==== 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 3WAT . 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) . 37576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 64.4 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 . 247 31.7 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 . 10 1.3 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 . 67 8.6 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 . 90 11.6 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 . 12 10 3 5 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 87 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 154.9 -17.5 31.4 239.2 2 3 A L H > + 0 0 149 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.890 360.0 51.9 -61.8 -40.5 -17.5 27.9 237.6 3 4 A F H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 110.2 46.3 -62.1 -50.9 -16.2 29.3 234.3 4 5 A N H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.865 111.4 53.2 -62.3 -35.7 -13.2 31.1 235.9 5 6 A D H X S+ 0 0 78 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.896 108.4 50.7 -63.8 -39.6 -12.4 28.0 238.0 6 7 A K H X S+ 0 0 105 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.910 111.1 47.5 -65.4 -42.2 -12.4 25.9 234.8 7 8 A V H X S+ 0 0 21 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.939 111.0 51.9 -63.2 -45.7 -10.0 28.3 233.1 8 9 A A H X S+ 0 0 37 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.886 110.5 48.5 -58.5 -39.3 -7.8 28.4 236.2 9 10 A K H X S+ 0 0 96 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.874 108.5 53.3 -69.6 -39.1 -7.7 24.5 236.2 10 11 A L H X S+ 0 0 47 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.937 113.4 43.9 -57.6 -46.5 -6.8 24.4 232.5 11 12 A L H X S+ 0 0 72 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.921 114.2 49.4 -67.1 -41.9 -3.9 26.7 233.1 12 13 A A H X S+ 0 0 12 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.902 111.2 48.5 -66.3 -41.8 -2.8 24.9 236.2 13 14 A G H X S+ 0 0 37 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.890 111.5 51.9 -63.8 -39.5 -2.9 21.5 234.6 14 15 A H H X S+ 0 0 21 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.920 108.5 49.1 -64.0 -45.6 -0.9 22.9 231.7 15 16 A E H X S+ 0 0 64 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.900 110.0 52.2 -61.9 -40.1 1.8 24.4 233.9 16 17 A A H X S+ 0 0 33 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.910 111.2 47.3 -63.4 -41.0 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 0.954 113.2 48.5 -61.5 -49.7 2.6 19.2 232.4 18 19 A L H 3< S+ 0 0 5 -4,-2.8 90,-0.4 1,-0.2 -2,-0.2 0.812 113.0 47.0 -62.4 -31.5 5.1 21.8 231.1 19 20 A M H 3< S+ 0 0 20 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.487 78.5 130.7 -93.9 -0.9 7.2 21.7 234.3 20 21 A R << - 0 0 107 -3,-1.1 88,-0.5 -4,-0.6 2,-0.3 -0.265 60.0-122.0 -59.6 129.2 7.4 17.9 234.7 21 22 A K - 0 0 114 86,-0.1 2,-0.1 87,-0.1 -1,-0.1 -0.538 22.8-136.0 -75.5 129.6 11.0 16.7 235.3 22 23 A N - 0 0 4 -2,-0.3 85,-0.1 14,-0.1 84,-0.1 -0.484 16.2-156.3 -79.7 156.8 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 18.5-114.0-134.7 139.1 14.1 11.1 233.9 24 25 