5 2.6 6.0 28.1 5 8 A L E -a 205 0A 84 32,-0.5 2,-0.4 -2,-0.3 201,-0.2 -0.962 20.1-170.9-118.7 104.1 4.7 3.2 26.7 6 9 A L E -a 206 0A 3 199,-2.6 201,-2.6 -2,-0.5 2,-0.5 -0.858 19.3-159.6-115.4 133.7 5.2 4.1 23.0 7 10 A V E -ab 207 40A 17 32,-2.6 34,-4.1 -2,-0.4 2,-0.6 -0.924 4.3-162.2-108.8 123.4 6.7 2.3 20.1 8 11 A F E -ab 208 41A 0 199,-3.4 201,-2.7 -2,-0.5 2,-0.7 -0.918 14.4-166.0-102.3 113.4 7.8 4.2 17.0 9 12 A S E +ab 209 42A 3 32,-2.2 34,-2.4 -2,-0.6 2,-0.5 -0.872 24.6 169.4-112.1 111.0 8.1 1.8 14.1 10 13 A D E +a 210 0A 11 199,-3.3 201,-0.7 -2,-0.7 34,-0.1 -0.628 41.2 122.9-110.2 69.4 10.0 2.7 10.9 11 14 A L >>> + 0 0 12 -2,-0.5 4,-2.7 199,-0.2 3,-1.9 -0.192 19.2 153.2-131.9 39.0 9.9 -0.9 9.5 12 15 A D T 345S+ 0 0 42 31,-0.3 199,-0.1 1,-0.3 -2,-0.0 -0.617 78.4 32.9 -65.1 124.5 8.2 -0.9 6.1 13 16 A G T 345S+ 0 0 67 -2,-0.4 -1,-0.3 0, 0.0 5,-0.1 0.372 121.3 49.2 103.0 -5.6 9.9 -3.9 4.5 14 17 A T T <45S+ 0 0 58 -3,-1.9 -2,-0.2 215,-0.1 4,-0.1 0.538 117.0 36.1-118.4 -46.1 10.3 -5.9 7.6 15 18 A L T <5S+ 0 0 46 -4,-2.7 11,-0.4 2,-0.1 2,-0.2 0.853 105.1 78.0 -72.4 -39.6 6.8 -5.7 9.1 16 19 A L S - 0 0 13 -2,-0.7 3,-1.5 33,-0.6 -8,-0.1 -0.822 28.9-144.3 -97.8 125.3 -1.1 -8.5 7.1 25 28 A P T 3 S+ 0 0 75 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.821 101.0 56.8 -51.3 -34.4 0.6 -11.2 9.2 26 29 A A T 3> S+ 0 0 11 -11,-0.4 4,-2.5 1,-0.2 5,-0.3 0.675 83.5 88.0 -74.4 -18.0 1.3 -8.5 11.9 27 30 A A H <> S+ 0 0 17 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.864 85.1 47.1 -52.9 -53.8 -2.3 -7.5 12.4 28 31 A P H > S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.891 116.4 47.0 -57.8 -39.1 -3.5 -9.9 15.1 29 32 A W H > S+ 0 0 190 -4,-0.4 4,-1.9 -3,-0.3 -2,-0.2 0.952 114.5 44.3 -61.0 -55.7 -0.3 -9.2 17.1 30 33 A L H X S+ 0 0 14 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.818 108.4 58.6 -65.3 -32.1 -0.5 -5.4 16.8 31 34 A T H X S+ 0 0 50 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.943 107.3 47.8 -59.5 -48.9 -4.2 -5.5 17.6 32 35 A R H X S+ 0 0 184 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.870 109.9 52.2 -60.0 -39.9 -3.4 -7.2 20.9 33 36 A L H <>S+ 0 0 66 -4,-1.9 5,-2.7 1,-0.2 -1,-0.2 0.879 107.8 52.1 -61.7 -40.4 -0.7 -4.6 21.7 34 37 A R H ><5S+ 0 0 77 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.886 108.7 50.2 -61.5 -39.9 -3.1 -1.9 21.1 35 38 A E H 3<5S+ 0 0 149 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.763 108.1 53.5 -69.2 -29.2 -5.6 -3.5 23.5 36 39 A A T 3<5S- 0 0 68 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.374 121.4-110.7 -82.5 1.7 -2.8 -3.7 26.1 37 40 A N T < 5S+ 0 0 69 -3,-1.1 -32,-0.5 1,-0.1 -3,-0.2 0.907 78.6 130.2 58.5 48.2 -2.2 0.0 25.7 38 41 A V < - 0 0 43 -5,-2.7 -1,-0.1 -8,-0.1 -32,-0.1 -0.764 48.2-155.0-118.7 79.7 1.2 -0.3 23.9 39 42 A P - 0 0 6 0, 0.0 -32,-2.6 0, 0.0 2,-0.7 -0.331 6.5-148.6 -62.6 131.7 0.6 2.0 20.9 40 43 A V E -b 7 0A 5 -34,-0.2 2,-0.8 -10,-0.1 -32,-0.2 -0.913 10.8-158.8 -99.5 112.8 2.6 1.3 17.8 41 44 A I E -b 8 0A 0 -34,-4.1 -32,-2.2 -2,-0.7 24,-0.2 -0.832 12.7-141.8 -94.1 107.2 3.2 4.6 16.0 42 45 A L E -bc 9 65A 4 -2,-0.8 24,-3.0 22,-0.6 2,-0.4 -0.494 16.8-166.5 -71.2 137.9 4.0 4.0 12.4 43 46 A C E + c 0 66A 0 -34,-2.4 2,-0.3 22,-0.2 -31,-0.3 -0.994 18.8 148.1-130.3 128.6 6.6 6.2 10.9 44 47 A S - 0 0 0 22,-2.0 25,-1.9 -2,-0.4 26,-0.5 -0.988 57.2-129.7-155.3 160.7 7.4 6.5 7.2 45 48 A S S S+ 0 0 34 -2,-0.3 22,-0.1 23,-0.3 -1,-0.1 0.616 82.7 108.4 -79.2 -17.0 8.4 8.5 4.1 46 49 A K S S- 0 0 45 20,-0.1 22,-3.1 1,-0.1 23,-0.2 -0.113 80.3 -89.7 -63.2 160.6 5.2 7.1 2.5 47 50 A T > - 0 0 2 20,-0.2 4,-2.8 21,-0.1 5,-0.2 -0.177 30.4-112.2 -73.4 162.3 2.3 9.3 1.9 48 51 A S H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.874 117.0 50.9 -61.7 -41.1 -0.6 9.9 4.3 49 52 A A H > S+ 0 0 26 90,-0.5 4,-1.7 87,-0.3 -1,-0.2 0.918 113.3 45.8 -61.8 -46.7 -3.1 8.0 2.2 50 53 A E H > S+ 0 0 10 86,-0.6 4,-2.6 89,-0.3 -2,-0.2 0.967 114.9 46.7 -57.9 -56.9 -0.8 5.0 1.9 51 54 A M H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.805 109.2 53.7 -60.4 -35.6 0.0 5.0 5.6 52 55 A L H X S+ 0 0 53 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.903 111.2 47.9 -69.1 -36.7 -3.6 5.4 6.7 53 56 A Y H X S+ 0 0 74 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.945 114.2 44.9 -61.4 -51.9 -4.4 2.4 4.6 54 57 A L H X S+ 0 0 8 -4,-2.6 4,-1.7 1,-0.2 6,-0.2 0.944 110.4 55.0 -61.9 -46.3 -1.5 0.3 6.0 55 58 A Q H <>S+ 0 0 3 -4,-3.0 5,-2.7 1,-0.2 6,-0.5 0.869 108.4 49.3 -49.6 -44.6 -2.4 1.4 9.5 56 59 A K H ><5S+ 0 0 91 -4,-1.6 3,-1.1 4,-0.2 -1,-0.2 0.922 110.5 48.6 -67.6 -42.0 -5.9 0.1 9.1 57 60 A T H 3<5S+ 0 0 17 -4,-2.0 -33,-0.6 1,-0.2 -1,-0.2 0.736 109.8 54.6 -68.6 -22.4 -4.8 -3.3 7.7 58 61 A L T 3<5S- 0 0 2 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.493 118.6-109.2 -89.0 -6.4 -2.4 -3.6 10.6 59 62 A G T < 5S+ 0 0 21 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.579 90.4 110.9 92.8 11.4 -5.1 -3.1 13.3 60 63 A L > < + 0 0 1 -5,-2.7 3,-1.6 -6,-0.2 -4,-0.2 0.302 32.3 140.3-110.0 8.7 -3.8 0.3 14.2 61 64 A Q T 3 + 0 0 112 -6,-0.5 -9,-0.0 1,-0.3 15,-0.0 -0.231 68.3 33.7 -57.0 135.9 -6.5 2.7 13.0 