==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JAN-10 3LIG . COMPND 2 MOLECULE: FRUCTOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS JAPONICUS; . AUTHOR P.CHUANKHAYAN,C.J.CHEN,C.M.CHIANG . 634 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 220 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 58 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 . 3 5 3 3 4 6 4 3 1 2 0 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 1 2 2 1 1 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 20 A S 0 0 172 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.5 71.3 30.0 94.0 2 21 A Y + 0 0 90 2,-0.0 2,-0.4 3,-0.0 0, 0.0 -0.645 360.0 178.6 -85.7 129.8 70.1 29.8 90.4 3 22 A H - 0 0 139 -2,-0.4 18,-0.0 2,-0.0 0, 0.0 -0.995 46.4 -89.2-126.1 132.4 67.7 27.0 89.3 4 23 A L + 0 0 60 -2,-0.4 2,-0.3 1,-0.1 18,-0.0 -0.104 50.1 168.6 -47.6 125.3 66.5 27.0 85.7 5 24 A D > - 0 0 55 4,-0.1 3,-1.2 3,-0.1 -1,-0.1 -0.858 16.5-172.1-142.8 102.4 63.4 29.1 85.1 6 25 A T T 3 S+ 0 0 21 -2,-0.3 595,-2.2 1,-0.2 596,-0.3 0.092 85.1 64.4 -85.1 23.8 62.6 29.7 81.5 7 26 A T T 3 S+ 0 0 81 593,-0.2 -1,-0.2 594,-0.1 593,-0.1 0.410 100.6 64.8-113.9 -12.2 59.8 32.2 82.4 8 27 A A S < S- 0 0 30 -3,-1.2 -3,-0.1 1,-0.1 0, 0.0 -0.664 105.3 -76.2-107.0 162.7 62.4 34.4 83.9 9 28 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.262 52.9-105.8 -61.2 143.3 65.3 36.2 82.1 10 29 A P - 0 0 21 0, 0.0 4,-0.0 0, 0.0 -4,-0.0 -0.402 38.7-103.8 -67.7 143.4 68.3 34.1 81.1 11 30 A P - 0 0 31 0, 0.0 3,-0.2 0, 0.0 531,-0.1 -0.306 31.4-114.8 -63.6 156.0 71.4 34.6 83.2 12 31 A T S S+ 0 0 109 1,-0.2 2,-0.6 -3,-0.1 0, 0.0 0.905 105.7 40.0 -61.9 -39.8 74.0 36.7 81.4 13 32 A N > + 0 0 71 1,-0.1 3,-1.4 530,-0.1 -1,-0.2 -0.861 59.4 179.7-117.1 101.4 76.5 33.8 81.2 14 33 A L G > S+ 0 0 0 -2,-0.6 3,-1.3 1,-0.3 -1,-0.1 0.765 79.7 68.5 -65.6 -25.9 75.0 30.4 80.3 15 34 A S G 3 S+ 0 0 51 1,-0.2 -1,-0.3 375,-0.1 379,-0.1 0.462 89.7 62.2 -76.2 0.6 78.4 28.7 80.5 16 35 A T G < S+ 0 0 98 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.470 84.0 105.1-100.6 -5.3 78.7 29.2 84.2 17 36 A L S < S- 0 0 15 -3,-1.3 3,-0.1 -4,-0.2 5,-0.1 -0.282 81.8 -86.9 -74.5 159.4 75.6 27.0 84.9 18 37 A P > - 0 0 84 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.234 59.1 -77.4 -64.6 155.1 75.8 23.4 86.3 19 38 A N T 3 S+ 0 0 117 1,-0.2 376,-0.3 2,-0.1 375,-0.1 -0.222 113.6 6.5 -55.3 139.3 76.3 20.5 84.0 20 39 A N T > S+ 0 0 91 374,-2.1 3,-1.8 373,-0.1 -1,-0.2 0.479 84.5 130.6 67.0 6.6 73.2 19.4 82.1 21 40 A T T < S+ 0 0 36 -3,-1.8 3,-0.3 1,-0.3 375,-0.2 0.860 79.1 40.7 -56.5 -35.2 71.1 22.3 83.3 22 41 A L T 3> S+ 0 