A P B -A 35 0A 66 0, 0.0 2,-0.5 0, 0.0 11,-0.3 -0.356 28.7-116.1 -67.8 149.0 16.5 9.0 231.9 25 26 A V - 0 0 45 9,-2.9 9,-0.3 1,-0.1 0, 0.0 -0.795 21.1-151.2 -83.2 124.9 15.6 5.4 231.1 26 27 A E S S+ 0 0 188 -2,-0.5 2,-0.5 7,-0.1 -1,-0.1 0.903 77.4 74.7 -65.7 -46.6 18.2 3.2 232.8 27 28 A E + 0 0 153 -3,-0.1 2,-0.3 2,-0.1 7,-0.2 -0.597 67.9 127.9 -73.8 118.0 18.1 0.4 230.4 28 29 A G - 0 0 62 -2,-0.5 5,-0.1 5,-0.1 -2,-0.0 -0.881 66.5-102.9-155.8-174.0 19.9 1.4 227.2 29 30 A N - 0 0 99 3,-0.7 4,-0.1 -2,-0.3 -2,-0.1 0.294 55.5-108.8-105.8 7.8 22.7 0.3 224.8 30 31 A G S S+ 0 0 62 2,-0.4 3,-0.1 1,-0.1 -3,-0.0 0.360 107.7 76.3 81.1 -7.2 25.5 2.6 226.1 31 32 A V S S+ 0 0 27 1,-0.4 2,-0.3 275,-0.1 321,-0.3 0.857 103.4 13.7 -96.5 -56.1 25.3 4.7 222.9 32 33 A I - 0 0 6 274,-0.1 -3,-0.7 319,-0.1 2,-0.6 -0.914 63.7-141.9-122.2 150.6 22.1 6.8 223.6 33 34 A T E -B 350 0B 54 317,-2.5 317,-2.2 -2,-0.3 2,-0.1 -0.953 18.2-154.4-109.2 121.2 20.0 7.4 226.7 34 35 A R E -B 349 0B 46 -2,-0.6 -9,-2.9 -9,-0.3 2,-0.3 -0.441 12.8-130.3 -82.5 166.0 16.3 7.7 226.1 35 36 A Y B -A 24 0A 24 313,-0.6 313,-0.1 -11,-0.3 4,-0.0 -0.895 13.0-122.7-123.3 152.0 14.0 9.6 228.5 36 37 A R S S+ 0 0 159 -13,-3.1 -1,-0.1 -2,-0.3 -14,-0.1 0.860 92.2 38.7 -62.0 -38.8 10.7 8.6 230.2 37 38 A Y S S- 0 0 51 -14,-0.2 311,-0.4 1,-0.1 -2,-0.1 -0.830 86.0-106.8-116.7 150.4 8.6 11.4 228.8 38 39 A P - 0 0 22 0, 0.0 309,-0.3 0, 0.0 3,-0.1 -0.333 22.4-135.3 -60.4 153.3 8.3 13.2 225.4 39 40 A V S S+ 0 0 4 307,-1.8 2,-0.3 1,-0.3 70,-0.3 0.762 88.1 15.2 -81.0 -28.3 9.7 16.7 225.3 40 41 A L B +C 346 0B 0 306,-1.6 306,-2.8 30,-0.1 -1,-0.3 -0.989 61.6 166.6-147.4 142.6 6.6 17.8 223.4 41 42 A T > - 0 0 34 -2,-0.3 3,-1.8 304,-0.2 4,-0.4 -0.858 55.2 -95.1-135.4 171.8 3.1 16.6 222.6 42 43 A A G > S+ 0 0 22 302,-0.3 3,-1.4 26,-0.3 27,-0.1 0.829 124.9 63.4 -57.8 -32.4 0.1 18.3 221.2 43 44 A A G 3 S+ 0 0 52 1,-0.3 -1,-0.3 25,-0.1 -26,-0.1 0.686 91.0 66.5 -66.7 -18.7 -1.0 18.8 224.8 44 45 A H G < S+ 0 0 15 -3,-1.8 67,-0.4 -27,-0.1 -1,-0.3 0.635 74.9 106.9 -76.4 -15.7 2.1 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 -0.337 89.6 -84.3 -60.2 148.0 0.8 23.7 223.0 46 47 A P >> - 0 0 7 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.180 26.4-128.5 -57.2 147.0 -0.4 26.7 224.9 47 48 A V H >> S+ 0 0 5 1,-0.3 4,-2.6 2,-0.2 3,-0.8 0.879 110.8 59.2 -59.2 -36.0 -3.9 26.7 226.4 48 49 A F H 34 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.456 97.9 58.8 -79.5 -0.2 -4.4 30.1 224.7 49 50 A W H <4 S+ 0 0 30 -3,-1.5 -1,-0.2 3,-0.1 -2,-0.2 0.717 117.5 30.4 -85.0 -28.7 -3.7 28.6 221.3 50 51 A R H << S+ 0 0 24 -3,-0.8 14,-3.1 -4,-0.8 15,-1.9 0.836 114.9 53.2-103.2 -42.4 -6.6 26.1 221.6 51 52 A Y B < -F 63 0C 47 -4,-2.6 2,-0.7 12,-0.3 12,-0.2 -0.804 68.9-134.1-100.7 140.4 -9.3 27.7 223.8 52 53 A D - 0 0 47 10,-0.7 9,-0.1 -2,-0.4 10,-0.1 -0.844 22.8-160.8 -79.3 115.1 -11.0 31.1 223.5 53 54 A L + 0 0 61 -2,-0.7 2,-0.6 -5,-0.1 -1,-0.1 0.434 57.2 103.9 -86.4 2.9 -10.7 32.1 227.1 54 55 A N >> - 0 0 80 1,-0.1 4,-1.8 2,-0.0 3,-0.6 -0.760 60.2-154.0 -90.1 118.4 -13.5 34.7 226.9 55 56 A E T 34 S+ 0 0 95 -2,-0.6 -1,-0.1 1,-0.2 