==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAY-13 4KMI . COMPND 2 MOLECULE: 4-O-BETA-D-MANNOSYL-D-GLUCOSE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR S.NAKAE,S.ITO,M.HIGA,T.SENOURA,J.WASAKI,A.HIJIKATA,M.SHIONYU . 762 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 245 32.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 61 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 11.8 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+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 2 0 0 0 0 0 2 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 14 8 4 3 3 2 2 4 2 2 2 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 6 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 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 2 A S > 0 0 85 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 158.2 -17.5 31.5 239.3 2 3 A L H > + 0 0 145 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.882 360.0 50.3 -61.7 -40.3 -17.6 28.0 237.7 3 4 A F H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.941 111.0 46.6 -63.7 -50.4 -16.2 29.4 234.4 4 5 A N H > S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.834 111.6 52.2 -64.6 -32.9 -13.3 31.2 236.0 5 6 A D H X S+ 0 0 80 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.892 108.8 51.0 -66.8 -40.2 -12.5 28.1 238.1 6 7 A K H X S+ 0 0 106 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.917 111.0 47.5 -62.6 -44.7 -12.5 26.0 235.0 7 8 A V H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.936 110.4 52.8 -60.5 -46.5 -10.1 28.4 233.2 8 9 A A H X S+ 0 0 37 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.903 109.2 49.8 -55.3 -42.0 -7.9 28.4 236.3 9 10 A K H X S+ 0 0 95 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.868 108.0 51.8 -68.2 -40.1 -7.7 24.6 236.3 10 11 A L H X S+ 0 0 45 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.930 113.3 45.9 -56.5 -47.5 -6.8 24.4 232.6 11 12 A L H X S+ 0 0 74 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.920 114.8 46.3 -64.4 -42.5 -4.0 26.8 233.2 12 13 A A H X S+ 0 0 12 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.876 112.6 48.6 -70.5 -39.9 -2.8 25.0 236.3 13 14 A G H X S+ 0 0 39 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.883 112.0 51.6 -65.3 -38.5 -2.9 21.6 234.8 14 15 A H H X S+ 0 0 21 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.924 109.1 48.2 -64.7 -46.3 -1.0 23.0 231.8 15 16 A E H X S+ 0 0 63 