==== 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 3WAU . 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 . 767 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 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 . 241 31.4 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 . 9 1.2 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 . 2 0.3 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 . 63 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 11.7 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 . 13 10 2 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 . 1 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,-0.1 0.000 360.0 360.0 360.0 159.5 -17.4 31.5 239.3 2 3 A L H > + 0 0 143 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.881 360.0 50.1 -63.1 -39.4 -17.5 28.0 237.7 3 4 A F H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.935 110.7 47.7 -65.8 -49.0 -16.1 29.3 234.4 4 5 A N H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 111.2 52.4 -61.6 -35.6 -13.2 31.1 236.0 5 6 A D H X S+ 0 0 78 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.906 108.1 51.3 -64.2 -41.8 -12.5 28.1 238.0 6 7 A K H X S+ 0 0 105 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.909 111.0 47.4 -61.7 -43.0 -12.4 25.9 234.9 7 8 A V H X S+ 0 0 20 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.935 110.4 52.9 -63.3 -44.5 -10.0 28.3 233.2 8 9 A A H X S+ 0 0 38 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.884 109.7 48.8 -58.5 -39.4 -7.8 28.4 236.3 9 10 A K H X S+ 0 0 98 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.880 108.6 52.8 -69.3 -39.4 -7.7 24.6 236.2 10 11 A L H X S+ 0 0 45 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.926 113.3 44.2 -58.3 -45.5 -6.8 24.4 232.5 11 12 A L H X S+ 0 0 72 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 114.5 48.6 -68.5 -42.1 -3.9 26.8 233.1 12 13 A A H X S+ 0 0 13 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.891 112.0 47.8 -67.2 -41.5 -2.7 25.0 236.3 13 14 A G H X S+ 0 0 38 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.873 111.0 53.2 -66.6 -36.1 -2.8 21.6 234.7 14 15 A H H X S+ 0 0 21 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.910 108.8 48.0 -65.5 -43.0 -0.9 23.0 231.7 15 16 A E H X S+ 0 0 61 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.897 109.5 53.6 -64.8 -39.4 1.8 24.4 233.9 16 17 A A H X S+ 0 0 34 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.925 111.6 45.7 -61.3 -44.1 2.1 21.1 235.8 17 18 A L H >< S+ 0 0 43 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.949 113.4 49.3 -59.4 -50.2 2.6 19.3 232.4 18 19 A L H 3< S+ 0 0 4 -4,-2.7 90,-0.5 1,-0.2 -2,-0.2 0.822 113.4 45.7 -62.1 -33.3 5.1 21.8 231.1 19 20 A M H 3< S+ 0 0 21 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.496 79.1 131.3 -91.9 -3.5 7.2 21.7 234.3 20 21 A R << - 0 0 113 -3,-1.1 88,-0.5 -4,-0.6 2,-0.3 -0.252 59.8-121.8 -58.7 128.7 7.4 18.0 234.7 21 22 A K - 0 0 113 86,-0.1 2,-0.2 87,-0.1 -1,-0.1 -0.513 23.0-136.1 -73.4 129.8 10.9 16.7 235.3 22 23 A N - 0 0 3 -2,-0.3 85,-0.1 14,-0.1 84,-0.1 -0.516 15.8-154.4 -82.6 155.9 12.1 14.2 232.7 23 24 A E - 0 0 85 -2,-0.2 13,-3.1 83,-0.1 14,-0.2 -0.994 