==== 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 3WAS . 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 . 778 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 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 . 246 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 . 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 . 66 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 11.4 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 3 1 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 . 12 10 4 4 2 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 . 2 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,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 162.4 -17.4 31.5 239.1 2 3 A L H > + 0 0 149 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.884 360.0 51.6 -63.5 -38.5 -17.5 28.0 237.6 3 4 A F H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 110.2 46.8 -64.7 -48.8 -16.1 29.3 234.3 4 5 A N H > S+ 0 0 95 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 110.9 53.2 -62.5 -35.9 -13.2 31.1 235.9 5 6 A D H X S+ 0 0 79 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.908 108.0 51.2 -63.5 -40.8 -12.4 28.0 238.0 6 7 A K H X S+ 0 0 104 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.912 110.8 47.7 -63.5 -42.2 -12.3 25.9 234.8 7 8 A V H X S+ 0 0 21 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.940 110.8 51.8 -64.0 -45.1 -10.0 28.4 233.1 8 9 A A H X S+ 0 0 39 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.883 110.6 48.7 -59.0 -38.1 -7.7 28.4 236.2 9 10 A K H X S+ 0 0 96 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.872 108.6 52.8 -71.5 -37.4 -7.6 24.6 236.2 10 11 A L H X S+ 0 0 47 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.930 113.4 44.4 -59.4 -45.3 -6.8 24.5 232.5 11 12 A L H X S+ 0 0 74 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.908 114.6 48.2 -68.5 -39.8 -3.9 26.8 233.0 12 13 A A H X S+ 0 0 13 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.897 111.1 49.7 -69.6 -40.9 -2.7 25.1 236.2 13 14 A G H X S+ 0 0 39 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.885 110.1 52.7 -63.1 -38.6 -2.8 21.6 234.5 14 15 A H H X S+ 0 0 20 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.923 108.5 48.5 -64.4 -44.5 -0.9 23.0 231.6 15 16 A E H X S+ 0 0 62 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.887 109.6 53.2 -64.0 -37.3 1.9 24.4 233.8 16 17 A A H X S+ 0 0 35 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.913 111.5 46.0 -63.7 -41.1 2.2 21.1 235.7 17 18 A L H >< S+ 0 0 43 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.950 113.7 48.7 -63.4 -49.2 2.6 19.3 232.4 18 19 A L H 3< S+ 0 0 5 -4,-2.8 90,-0.5 1,-0.2 -2,-0.2 0.810 112.7 47.4 -62.5 -30.9 5.2 21.8 231.1 19 20 A M H 3< S+ 0 0 22 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.502 78.3 130.6 -93.8 -2.7 7.3 21.7 234.2 20 21 A R << - 0 0 109 -3,-1.1 88,-0.5 -4,-0.6 2,-0.3 -0.247 60.1-122.2 -58.4 129.5 7.5 17.9 234.7 21 22 A K - 0 0 114 86,-0.1 2,-0.1 87,-0.1 -1,-0.1 -0.552 23.2-136.2 -75.0 129.9 11.0 16.8 235.2 22 23 A N - 0 0 3 -2,-0.3 85,-0.1 14,-0.1 84,-0.1 -0.474 16.3-156.2 -81.4 158.6 12.2 14.2 232.7 23 24 A E - 0 0 86 -2,-0.1 13,-3.1 83,-0.1 14,-0.2 -0.999 18.0-113.9-136.5 139.6 14.1 11.2 233.8 24 25 A P B -A 35 0A 66 0, 0.0 2,-0.6 0, 0.0 11,-0.3 -0.349 29.2-115.8 -68.1 151.3 16.5 9.0 231.8 25 26 A V - 0 0 46 9,-3.0 9,-0.3 1,-0.2 0, 0.0 -0.823 21.5-151.6 -85.6 123.3 15.7 5.4 231.0 26 27 A E S S+ 0 0 188 -2,-0.6 2,-0.5 7,-0.1 -1,-0.2 0.918 77.1 74.1 -61.8 -49.2 18.2 3.3 232.8 27 28 A E + 0 0 149 -3,-0.1 2,-0.3 2,-0.1 7,-0.2 -0.562 69.1 128.0 -74.8 116.9 18.1 0.4 230.4 28 29 A G - 0 0 60 -2,-0.5 5,-0.1 5,-0.1 -2,-0.0 -0.883 66.7-101.3-154.1-172.3 19.9 1.3 227.3 29 30 A N - 0 0 99 3,-0.7 4,-0.1 -2,-0.3 -2,-0.1 0.365 55.4-111.2-103.3 3.1 22.6 0.3 224.8 30 31 A G S S+ 0 0 60 2,-0.4 3,-0.1 1,-0.1 -3,-0.0 0.360 106.1 76.7 84.5 -7.7 25.4 2.6 226.0 31 32 A V S S+ 0 0 26 1,-0.4 2,-0.3 275,-0.1 321,-0.3 0.860 103.5 13.6 -95.0 -57.8 25.3 4.7 222.9 32 33 A I - 0 0 5 274,-0.1 -3,-0.7 319,-0.1 2,-0.6 -0.917 64.3-141.3-121.5 150.6 22.2 6.8 223.6 33 34 A T E -B 350 0B 54 317,-2.5 317,-2.3 -2,-0.3 2,-0.1 -0.948 18.1-154.9-109.1 119.9 20.1 7.4 226.6 34 35 A R E -B 349 0B 48 -2,-0.6 -9,-3.0 -9,-0.3 2,-0.3 -0.427 12.8-130.7 -81.6 167.1 16.3 7.7 226.1 35 36 A Y B -A 24 0A 24 313,-0.5 313,-0.1 -11,-0.3 4,-0.0 -0.910 13.3-122.4-125.7 151.1 14.0 9.6 228.4 36 37 A R S S+ 0 0 159 -13,-3.1 -1,-0.1 -2,-0.3 -14,-0.1 0.838 92.3 38.8 -61.5 -37.2 10.8 8.6 230.2 37 38 A Y S S- 0 0 54 -14,-0.2 311,-0.3 -17,-0.0 -2,-0.1 -0.862 85.8-107.1-119.3 149.3 8.6 11.4 228.7 38 39 A P - 0 0 25 0, 0.0 309,-0.3 0, 0.0 3,-0.1 -0.315 22.2-135.1 -60.6 151.9 8.4 13.1 225.3 39 40 A V S S+ 0 0 4 307,-1.7 2,-0.3 1,-0.3 70,-0.3 0.768 88.0 14.9 -79.5 -27.2 9.8 16.7 225.2 40 41 A L B +C 346 0B 0 306,-1.7 306,-2.8 30,-0.1 -1,-0.3 -0.989 61.6 166.0-148.9 142.7 6.7 17.8 223.3 41 42 A T > - 0 0 35 -2,-0.3 3,-1.9 304,-0.2 4,-0.4 -0.867 55.9 -93.5-135.8 171.4 3.2 16.6 222.5 42 43 A A G > S+ 0 0 23 302,-0.3 3,-1.4 26,-0.3 27,-0.1 0.833 125.2 63.2 -56.4 -32.6 0.1 18.3 221.1 43 44 A A G 3 S+ 0 0 52 1,-0.3 -1,-0.3 25,-0.1 -26,-0.1 0.692 90.8 66.6 -66.4 -20.3 -0.9 18.8 224.7 44 45 A H G < S+ 0 0 16 -3,-1.9 67,-0.4 -27,-0.1 -1,-0.3 0.639 75.2 106.6 -75.1 -15.5 2.2 21.0 225.3 45 46 A T S < S- 0 0 0 -3,-1.4 5,-0.1 -4,-0.4 22,-0.1 -0.348 89.5 -84.4 -60.4 147.5 0.8 23.7 222.9 46 47 A P >> - 0 0 7 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.175 26.4-128.7 -56.7 146.1 -0.4 26.7 224.9 47 48 A V H >> S+ 0 0 5 1,-0.3 4,-2.7 2,-0.2 3,-0.9 0.869 110.7 58.9 -57.9 -36.0 -3.9 26.7 226.3 48 49 A F H 34 S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.433 97.6 59.1 -81.7 1.5 -4.4 30.1 224.6 49 50 A W H <4 S+ 0 0 29 -3,-1.7 -1,-0.3 3,-0.1 -2,-0.2 0.683 117.9 30.1 -87.1 -26.5 -3.7 28.6 221.2 50 51 A R H << S+ 0 0 25 -3,-0.9 14,-3.1 -4,-0.8 15,-1.9 0.823 114.9 53.0-105.2 -41.8 -6.5 26.1 221.5 51 52 A Y B < -F 63 0C 46 -4,-2.7 2,-0.7 12,-0.3 12,-0.2 -0.806 68.8-134.1-101.4 141.4 -9.2 27.7 223.7 52 53 A D - 0 0 46 10,-0.7 10,-0.1 -2,-0.4 9,-0.1 -0.847 22.7-161.1 -81.4 116.8 -11.0 31.1 223.4 53 54 A L + 0 0 59 -2,-0.7 2,-0.6 -5,-0.1 -1,-0.1 0.446 56.6 104.5 -87.8 2.3 -10.7 32.1 227.1 54 55 A N >> - 0 0 70 1,-0.1 4,-1.9 2,-0.0 3,-0.6 -0.745 59.3-154.8 -88.5 118.9 -13.5 34.7 226.9 55 56 A E T 34 S+ 0 0 94 -2,-0.6 -1,-0.1 1,-0.2 6,-0.1 0.797 92.2 62.0 -60.9 -29.1 -16.7 33.6 228.5 56 57 A E T 34 S+ 0 0 170 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.885 117.9 25.7 -64.9 -39.1 -18.7 35.9 226.3 57 58 A T T <4 S+ 0 0 79 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.532 135.1 31.8-104.7 -9.7 -17.6 34.2 223.1 58 59 A N >< + 0 0 2 -4,-1.9 3,-1.9 1,-0.1 -1,-0.2 -0.419 64.0 160.7-143.4 62.5 -16.9 30.7 224.4 59 60 A P T 3 S+ 0 0 75 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.778 78.1 51.0 -63.0 -27.2 -19.3 30.1 227.3 60 61 A F T 3 S- 0 0 156 2,-0.0 -5,-0.1 -5,-0.0 -2,-0.0 0.536 105.6-130.4 -82.3 -7.1 -18.9 26.3 227.2 61 62 A L < + 0 0 14 -3,-1.9 2,-0.3 1,-0.2 -8,-0.1 0.971 49.4 157.4 50.9 62.7 -15.1 26.7 227.2 62 63 A M - 0 0 89 -10,-0.1 -10,-0.7 1,-0.0 2,-0.2 -0.772 49.4 -90.8-109.7 158.0 -14.4 24.4 224.3 63 64 A E B -F 51 0C 78 -2,-0.3 -12,-0.3 -12,-0.2 3,-0.2 -0.496 31.4-172.9 -66.2 133.1 -11.3 24.3 222.0 64 65 A R S S+ 0 0 129 -14,-3.1 2,-0.4 1,-0.3 -13,-0.2 0.700 80.0 32.0 -93.8 -30.8 -11.7 26.5 219.0 65 66 A I S S- 0 0 96 -15,-1.9 -1,-0.3 2,-0.0 2,-0.1 -0.880 80.9-149.6-133.3 101.0 -8.5 25.3 217.3 66 67 A G - 0 0 22 -2,-0.4 25,-2.7 -3,-0.2 2,-0.5 -0.420 4.3-147.4 -71.6 143.4 -7.5 21.7 217.9 67 68 A M E -G 90 0D 28 23,-0.3 23,-0.3 24,-0.1 3,-0.1 -0.956 15.9-179.7-111.6 129.5 -3.8 20.8 217.8 68 69 A N E - 0 0 58 21,-2.6 2,-0.3 -2,-0.5 -26,-0.3 0.810 54.3 -3.3 -99.3 -38.6 -3.0 17.3 216.6 69 70 A A E -G 89 0D 0 20,-1.8 20,-2.7 -27,-0.1 2,-0.4 -0.997 39.1-150.4-159.5 152.8 0.8 16.7 216.7 70 71 A T E +G 88 0D 0 274,-1.9 2,-0.2 -2,-0.3 18,-0.2 -0.971 48.6 136.0-129.6 110.9 4.2 18.2 217.5 71 72 A L E +G 87 0D 1 16,-3.1 16,-2.2 -2,-0.4 275,-0.1 -0.724 34.6 33.1-144.3-177.1 6.8 16.5 215.3 72 73 A N E S- 0 0 4 -2,-0.2 2,-0.4 273,-0.2 59,-0.4 0.679 71.1-173.1 23.6 70.7 9.9 16.6 213.1 73 74 A A E - 0 0 1 13,-0.1 252,-0.7 57,-0.1 13,-0.2 -0.693 23.3-140.9-100.2 136.7 11.6 19.5 214.8 74 75 A G E -G 85 0D 0 11,-2.6 11,-2.3 -2,-0.4 2,-0.3 -0.318 26.5-153.3 -71.7 172.4 14.6 21.5 213.9 75 76 A A E +G 84 0D 10 250,-0.4 252,-0.4 9,-0.3 2,-0.3 -0.993 20.1 167.1-153.9 148.6 16.9 22.5 216.7 76 77 A I E -G 83 0D 20 7,-2.2 7,-2.4 -2,-0.3 2,-0.5 -0.981 37.5-117.1-157.2 145.0 19.5 25.1 217.7 77 78 A K E -G 82 0D 81 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.792 42.6-173.6 -81.3 126.5 21.3 26.4 220.7 78 79 A W E > -G 81 0D 45 3,-2.7 3,-2.7 -2,-0.5 -2,-0.0 -0.960 54.3 -33.6-136.4 114.4 20.1 30.0 221.1 79 80 A D T 3 S- 0 0 131 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.867 125.9 -43.0 46.1 46.5 21.3 32.6 223.5 80 81 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.346 121.4 101.1 87.6 -5.9 22.0 30.0 226.2 81 82 A K E < S-G 78 0D 77 -3,-2.7 -3,-2.7 23,-0.0 2,-0.6 -0.710 73.3-117.2-112.9 163.1 18.8 28.0 225.6 82 83 A Y E -GH 77 102D 23 20,-2.7 20,-2.2 -2,-0.2 2,-0.4 -0.879 38.5-168.4 -99.8 116.8 17.9 24.8 223.9 83 84 A L E -GH 76 101D 2 -7,-2.4 -7,-2.2 -2,-0.6 2,-0.4 -0.883 15.6-163.0-113.5 135.9 15.4 25.5 221.0 84 85 A M E -GH 75 100D 1 16,-2.8 16,-2.3 -2,-0.4 2,-0.8 -0.924 14.6-148.0-104.5 142.1 13.3 23.4 218.9 85 86 A L E -GH 74 99D 1 -11,-2.3 -11,-2.6 -2,-0.4 46,-0.3 -0.861 36.1-155.0-103.6 92.5 11.8 24.6 215.6 86 87 A V E - 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