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.878 109.9 53.8 -61.7 -37.5 1.8 24.5 233.9 16 17 A A H X S+ 0 0 33 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.924 110.5 46.2 -63.7 -43.8 2.1 21.2 235.8 17 18 A L H >< S+ 0 0 41 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.946 112.8 50.1 -60.5 -48.3 2.5 19.3 232.5 18 19 A L H 3< S+ 0 0 4 -4,-2.6 90,-0.5 1,-0.2 -2,-0.2 0.832 112.7 45.8 -62.0 -33.8 5.1 21.8 231.2 19 20 A M H 3< S+ 0 0 20 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.486 79.3 131.1 -92.5 -1.4 7.2 21.8 234.4 20 21 A R << - 0 0 107 -3,-1.1 88,-0.5 -4,-0.6 2,-0.3 -0.248 60.0-122.2 -57.8 129.6 7.3 18.0 234.8 21 22 A K - 0 0 126 86,-0.1 2,-0.1 87,-0.1 -1,-0.1 -0.568 23.1-136.4 -78.1 130.0 10.9 16.7 235.4 22 23 A N - 0 0 4 -2,-0.3 85,-0.1 14,-0.1 84,-0.1 -0.464 15.3-153.5 -82.0 157.3 12.0 14.2 232.9 23 24 A E - 0 0 92 -2,-0.1 13,-3.1 83,-0.1 14,-0.2 -0.998 17.2-115.2-133.4 139.4 13.9 11.1 234.0 24 25 A P B -A 35 0A 65 0, 0.0 2,-0.5 0, 0.0 11,-0.3 -0.371 28.4-116.4 -68.6 150.4 16.4 9.0 232.0 25 26 A V - 0 0 43 9,-3.0 9,-0.3 1,-0.2 0, 0.0 -0.801 20.3-151.4 -84.6 123.7 15.6 5.4 231.2 26 27 A E S S+ 0 0 198 -2,-0.5 2,-0.6 7,-0.1 -1,-0.2 0.900 77.6 78.1 -64.2 -43.4 18.2 3.2 233.0 27 28 A E + 0 0 144 -3,-0.1 7,-0.3 2,-0.1 2,-0.3 -0.571 66.5 131.3 -73.9 115.0 18.0 0.4 230.4 28 29 A G - 0 0 56 -2,-0.6 5,-0.1 5,-0.1 -2,-0.0 -0.902 64.4-110.3-153.7-178.9 20.0 1.5 227.4 29 30 A N - 0 0 103 3,-0.7 4,-0.1 -2,-0.3 -2,-0.1 0.344 56.2-107.4-105.7 3.9 22.7 0.3 225.0 30 31 A G S S+ 0 0 59 2,-0.4 3,-0.1 1,-0.0 -3,-0.0 0.374 108.4 76.7 86.6 -4.6 25.5 2.6 226.2 31 32 A V S S+ 0 0 27 1,-0.4 314,-0.3 268,-0.1 2,-0.3 0.849 103.4 11.1-100.4 -54.1 25.2 4.8 223.0 32 33 A I - 0 0 7 312,-0.1 -3,-0.7 267,-0.1 2,-0.5 -0.943 62.6-142.0-126.4 152.3 22.1 6.8 223.8 33 34 A T E -B 343 0B 54 310,-2.2 310,-2.1 -2,-0.3 2,-0.1 -0.960 17.6-154.1-111.7 122.0 19.9 7.4 226.8 34 35 A R E -B 342 0B 42 -2,-0.5 -9,-3.0 -9,-0.3 2,-0.3 -0.419 13.1-130.4 -83.6 169.2 16.2 7.7 226.3 35 36 A Y B -A 24 0A 24 306,-0.5 306,-0.1 -11,-0.3 4,-0.0 -0.894 13.9-121.3-126.5 153.7 13.9 9.6 228.6 36 37 A R S S+ 0 0 162 -13,-3.1 -1,-0.1 -2,-0.3 -14,-0.1 0.846 92.9 39.5 -62.4 -37.2 10.6 8.6 230.4 37 38 A Y S S- 0 0 52 -14,-0.2 304,-0.4 -17,-0.0 -2,-0.1 -0.857 85.8-106.8-119.5 149.5 8.5 11.4 228.8 38 39 A P - 0 0 20 0, 0.0 302,-0.3 0, 0.0 3,-0.1 -0.312 23.9-134.9 -58.4 151.4 8.2 13.1 225.5 39 40 A V S S+ 0 0 5 300,-1.8 70,-0.3 