6,-0.1 0.799 92.1 60.6 -59.7 -30.1 -16.8 33.5 228.5 56 57 A E T 34 S+ 0 0 176 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.885 117.4 27.8 -65.9 -40.2 -18.8 35.8 226.3 57 58 A T T <4 S+ 0 0 79 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.529 135.2 30.6-100.8 -9.7 -17.7 34.2 223.1 58 59 A N >< + 0 0 1 -4,-1.8 3,-1.9 1,-0.1 -1,-0.2 -0.412 64.6 160.7-144.4 62.9 -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 0.771 78.8 51.3 -62.7 -27.0 -19.4 30.1 227.3 60 61 A F T 3 S- 0 0 156 -3,-0.1 -5,-0.1 2,-0.0 -2,-0.0 0.525 105.1-132.1 -81.7 -7.3 -18.9 26.3 227.1 61 62 A L < + 0 0 13 -3,-1.9 2,-0.3 1,-0.2 -8,-0.1 0.966 48.7 157.1 49.5 62.0 -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 -0.757 50.1 -89.6-108.5 160.3 -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 -0.507 31.9-172.6 -67.3 133.5 -11.4 24.3 222.1 64 65 A R S S+ 0 0 130 -14,-3.1 2,-0.4 1,-0.3 -13,-0.2 0.692 80.2 31.9 -95.1 -28.2 -11.7 26.5 219.0 65 66 A I S S- 0 0 95 -15,-1.9 -1,-0.3 2,-0.0 2,-0.1 -0.881 81.0-149.4-135.1 101.7 -8.5 25.3 217.3 66 67 A G - 0 0 23 -2,-0.4 25,-2.7 -3,-0.2 2,-0.5 -0.435 4.9-146.4 -72.4 143.4 -7.5 21.7 217.9 67 68 A M E -G 90 0D 28 23,-0.3 23,-0.2 24,-0.1 3,-0.1 -0.951 16.5-180.0-111.7 128.3 -3.8 20.8 217.9 68 69 A N E - 0 0 57 21,-2.5 2,-0.3 -2,-0.5 -26,-0.3 0.830 54.1 -4.4 -98.2 -40.1 -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 -0.998 38.9-150.2-160.1 152.1 0.7 16.7 216.7 70 71 A T E +G 88 0D 0 274,-1.9 18,-0.2 -2,-0.3 2,-0.2 -0.970 48.4 134.9-128.9 113.1 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 -0.726 34.8 34.0-146.4-176.1 6.8 16.5 215.4 72 73 A N E S- 0 0 4 -2,-0.2 59,-0.4 273,-0.2 2,-0.4 0.685 71.2-173.4 21.3 72.3 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 -0.711 23.1-140.9-100.6 136.9 11.5 19.5 214.8 74 75 A G E -G 85 0D 0 11,-2.5 11,-2.3 -2,-0.4 2,-0.3 -0.330 26.4-152.6 -72.7 174.3 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 20.2 168.8-155.4 147.1 16.9 22.5 216.8 76 77 A I E -G 83 0D 18 7,-2.1 7,-2.4 -2,-0.3 2,-0.6 -0.985 36.5-119.2-155.5 144.4 19.4 25.2 217.7 77 78 A K E -G 82 0D 81 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.805 43.8-177.1 -82.5 126.2 21.3 26.4 220.8 78 79 A W E > -G 81 0D 44 3,-2.8 3,-2.5 -2,-0.6 -2,-0.1 -0.961 54.3 -28.5-139.2 115.7 20.1 30.0 221.1 79 80 A D T 3 S- 0 0 127 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.890 125.8 -47.0 48.1 45.9 21.2 32.6 223.6 80 81 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.422 121.0 104.7 80.6 -1.6 22.0 30.0 226.2 81 82 A K E < S-G 78 0D 83 -3,-2.5 -3,-2.8 23,-0.0 2,-0.6 -0.725 72.8-118.0-112.4 163.1 18.8 28.1 225.7 82 83 A Y E -GH 77 102D 23 20,-2.8 20,-2.1 -2,-0.3 2,-0.4 -0.885 38.3-168.9-100.4 115.6 17.8 24.8 223.9 83 84 A L E -GH 76 101D 2 -7,-2.4 -7,-2.1 -2,-0.6 2,-0.4 -0.880 15.7-163.3-113.8 135.1 15.4 25.6 221.1 84 85 A M E -GH 75 100D 1 16,-2.8 16,-2.3 -2,-0.4 2,-0.9 -0.932 15.3-147.1-105.2 142.6 13.3 23.3 218.9 85 86 A L E -GH 74 99D 1 -11,-2.3 -11,-2.5 -2,-0.4 46,-0.3 -0.857 36.4-155.2-102.0 90.6 11.8 24.6 215.7 86 87 A V E - 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