==== 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 TRANSFERASE 19-OCT-09 2WVK . COMPND 2 MOLECULE: MANNOSYL-3-PHOSPHOGLYCERATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.GONCALVES,N.BORGES,A.M.ESTEVES,B.VICTOR,C.M.SOARES,H.SANTO . 773 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 7.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 62 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 5 0 1 1 3 4 0 0 2 2 1 1 1 4 1 0 0 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 4 1 3 1 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 6 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 1 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 1 A M 0 0 1 0, 0.0 42,-3.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 126.6 16.8 -10.7 32.9 2 2 A R E -AB 25 42A 2 23,-2.1 22,-2.3 40,-0.2 23,-1.2 -0.882 360.0-172.5 -98.3 127.5 16.6 -10.6 36.7 3 3 A L E -AB 23 41A 0 38,-3.0 38,-3.4 -2,-0.5 20,-0.2 -0.963 24.4-123.8-119.4 144.9 14.4 -13.2 38.3 4 4 A E E - B 0 40A 57 18,-1.9 36,-0.2 -2,-0.4 35,-0.1 -0.423 35.5-117.6 -68.8 157.1 13.2 -13.6 41.8 5 5 A I - 0 0 53 34,-1.9 15,-0.1 -2,-0.1 -1,-0.0 -0.902 32.9-101.6-109.3 121.7 14.1 -17.1 43.1 6 6 A P - 0 0 19 0, 0.0 15,-0.1 0, 0.0 13,-0.1 -0.125 26.2-153.2 -54.9 116.1 11.1 -19.2 44.0 7 7 A N S S+ 0 0 135 13,-0.2 2,-0.3 11,-0.1 14,-0.1 0.863 80.0 30.9 -55.2 -38.9 11.0 -19.1 47.8 8 8 A H - 0 0 109 12,-0.1 11,-1.9 235,-0.0 2,-0.3 -0.887 66.1-166.2-119.7 151.6 9.3 -22.5 47.9 9 9 A T E -C 18 0B 30 -2,-0.3 2,-0.5 9,-0.2 9,-0.3 -0.960 20.2-129.8-142.5 127.2 9.5 -25.6 45.6 10 10 A E E -C 17 0B 39 7,-3.3 7,-2.8 -2,-0.3 2,-0.7 -0.575 17.4-155.3 -78.5 114.1 7.1 -28.6 45.5 11 11 A R E +C 16 0B 166 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.795 23.3 163.0 -90.6 116.9 8.9 -32.0 45.7 12 12 A F E > -C 15 0B 12 3,-1.7 3,-1.9 -2,-0.7 2,-0.2 -0.907 68.0 -54.3-137.7 105.1 6.9 -34.7 44.2 13 13 A G T 3 S- 0 0 40 -2,-0.4 270,-0.2 270,-0.4 271,-0.1 -0.435 117.4 -26.9 59.2-125.9 9.0 -37.7 43.4 14 14 A V T 3 S+ 0 0 34 268,-2.0 284,-2.7 -2,-0.2 -1,-0.3 0.356 117.9 108.6 -96.1 2.4 11.9 -36.6 41.2 15 15 A V E < -Cd 12 298B 0 -3,-1.9 -3,-1.7 267,-0.8 2,-0.4 -0.555 54.8-160.9 -75.1 145.0 9.7 -33.7 40.0 16 16 A R E -Cd 11 299B 87 282,-2.5 284,-3.3 -2,-0.2 2,-0.8 -0.909 7.4-173.3-127.5 95.8 10.7 -30.3 41.2 17 17 A L E -Cd 10 300B 2 -7,-2.8 -7,-3.3 -2,-0.4 2,-0.3 -0.848 14.3-155.7 -96.4 106.6 7.7 -28.0 40.8 18 18 A H E -C 9 0B 15 282,-2.3 284,-0.3 -2,-0.8 -9,-0.2 -0.646 16.8-108.0 -87.4 138.5 8.8 -24.4 41.6 19 19 A E E - 0 0 60 -11,-1.9 283,-0.5 -2,-0.3 -1,-0.1 -0.026 53.3 -72.3 -48.5 161.7 6.6 -21.6 42.8 20 20 A V E - d 0 302B 14 223,-0.2 2,-0.5 