1,-0.3 2,-0.3 0.783 88.2 14.0 -79.3 -27.4 9.7 16.7 225.4 40 41 A L B +C 339 0B 0 299,-1.6 299,-2.5 30,-0.1 -1,-0.3 -0.995 62.6 167.5-147.6 142.5 6.6 17.9 223.5 41 42 A T > - 0 0 34 -2,-0.3 3,-2.0 297,-0.2 4,-0.4 -0.863 55.3 -93.1-137.2 173.0 3.1 16.6 222.7 42 43 A A G > S+ 0 0 21 295,-0.3 3,-1.4 26,-0.3 27,-0.1 0.824 125.1 63.3 -57.2 -30.6 0.0 18.4 221.3 43 44 A A G 3 S+ 0 0 53 1,-0.3 -1,-0.3 25,-0.1 -26,-0.1 0.620 90.3 67.6 -72.3 -13.1 -1.0 18.9 224.9 44 45 A H G < S+ 0 0 15 -3,-2.0 67,-0.4 -27,-0.1 -1,-0.3 0.637 73.5 105.1 -79.4 -16.3 2.1 21.1 225.4 45 46 A T S < S- 0 0 0 -3,-1.4 5,-0.1 -4,-0.4 22,-0.1 -0.379 90.6 -86.8 -61.7 147.9 0.8 23.8 223.1 46 47 A P >> - 0 0 8 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.171 26.7-124.7 -59.8 150.2 -0.4 26.8 225.2 47 48 A V H >> S+ 0 0 4 1,-0.3 4,-2.8 2,-0.2 3,-0.7 0.855 112.0 59.8 -59.8 -34.3 -4.0 26.8 226.5 48 49 A F H 34 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.417 97.3 59.6 -81.2 1.8 -4.5 30.1 224.9 49 50 A W H <4 S+ 0 0 29 -3,-1.6 -1,-0.2 3,-0.1 -2,-0.2 0.731 118.2 28.5 -85.8 -31.7 -3.7 28.6 221.4 50 51 A R H << S+ 0 0 24 -4,-0.8 14,-3.0 -3,-0.7 15,-1.9 0.859 114.9 54.2-101.8 -47.1 -6.6 26.2 221.8 51 52 A Y B < -F 63 0C 49 -4,-2.8 2,-0.7 12,-0.3 12,-0.2 -0.748 69.4-133.9 -91.8 142.4 -9.3 27.7 224.0 52 53 A D - 0 0 50 10,-0.7 10,-0.1 -2,-0.3 9,-0.1 -0.859 23.0-160.4 -80.7 115.6 -11.1 31.1 223.6 53 54 A L + 0 0 61 -2,-0.7 2,-0.6 -5,-0.1 -1,-0.1 0.419 57.3 103.8 -88.2 4.7 -10.8 32.1 227.2 54 55 A N >> - 0 0 71 1,-0.1 4,-1.8 2,-0.0 3,-0.7 -0.789 58.9-156.0 -93.0 116.8 -13.6 34.7 227.0 55 56 A E T 34 S+ 0 0 97 -2,-0.6 -1,-0.1 1,-0.2 6,-0.1 0.797 92.2 62.2 -59.0 -31.8 -16.8 33.6 228.6 56 57 A E T 34 S+ 0 0 166 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.898 118.0 26.0 -59.5 -42.4 -18.8 36.0 226.4 57 58 A T T <4 S+ 0 0 78 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.499 135.4 31.0-104.6 -9.0 -17.7 34.2 223.2 58 59 A N >< + 0 0 1 -4,-1.8 3,-1.8 1,-0.1 -1,-0.2 -0.394 63.8 159.5-146.2 61.1 -17.0 30.7 224.5 59 60 A P T 3 S+ 0 0 73 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.768 79.3 51.8 -61.4 -27.6 -19.4 30.1 227.4 60 61 A F T 3 S- 0 0 160 -3,-0.1 -5,-0.1 2,-0.0 -2,-0.0 0.564 104.9-134.7 -81.7 -9.7 -19.1 26.3 227.2 61 62 A L < + 0 0 12 -3,-1.8 2,-0.3 1,-0.2 -8,-0.1 0.980 47.0 156.2 51.5 64.6 -15.3 26.8 227.3 62 63 A M - 0 0 86 -10,-0.1 -10,-0.7 -12,-0.0 2,-0.2 -0.780 51.0 -88.9-113.2 162.1 -14.5 24.4 