62 65 A G T 3 S+ 0 0 14 1,-0.4 15,-2.8 13,-0.1 16,-0.4 0.328 96.1 108.5 96.2 -6.6 -7.1 5.6 15.4 63 66 A L S < S- 0 0 17 -3,-1.6 -1,-0.4 13,-0.2 -3,-0.0 -0.662 78.1 -95.6 -95.6 155.6 -3.5 5.8 16.6 64 67 A P - 0 0 0 0, 0.0 -22,-0.6 0, 0.0 2,-0.3 -0.289 44.9-177.6 -61.8 157.0 -1.0 8.5 15.7 65 68 A L E -cD 42 74A 0 9,-1.3 9,-2.2 -24,-0.2 2,-0.5 -0.972 25.2-130.1-151.9 159.0 1.3 8.0 12.7 66 69 A I E +cD 43 73A 0 -24,-3.0 -22,-2.0 -2,-0.3 2,-0.3 -0.968 32.2 178.2-114.2 117.1 4.1 9.9 11.0 67 70 A A E > > + D 0 72A 0 5,-2.5 5,-1.8 -2,-0.5 3,-1.6 -0.767 54.6 20.9-115.4 160.5 3.8 10.3 7.2 68 71 A E G > 5S- 0 0 1 -22,-3.1 3,-1.7 1,-0.3 -23,-0.3 0.832 129.7 -57.8 52.6 46.7 5.8 11.9 4.5 69 72 A N G 3 5S- 0 0 11 -25,-1.9 -1,-0.3 1,-0.3 -24,-0.2 0.774 109.8 -45.5 56.7 29.9 9.0 12.1 6.5 70 73 A G G < 5S+ 0 0 9 -3,-1.6 114,-0.3 -26,-0.5 -1,-0.3 0.343 113.1 112.8 96.8 -3.4 7.2 14.1 9.2 71 74 A A T < 5S+ 0 0 2 -3,-1.7 19,-2.1 -4,-0.4 2,-0.4 0.603 82.3 43.9 -72.4 -12.4 5.5 16.6 6.9 72 75 A V E < -DE 67 89A 0 -5,-1.8 -5,-2.5 17,-0.2 2,-0.5 -0.998 66.0-173.4-135.3 132.6 2.2 14.9 8.0 73 76 A I E -DE 66 88A 13 15,-2.3 15,-2.5 -2,-0.4 2,-0.4 -0.969 11.8-154.3-125.0 113.7 1.2 13.9 11.5 74 77 A Q E -DE 65 87A 31 -9,-2.2 -9,-1.3 -2,-0.5 13,-0.2 -0.751 21.7-139.4 -80.6 131.5 -2.0 11.9 12.0 75 78 A L - 0 0 3 11,-2.6 -13,-0.1 -2,-0.4 5,-0.0 -0.510 25.4 -88.5 -88.4 158.5 -3.3 12.6 15.5 76 79 A A > - 0 0 8 -2,-0.2 3,-1.9 1,-0.1 -13,-0.2 -0.365 34.4-116.0 -60.1 143.2 -4.9 10.0 17.8 77 80 A E T 3 S+ 0 0 111 -15,-2.8 3,-0.3 1,-0.3 -1,-0.1 0.836 116.9 51.6 -33.2 -48.5 -8.6 9.4 17.6 78 81 A Q T 3 S+ 0 0 150 -16,-0.4 3,-0.3 1,-0.2 -1,-0.3 0.247 85.4 88.3 -89.1 9.8 -8.9 10.7 21.2 79 82 A W X + 0 0 13 -3,-1.9 3,-1.8 1,-0.2 6,-0.2 -0.101 40.5 129.1-102.0 36.0 -7.0 13.9 20.6 80 83 A Q T 3 S+ 0 0 122 -3,-0.3 -1,-0.2 1,-0.3 5,-0.1 0.763 72.5 57.3 -60.2 -24.6 -10.0 16.1 19.5 81 84 A E T 3 S+ 0 0 148 -3,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.491 85.2 100.4 -83.9 -8.6 -9.0 18.8 22.1 82 85 A I S X S- 0 0 13 -3,-1.8 3,-2.4 1,-0.1 -7,-0.1 -0.737 85.1-111.5 -87.5 123.8 -5.5 19.1 20.6 83 86 A D T 3 S+ 0 0 158 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.1 -0.330 106.3 32.9 -49.5 121.7 -4.9 22.1 18.3 84 87 A G T > S- 0 0 31 1,-0.3 3,-1.0 -4,-0.1 -1,-0.3 0.193 91.7-174.6 110.8 -13.6 -4.5 20.7 14.8 85 88 A F T < + 0 0 80 -3,-2.4 -1,-0.3 1,-0.3 -11,-0.1 -0.274 59.6 19.8 -53.4 139.3 -6.8 17.7 15.1 86 89 A P T 3 S- 0 0 70 0, 0.0 -11,-2.6 0, 0.0 2,-0.3 -1.000 132.3 -0.7 -87.0 -11.0 -7.3 15.4 13.1 87 90 A R E < -E 74 0A 77 -3,-1.0 2,-0.6 -13,-0.2 -13,-0.2 -0.992 51.2-150.2-150.5 131.4 -4.0 16.0 11.1 88 91 A I E +E 73 0A 49 -15,-2.5 -15,-2.3 -2,-0.3 2,-0.3 -0.925 24.0 179.2-107.5 118.8 -1.1 18.4 11.3 89 92 A I E -E 72 0A 70 -2,-0.6 -17,-0.2 -17,-0.2 -18,-0.1 -0.834 37.0 -96.0-116.8 145.8 0.5 19.1 7.9 90 93 A S - 0 0 19 -19,-2.1 -19,-0.1 -2,-0.3 -1,-0.0 -0.390 32.7-121.8 -58.0 140.0 3.4 21.3 7.0 91 94 A G S S+ 0 0 76 1,-0.1 2,-0.8 2,-0.1 -1,-0.1 0.648 102.5 80.0 -61.7 -16.3 2.3 24.8 5.9 92 95 A I S S- 0 0 29 50,-0.1 88,-0.3 74,-0.1 -2,-0.2 -0.862 79.0-161.8 -88.5 105.1 4.2 24.0 2.7 93 96 A S > - 0 0 50 -2,-0.8 4,-2.0 -4,-0.1 49,-0.3 -0.245 33.1-103.0 -85.3 171.9 1.8 21.8 0.8 94 97 A H H > S+ 0 0 40 47,-2.2 4,-2.6 1,-0.2 48,-0.2 0.859 120.9 56.5 -59.4 -38.8 2.3 19.3 -2.1 95 98 A G H > S+ 0 0 38 46,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.894 108.3 45.5 -61.6 -43.1 0.8 22.0 -4.5 96 99 A E H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 112.8 50.1 -70.2 -41.3 3.3 24.6 -3.5 97 100 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.920 108.7 53.1 -61.2 -47.0 6.3 22.2 -3.7 98 101 A S H X S+ 0 0 22 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.879 108.0 51.6 -54.5 -41.9 5.0 21.1 -7.2 99 102 A L H X S+ 0 0 126 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.918 112.5 44.7 -59.3 -47.7 5.0 24.8 -8.2 100 103 A V H X S+ 0 0 30 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 113.1 51.3 -62.7 -44.4 8.6 25.3 -7.0 101 104 A L H X S+ 0 0 2 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.892 111.6 46.4 -64.8 -40.1 9.7 22.0 -8.6 102 105 A N H X S+ 0 0 59 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.813 108.2 55.8 -72.5 -31.8 8.2 23.0 -11.9 103 106 A T H X S+ 0 0 65 -4,-1.9 4,-2.6 2,-0.2 5,-0.4 0.946 110.4 46.0 -63.2 -46.1 9.7 26.5 -11.8 104 107 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 6,-0.8 0.883 114.5 47.6 -61.3 -41.6 13.2 24.9 -11.4 105 108 A R H X S+ 0 0 44 -4,-1.8 4,-0.7 4,-0.2 -1,-0.2 0.898 117.4 40.9 -68.5 -43.3 12.7 22.4 -14.1 106 109 A E H < S+ 0 0 134 -4,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.875 126.2 32.8 -73.4 -41.1 11.3 25.0 -16.6 107 110 A K H < S+ 0 0 154 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.807 134.4 24.4 -87.3 -32.9 13.7 27.8 -15.9 108 111 A E H < S- 0 0 62 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.458 95.7-131.7-115.9 -6.1 16.9 25.9 -15.0 109 112 A H < + 0 0 121 -4,-0.7 -4,-0.2 -5,-0.4 2,-0.2 0.792 35.1 177.0 60.1 36.8 16.2 22.6 -16.9 110 113 A F - 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