281,-0.1 -13,-0.2 -0.348 49.8-160.6 -59.7 131.3 5.8 -18.7 40.5 21 21 A Q E - d 0 303B 1 281,-2.3 283,-2.4 -3,-0.1 2,-0.2 -0.991 10.9-136.0-119.6 129.2 8.8 -16.4 40.2 22 22 A R E - d 0 304B 80 -2,-0.5 -18,-1.9 281,-0.2 2,-0.6 -0.522 15.3-122.6 -80.6 141.6 8.3 -12.9 39.0 23 23 A I E -A 3 0A 0 281,-2.5 -20,-0.2 -20,-0.2 3,-0.1 -0.777 28.2-174.2 -77.6 123.1 10.5 -11.3 36.3 24 24 A L E + 0 0 13 -22,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.829 68.4 13.2 -86.6 -34.5 11.9 -8.2 38.1 25 25 A E E -A 2 0A 0 -23,-1.2 -23,-2.1 1,-0.1 -1,-0.3 -0.987 63.4-145.8-152.4 129.3 13.7 -6.7 35.2 26 26 A L S S+ 0 0 0 440,-2.3 2,-0.4 -2,-0.3 441,-0.1 0.899 90.7 20.6 -69.1 -45.7 13.5 -7.5 31.6 27 27 A D - 0 0 1 439,-0.4 443,-1.8 441,-0.3 -1,-0.3 -0.869 61.4-179.7-135.9 97.3 17.1 -6.9 30.5 28 28 A S - 0 0 0 -2,-0.4 -1,-0.1 -3,-0.3 -2,-0.0 0.021 39.3-132.5 -94.3 22.6 19.7 -7.0 33.3 29 29 A G - 0 0 1 1,-0.1 16,-1.6 15,-0.1 2,-0.7 -0.061 42.1 -30.9 73.2-160.2 22.6 -6.3 31.0 30 30 A R - 0 0 41 14,-0.2 -1,-0.1 15,-0.1 14,-0.1 -0.891 64.0-132.4-108.3 107.5 26.1 -7.8 30.6 31 31 A V + 0 0 29 -2,-0.7 3,-0.2 1,-0.2 -2,-0.1 -0.287 48.0 138.4 -69.3 140.4 27.4 -9.1 33.9 32 32 A R S S+ 0 0 145 1,-0.5 2,-1.0 -2,-0.0 -1,-0.2 0.293 70.5 47.2-138.1 -76.3 30.9 -8.3 35.0 33 33 A D S S- 0 0 142 2,-0.0 -1,-0.5 0, 0.0 2,-0.5 -0.673 81.5-155.7 -65.3 103.0 30.9 -7.5 38.7 34 34 A E - 0 0 160 -2,-1.0 -3,-0.0 -3,-0.2 0, 0.0 -0.765 9.6-170.1 -73.4 132.0 28.8 -10.5 39.9 35 35 A S - 0 0 73 -2,-0.5 2,-0.9 2,-0.0 -2,-0.0 -0.996 23.2-129.2-116.6 133.5 27.2 -9.5 43.2 36 36 A P - 0 0 122 0, 0.0 2,-0.5 0, 0.0 5,-0.1 -0.655 26.8-176.7 -88.1 107.4 25.7 -12.6 44.8 37 37 A A - 0 0 34 -2,-0.9 5,-0.1 3,-0.2 -2,-0.0 -0.907 13.9-158.3 -99.5 133.2 22.2 -11.9 45.8 38 38 A V S S+ 0 0 133 -2,-0.5 -1,-0.2 1,-0.1 0, 0.0 0.887 87.1 48.2 -72.6 -38.2 20.7 -14.9 47.5 39 39 A G S S+ 0 0 47 -35,-0.1 -34,-1.9 2,-0.0 2,-0.2 0.819 115.1 31.3 -80.4 -37.2 17.0 -14.0 46.8 40 40 A L E -B 4 0A 17 -36,-0.2 2,-0.4 458,-0.1 -36,-0.3 -0.683 67.5-134.4-117.4 176.2 17.2 -13.2 43.1 41 41 A R E -B 3 0A 133 -38,-3.4 -38,-3.0 -2,-0.2 2,-0.6 -0.993 7.3-151.1-133.7 124.5 19.1 -14.3 40.0 42 42 A R E -B 2 0A 63 -2,-0.4 2,-0.6 -40,-0.2 -40,-0.2 -0.844 14.3-150.2 -95.1 116.6 20.6 -12.1 37.2 43 43 A L - 0 0 11 -42,-3.2 -15,-0.3 -2,-0.6 2,-0.2 -0.770 17.1-127.6 -89.4 123.0 20.8 -13.9 33.9 44 44 A D > - 0 0 21 -2,-0.6 4,-2.2 1,-0.1 3,-0.3 -0.504 15.2-128.5 -68.5 133.6 23.7 -12.7 31.7 45 45 A D H > S+ 0 0 5 -16,-1.6 4,-2.3 1,-0.2 5,-0.2 0.916 106.9 50.4 -47.9 -53.3 22.5 -11.6 28.3 46 46 A A H > S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.847 108.5 51.8 -59.6 -39.7 25.1 -13.7 26.4 47 47 