224.4 63 64 A E B -F 51 0C 76 -2,-0.3 -12,-0.3 -12,-0.2 3,-0.2 -0.528 32.1-171.8 -71.8 135.5 -11.4 24.3 222.2 64 65 A R S S+ 0 0 132 -14,-3.0 2,-0.4 1,-0.3 -13,-0.2 0.692 79.6 33.8 -94.6 -27.6 -11.8 26.6 219.2 65 66 A I S S- 0 0 93 -15,-1.9 -1,-0.3 26,-0.0 2,-0.1 -0.876 80.8-148.2-133.3 102.5 -8.6 25.4 217.5 66 67 A G - 0 0 25 -2,-0.4 25,-2.7 -3,-0.2 2,-0.5 -0.426 3.5-149.1 -71.5 140.7 -7.5 21.8 218.0 67 68 A M E +G 90 0D 29 23,-0.3 23,-0.2 -2,-0.1 3,-0.1 -0.944 16.2 178.1-109.3 128.4 -3.9 20.8 218.1 68 69 A N E - 0 0 59 21,-2.4 2,-0.3 -2,-0.5 -26,-0.3 0.830 54.7 -5.6 -99.8 -40.4 -3.1 17.3 216.7 69 70 A A E -G 89 0D 0 20,-1.9 20,-2.7 -27,-0.1 2,-0.4 -0.997 38.8-149.7-159.1 155.5 0.7 16.7 216.9 70 71 A T E +G 88 0D 0 267,-1.7 18,-0.2 -2,-0.3 2,-0.2 -0.973 48.1 135.8-130.3 111.5 4.1 18.2 217.6 71 72 A L E +G 87 0D 1 16,-3.2 16,-2.1 -2,-0.4 268,-0.1 -0.677 35.4 33.7-144.2-169.9 6.7 16.5 215.4 72 73 A N E S- 0 0 4 -2,-0.2 59,-0.4 266,-0.2 2,-0.3 0.619 72.4-175.1 11.6 74.5 9.8 16.6 213.1 73 74 A A E - 0 0 1 243,-0.2 245,-0.8 57,-0.1 13,-0.2 -0.686 24.7-139.0-100.9 141.7 11.4 19.6 214.8 74 75 A G E -G 85 0D 0 11,-2.6 11,-2.4 -2,-0.3 2,-0.3 -0.337 26.1-155.1 -76.1 173.8 14.6 21.6 214.0 75 76 A A E +G 84 0D 8 243,-0.4 245,-0.3 9,-0.3 2,-0.3 -0.996 18.2 171.5-154.9 153.1 16.8 22.6 216.9 76 77 A I E -G 83 0D 18 7,-2.3 7,-2.4 -2,-0.3 2,-0.6 -0.976 35.8-120.1-158.7 141.6 19.4 25.2 217.8 77 78 A K E -G 82 0D 81 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.822 44.5-178.8 -83.3 126.0 21.3 26.3 220.8 78 79 A W E > -G 81 0D 49 3,-2.6 3,-2.0 -2,-0.6 -2,-0.1 -0.948 54.5 -28.5-142.1 111.6 20.2 29.9 221.2 79 80 A D T 3 S- 0 0 125 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.880 124.8 -48.1 50.6 43.9 21.3 32.5 223.7 80 81 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.430 120.6 104.7 81.8 -0.6 22.0 29.9 226.3 81 82 A K E < S-G 78 0D 82 -3,-2.0 -3,-2.6 23,-0.0 2,-0.6 -0.708 72.0-120.9-112.7 163.1 18.7 28.1 225.8 82 83 A Y E -GH 77 102D 24 20,-2.8 20,-2.3 -2,-0.2 2,-0.4 -0.924 36.8-168.3-105.7 118.5 17.8 24.9 224.0 83 84 A L E -GH 76 101D 2 -7,-2.4 -7,-2.3 -2,-0.6 2,-0.4 -0.907 16.8-162.0-116.9 134.8 15.3 25.5 221.2 84 85 A M E -GH 75 100D 1 16,-2.6 16,-2.4 -2,-0.4 2,-0.9 -0.909 14.9-147.0-101.3 141.3 13.2 23.3 219.0 85 86 A L E -GH 74 99D 2 -11,-2.4 -11,-2.6 -2,-0.4 46,-0.3 -0.874 37.0-153.7-100.7 93.8 11.8 24.6 215.8 86 87 A V E - 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