17.3-115.6-131.8 139.7 14.0 11.1 233.9 24 25 A P B -A 35 0A 67 0, 0.0 2,-0.6 0, 0.0 11,-0.3 -0.383 27.2-116.7 -72.0 152.5 16.4 9.0 231.9 25 26 A V - 0 0 40 9,-3.2 9,-0.3 1,-0.1 0, 0.0 -0.807 20.6-155.1 -85.3 120.1 15.6 5.4 231.1 26 27 A E S S+ 0 0 193 -2,-0.6 2,-0.7 7,-0.1 -1,-0.1 0.761 75.5 80.5 -75.2 -21.8 18.3 3.4 232.9 27 28 A E + 0 0 147 -3,-0.1 2,-0.3 2,-0.0 7,-0.2 -0.757 67.8 127.3 -83.7 116.0 17.9 0.5 230.5 28 29 A G - 0 0 63 -2,-0.7 5,-0.1 5,-0.1 -2,-0.0 -0.869 67.2-105.9-154.0-173.7 19.9 1.4 227.4 29 30 A N - 0 0 99 3,-0.7 4,-0.1 -2,-0.3 -2,-0.0 0.288 56.2-109.4-109.1 7.0 22.6 0.3 224.9 30 31 A G S S+ 0 0 62 2,-0.4 3,-0.1 1,-0.1 -3,-0.0 0.351 106.9 76.6 83.2 -7.4 25.4 2.6 226.1 31 32 A V S S+ 0 0 26 1,-0.4 2,-0.3 274,-0.1 320,-0.3 0.867 103.0 13.2 -97.0 -57.7 25.2 4.7 223.0 32 33 A I - 0 0 6 273,-0.1 -3,-0.7 318,-0.1 2,-0.6 -0.927 64.2-141.3-121.4 149.9 22.1 6.8 223.6 33 34 A T E -B 349 0B 54 316,-2.6 316,-2.4 -2,-0.3 2,-0.1 -0.945 18.1-154.5-108.7 121.7 20.0 7.5 226.7 34 35 A R E -B 348 0B 48 -2,-0.6 -9,-3.2 -9,-0.3 2,-0.3 -0.466 12.0-131.5 -84.3 165.6 16.3 7.7 226.2 35 36 A Y B -A 24 0A 24 312,-0.5 312,-0.1 -11,-0.3 4,-0.0 -0.900 14.0-121.9-125.3 151.2 13.9 9.6 228.5 36 37 A R S S+ 0 0 160 -13,-3.1 -1,-0.1 -2,-0.3 -14,-0.1 0.820 92.4 39.3 -61.3 -36.1 10.7 8.6 230.2 37 38 A Y S S- 0 0 54 -14,-0.2 310,-0.4 -17,-0.0 -2,-0.1 -0.859 85.5-107.1-118.4 150.5 8.6 11.4 228.7 38 39 A P - 0 0 23 0, 0.0 308,-0.3 0, 0.0 3,-0.1 -0.328 23.4-135.8 -58.6 153.0 8.3 13.1 225.4 39 40 A V S S+ 0 0 4 306,-2.0 70,-0.3 1,-0.3 2,-0.3 0.757 87.5 15.3 -83.5 -26.3 9.7 16.7 225.3 40 41 A L B +C 345 0B 0 305,-1.6 305,-2.7 30,-0.1 -1,-0.3 -0.992 62.5 165.5-147.0 143.3 6.7 17.9 223.4 41 42 A T > - 0 0 34 -2,-0.3 3,-2.3 303,-0.2 4,-0.4 -0.897 55.6 -93.5-139.7 170.5 3.2 16.6 222.5 42 43 A A G > S+ 0 0 21 301,-0.3 3,-1.3 26,-0.3 27,-0.1 0.823 125.1 62.7 -56.4 -30.4 0.1 18.4 221.2 43 44 A A G 3 S+ 0 0 52 1,-0.3 -1,-0.3 25,-0.1 -26,-0.1 0.672 91.0 66.8 -71.1 -16.4 -1.0 18.9 224.8 44 45 A H G < S+ 0 0 15 -3,-2.3 67,-0.4 -27,-0.1 -1,-0.3 0.644 74.8 106.5 -76.6 -16.4 2.1 21.0 225.3 45 46 A T S < S- 0 0 0 -3,-1.3 5,-0.1 -4,-0.4 22,-0.1 -0.370 90.0 -84.9 -62.2 145.4 0.8 23.7 223.0 46 47 A P >> - 0 0 8 0, 0.0 3,-1.7 0, 0.0 4,-0.9 -0.132 27.3-126.9 -55.7 146.6 -0.4 26.8 225.0 47 48 A V H >> S+ 0 0 5 1,-0.3 4,-2.8 2,-0.2 3,-0.5 0.848 111.2 59.4 -58.5 -32.6 -3.9 26.7 226.4 48 49 A F H 34 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.417 97.6 58.7 -82.8 1.8 -4.5 30.1 224.7 49 50 A W H <4 S+ 0 0 32 -3,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.744 118.0 30.3 -86.7 -32.8 -3.7 28.6 221.3 50 51 A R H << S+ 0 0 21 -4,-0.9 14,-3.1 -3,-0.5 15,-1.7 0.842 115.3 52.1 -98.9 -43.0 -6.5 26.1 221.7 51 52 A Y B < -F 63 0C 49 -4,-2.8 2,-0.7 12,-0.3 12,-0.2 -0.803 68.9-133.5-100.8 143.0 -9.2 27.7 223.8 52 53 A D - 0 0 47 10,-0.7 9,-0.1 -2,-0.4 10,-0.1 -0.851 22.9-161.2 -79.7 116.0 -11.0 31.0 223.6 53 54 A L + 0 0 62 -2,-0.7 2,-0.6 -5,-0.1 -1,-0.1 0.435 56.6 104.8 -87.3 3.6 -10.7 32.1 227.2 54 55 A N >> - 0 0 72 1,-0.1 4,-1.8 2,-0.0 3,-0.6 -0.758 59.2-155.1 -90.5 118.4 -13.5 34.7 227.0 55 56 A E T 34 S+ 0 0 95 -2,-0.6 -1,-0.1 1,-0.2 6,-0.1 0.805 91.7 61.3 -60.6 -30.7 -16.8 33.5 228.6 56 57 A E T 34 S+ 0 0 171 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.878 118.1 26.4 -65.7 -38.0 -18.8 35.9 226.4 57 58 A T T <4 S+ 0 0 77 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.534 134.8 31.3-104.0 -10.3 -17.7 34.2 223.2 58 59 A N >< + 0 0 1 -4,-1.8 3,-1.9 1,-0.1 -1,-0.2 -0.431 64.6 160.9-142.8 62.8 -16.9 30.6 224.5 59 60 A P T 3 S+ 0 0 76 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.760 78.4 50.9 -62.2 -27.7 -19.3 30.0 227.4 60 61 A F T 3 S- 0 0 158 -3,-0.1 -5,-0.1 2,-0.0 -2,-0.0 0.519 105.4-131.4 -83.8 -7.5 -18.9 26.2 227.3 61 62 A L < + 0 0 12 -3,-1.9 2,-0.3 1,-0.2 -8,-0.1 0.971 48.5 157.4 51.6 62.2 -15.1 26.6 227.3 62 63 A M - 0 0 90 -10,-0.1 -10,-0.7 1,-0.0 2,-0.2 -0.754 49.6 -90.2-108.7 161.5 -14.3 24.3 224.4 63 64 A E B -F 51 0C 80 -2,-0.3 -12,-0.3 -12,-0.2 3,-0.2 -0.531 31.5-172.5 -70.7 133.0 -11.3 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 0.714 80.0 32.7 -92.7 -28.9 -11.7 26.5 219.0 65 66 A I S S- 0 0 93 -15,-1.7 -1,-0.3 26,-0.0 2,-0.1 -0.873 81.4-148.4-135.3 99.0 -8.5 25.3 217.3 66 67 A G - 0 0 24 -2,-0.4 25,-3.0 -3,-0.2 2,-0.5 -0.400 3.8-148.9 -69.6 139.7 -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 -0.944 16.2 178.2-108.2 131.7 -3.8 20.8 217.9 68 69 A N E - 0 0 58 21,-2.6 2,-0.3 -2,-0.5 -26,-0.3 0.803 54.5 -0.3-102.3 -39.4 -3.0 17.3 216.7 69 70 A A E -G 89 0D 0 20,-1.9 20,-2.8 -27,-0.1 2,-0.4 -0.998 38.9-152.9-158.4 151.5 0.8 16.7 216.7 70 71 A T E +G 88 0D 0 273,-1.9 18,-0.2 -2,-0.3 2,-0.2 -0.959 47.7 135.7-129.2 110.3 4.2 18.2 217.5 71 72 A L E +G 87 0D 2 16,-3.1 16,-2.2 -2,-0.4 274,-0.1 -0.709 34.9 34.1-143.4-175.8 6.8 16.5 215.4 72 73 A N E S- 0 0 5 -2,-0.2 59,-0.4 272,-0.2 2,-0.4 0.682 70.3-171.4 24.6 71.1 9.9 16.7 213.2 73 74 A A E - 0 0 1 13,-0.1 251,-0.7 57,-0.1 13,-0.2 -0.702 21.6-142.5 -98.5 137.1 11.6 19.6 215.0 74 75 A G E -G 85 0D 0 11,-2.4 11,-2.3 -2,-0.4 2,-0.3 -0.348 27.4-153.6 -74.6 173.3 14.7 21.6 213.9 75 76 A A E +G 84 0D 8 249,-0.4 251,-0.3 9,-0.3 2,-0.3 -0.998 21.1 167.9-154.9 150.1 17.0 22.6 216.8 76 77 A I E -G 83 0D 18 7,-2.1 7,-2.2 -2,-0.3 2,-0.5 -0.971 37.3-117.3-159.0 144.7 19.5 25.2 217.8 77 78 A K E -G 82 0D 79 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.789 43.1-172.6 -82.2 130.2 21.3 26.4 220.9 78 79 A W E > -G 81 0D 47 3,-2.7 3,-2.6 -2,-0.5 -2,-0.0 -0.952 53.7 -34.3-140.0 113.1 20.1 30.0 221.3 79 80 A D T 3 S- 0 0 135 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.885 125.4 -44.3 42.5 48.6 21.3 32.6 223.7 80 81 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.403 121.4 100.3 84.3 -2.5 22.0 30.0 226.4 81 82 A K E < S-G 78 0D 86 -3,-2.6 -3,-2.7 23,-0.0 2,-0.6 -0.705 73.8-115.9-114.2 167.0 18.8 28.1 225.8 82 83 A Y E -GH 77 102D 23 20,-2.9 20,-2.2 -2,-0.2 2,-0.4 -0.910 38.2-168.3-103.8 118.9 17.8 24.9 224.0 83 84 A L E -GH 76 101D 2 -7,-2.2 -7,-2.1 -2,-0.6 2,-0.4 -0.902 15.2-163.7-117.2 135.9 15.4 25.6 221.2 84 85 A M E -GH 75 100D 1 16,-2.7 16,-2.2 -2,-0.4 2,-0.9 -0.934 15.4-147.5-106.7 140.9 13.3 23.4 219.0 85 86 A L E -GH 74 99D 1 -11,-2.3 -11,-2.4 -2,-0.4 46,-0.3 -0.872 36.6-154.6-101.1 93.6 11.8 24.7 215.7 86 87 A V E - 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