A D H > S+ 0 0 79 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.949 109.3 51.8 -56.5 -48.7 24.1 -16.9 28.4 48 48 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.876 110.3 47.7 -54.4 -44.2 20.5 -16.2 27.5 49 49 A R H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.798 106.9 57.2 -71.4 -30.0 21.4 -16.0 23.8 50 50 A D H < S+ 0 0 67 -4,-1.8 -1,-0.2 -5,-0.2 4,-0.2 0.847 109.1 45.5 -67.5 -33.6 23.4 -19.1 24.0 51 51 A V H >< S+ 0 0 11 -4,-1.7 3,-2.0 1,-0.2 -2,-0.2 0.914 110.4 54.3 -72.5 -39.8 20.4 -21.0 25.2 52 52 A L H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.3 29,-0.2 0.833 96.7 64.6 -68.3 -29.3 18.3 -19.4 22.6 53 53 A E T 3< S+ 0 0 75 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.635 106.8 45.6 -61.3 -14.0 20.7 -20.6 19.9 54 54 A Q T < S+ 0 0 84 -3,-2.0 108,-2.5 -4,-0.2 107,-1.9 0.164 100.4 96.1-111.1 14.4 19.6 -24.1 21.0 55 55 A T E < -e 162 0B 1 -3,-2.0 26,-2.4 24,-0.2 2,-0.4 -0.879 55.8-156.8-116.6 135.2 15.9 -23.2 21.1 56 56 A A E -e 163 0B 0 106,-3.1 108,-1.9 -2,-0.4 2,-0.7 -0.924 12.6-152.6 -97.4 134.2 13.1 -23.6 18.5 57 57 A I E -e 164 0B 0 -2,-0.4 26,-2.0 106,-0.2 2,-0.3 -0.878 7.6-153.0-111.4 106.4 10.2 -21.3 18.9 58 58 A V E -ef 165 83B 2 106,-2.2 108,-2.3 -2,-0.7 26,-0.2 -0.585 10.8-174.0 -76.8 129.1 6.9 -22.8 17.5 59 59 A V E - f 0 84B 0 24,-3.4 26,-0.7 -2,-0.3 108,-0.1 -0.865 12.6-160.0-124.2 92.3 4.3 -20.2 16.3 60 60 A P E - f 0 85B 62 0, 0.0 108,-0.6 0, 0.0 2,-0.3 -0.437 10.9-176.9 -75.2 154.1 1.0 -22.1 15.4 61 61 A T E + f 0 86B 9 24,-2.2 26,-2.0 -2,-0.1 2,-0.3 -0.991 24.0 180.0-151.1 137.0 -1.6 -20.4 13.2 62 62 A R S S- 0 0 162 -2,-0.3 26,-0.1 24,-0.2 24,-0.1 -0.763 88.7 -40.5-137.6 88.3 -5.0 -21.3 11.9 63 63 A N S S+ 0 0 70 -2,-0.3 3,-0.1 1,-0.2 2,-0.1 0.807 88.0 170.0 61.9 36.5 -6.0 -18.4 9.7 64 64 A E - 0 0 50 1,-0.1 -1,-0.2 2,-0.1 105,-0.0 -0.365 48.1 -84.4 -69.3 152.5 -4.6 -15.7 12.1 65 65 A R > - 0 0 139 1,-0.1 4,-1.9 -2,-0.1 -1,-0.1 -0.346 36.2-141.6 -52.8 137.4 -4.4 -12.1 11.0 66 66 A L H > S+ 0 0 37 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.962 98.6 58.6 -72.3 -50.1 -1.1 -11.8 9.0 67 67 A K H > S+ 0 0 134 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.864 112.2 43.6 -38.3 -46.7 -0.3 -8.3 10.4 68 68 A L H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 112.8 49.9 -69.2 -48.6 -0.3 -9.9 13.8 69 69 A L H X S+ 0 0 4 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.890 111.8 47.7 -62.1 -40.8 1.6 -13.0 12.9 70 70 A E H X S+ 0 0 34 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.860 110.3 53.5 -65.9 -36.1 4.3 -11.0 11.3 71 71 A G H X S+ 0 0 10 -4,-1.4 4,-0.7 -5,-0.4 -2,-0.2 0.852 104.2 56.2 -69.2 -33.4 4.4 -8.7 14.3 72 72 A V H < S+ 0 0 0 -4,-2.1 3,-0.5 96,-0.2 4,-0.3 0.882 106.8 50.5 -65.1 -34.8 4.9 -11.8 16.5 73 73 A L H >< S+ 0 0 1 -4,-1.4 3,-3.0 1,-0.2 -2,-0.2 0.967 100.0 60.5 -68.3 -53.1 7.9 -12.7 14.5 74 74 A S H 3< S+ 0 0 0 -4,-2.0 344,-4.3 1,-0.3 345,-0.4 0.744 105.8 52.5 -44.4 -25.8 9.7 -9.4 14.7 75 75 A G T 3< S+ 0 0 0 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.518 80.5 106.8 -95.0 -7.0 9.7 -9.8 18.4 76 76 A I S < S- 0 0 0 -3,-3.0 343,-0.3 -4,-0.3 101,-0.1 -0.598 83.3-102.5 -77.8 127.5 11.2 -13.3 18.7 77 77 A P > - 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0 0 89 -237,-1.9 4,-1.6 -2,-0.3 3,-0.4 -0.790 17.1-173.7-101.5 94.9 26.8 27.4 34.6 758 374 B L H > S+ 0 0 58 -2,-0.9 4,-3.1 1,-0.2 5,-0.2 0.839 83.7 56.1 -50.7 -42.3 26.8 23.8 35.7 759 375 B Q H > S+ 0 0 101 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.917 104.6 52.3 -67.9 -35.1 29.7 24.2 38.1 760 376 B A H > S+ 0 0 21 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.927 112.8 48.8 -54.5 -41.0 27.8 26.9 39.9 761 377 B V H X S+ 0 0 1 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.899 109.2 48.0 -69.9 -45.1 25.0 24.3 40.1 762 378 B R H < S+ 0 0 149 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.961 110.8 54.8 -61.6 -47.2 27.2 21.5 41.4 763 379 B K H >< S+ 0 0 145 -4,-2.9 3,-1.1 -5,-0.2 4,-0.3 0.928 114.0 40.2 -37.7 -58.8 28.5 24.0 43.9 764 380 B A H 3< S+ 0 0 32 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.808 116.3 46.9 -73.8 -35.5 24.9 24.8 45.1 765 381 B L T >X S+ 0 0 3 -4,-2.9 4,-1.5 1,-0.2 3,-1.5 0.327 85.3 111.5 -83.9 9.1 23.6 21.2 45.0 766 382 B R G X4 S+ 0 0 189 -3,-1.1 3,-1.0 -4,-0.4 4,-0.2 0.925 77.0 36.7 -54.8 -65.7 26.7 20.1 46.8 767 383 B G G 34 S+ 0 0 69 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.446 122.5 49.3 -65.9 1.7 25.4 19.1 50.3 768 384 B H G X> + 0 0 64 -3,-1.5 3,-3.0 1,-0.1 4,-0.9 0.573 67.7 104.4-119.1 -16.5 22.2 17.7 48.6 769 385 B F H XX S+ 0 0 47 -4,-1.5 4,-2.0 -3,-1.0 3,-0.5 0.778 80.5 63.1 -48.5 -21.6 23.3 15.4 45.7 770 386 B S H 34 S+ 0 0 97 2,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.631 92.9 55.8 -87.0 -10.4 22.4 12.5 48.0 771 387 B R H <4 S+ 0 0 99 -3,-3.0 -1,-0.2 1,-0.1 -2,-0.2 0.588 116.6 42.3 -82.3 -10.2 18.6 13.2 48.4 772 388 B F H << S+ 0 0 3 -4,-0.9 -267,-1.5 -3,-0.5 2,-0.3 0.746 102.3 77.7 -96.3 -37.2 18.6 13.0 44.6 773 389 B R E < S-V 504 0F 95 -4,-2.0 -269,-0.2 -5,-0.3 0, 0.0 -0.614 76.0-145.8 -76.1 130.9 21.0 10.0 44.4 774 390 B V E V 503 0F 5 -271,-2.3 -271,-0.9 -2,-0.3 -3,-0.1 -0.900 360.0 360.0-101.1 106.0 19.1 6.8 45.1 775 391 B P 0 0 103 0, 0.0 -278,-0.1 0, 0.0 -2,-0.0 -0.612 360.0 360.0 -60.7 360.0 21.1 4.1 46.9