0 0 373,-2.7 4,-0.6 -4,-0.3 -1,-0.3 0.154 78.0 121.7-100.1 18.3 70.0 23.0 79.7 23 42 A F T <4 S+ 0 0 37 -3,-1.8 -1,-0.2 372,-0.5 4,-0.1 0.834 84.9 26.9 -50.2 -41.6 69.5 19.4 78.7 24 43 A H T 4 S+ 0 0 146 -3,-0.3 3,-0.3 -4,-0.2 -1,-0.2 0.621 94.8 93.9-100.4 -14.1 65.8 19.8 77.7 25 44 A L T 4 S+ 0 0 20 -3,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.829 108.7 7.5 -46.4 -48.0 65.6 23.5 76.8 26 45 A W S < S+ 0 0 2 -4,-0.6 554,-0.9 -3,-0.1 555,-0.3 0.277 95.2 131.0-122.1 9.0 66.2 23.1 73.1 27 46 A R - 0 0 31 -3,-0.3 -3,-0.0 -5,-0.2 -4,-0.0 -0.455 49.8-134.5 -72.5 129.3 66.1 19.3 72.7 28 47 A P - 0 0 9 0, 0.0 551,-0.1 0, 0.0 -1,-0.1 -0.278 9.3-159.4 -76.3 166.3 63.8 17.8 69.9 29 48 A R S S+ 0 0 97 599,-0.1 601,-3.2 600,-0.0 602,-0.4 0.562 86.9 44.8-119.1 -18.8 61.5 14.9 70.4 30 49 A A S S+ 0 0 3 599,-0.2 2,-0.3 600,-0.1 599,-0.1 0.122 96.2 90.0-115.3 19.9 60.9 13.6 66.9 31 50 A H S S- 0 0 2 373,-0.1 2,-0.6 547,-0.0 372,-0.1 -0.749 79.3-102.8-115.8 164.4 64.5 13.7 65.6 32 51 A I + 0 0 3 -2,-0.3 370,-2.4 370,-0.2 -2,-0.1 -0.757 60.4 127.4 -89.6 118.2 67.3 11.2 65.5 33 52 A L - 0 0 3 -2,-0.6 368,-0.1 368,-0.2 5,-0.1 -0.966 58.5 -88.3-160.6 158.4 70.1 11.9 68.1 34 53 A P - 0 0 5 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.272 44.0-102.7 -69.8 162.4 71.9 9.9 70.8 35 54 A A S S- 0 0 34 1,-0.1 2,-0.3 48,-0.0 49,-0.0 0.801 99.7 -23.7 -53.7 -31.5 70.5 9.7 74.4 36 55 A E S S+ 0 0 93 2,-0.1 362,-0.2 47,-0.1 -1,-0.1 -0.922 107.0 54.3-165.2 176.6 73.2 12.3 75.3 37 56 A G E S-a 398 0A 16 360,-2.2 362,-1.9 -2,-0.3 2,-0.3 -0.180 87.8 -44.9 80.3-174.5 76.5 13.5 74.0 38 57 A Q E -a 399 0A 33 360,-0.3 23,-2.0 -5,-0.1 2,-0.4 -0.663 42.9-147.8-101.4 152.4 77.4 14.7 70.5 39 58 A I E -B 60 0B 1 360,-2.1 343,-0.3 -2,-0.3 21,-0.2 -0.950 16.1-179.4-118.6 135.8 76.4 13.4 67.1 40 59 A G E - 0 0 7 19,-3.1 340,-0.1 -2,-0.4 -1,-0.0 -0.143 51.7 -15.0-109.3-152.4 78.6 13.6 64.1 41 60 A D E - 0 0 24 17,-0.2 18,-3.0 -2,-0.1 -1,-0.3 -0.151 65.7-126.7 -52.9 138.5 78.1 12.5 60.5 42 61 A P E +B 58 0B 1 0, 0.0 16,-0.3 0, 0.0 2,-0.3 -0.500 50.1 137.2 -80.4 157.3 75.3 9.9 60.0 43 62 A C + 0 0 5 14,-2.0 14,-0.5 -2,-0.1 59,-0.2 -0.978 29.4 62.7-179.0 178.6 76.5 6.8 58.1 44 63 A A + 0 0 8 57,-2.4 58,-0.2 -2,-0.3 14,-0.1 0.708 61.9 163.6 59.3 27.6 76.4 3.0 57.9 45 64 A H + 0 0 4 56,-0.2 58,-0.7 309,-0.2 2,-0.3 -0.404 5.3 154.4 -75.0 153.1 72.7 2.8 57.2 46 65 A Y E -C 55 0B 3 9,-1.8 9,-3.4 309,-0.1 2,-0.6 -0.921 45.2-118.1-176.2 148.0 71.2 -0.4 55.8 47 66 A T E -C 54 0B 12 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.859 36.5-129.3 -92.6 122.3 68.1 -2.6 55.6 48 67 A D > - 0 0 17 5,-2.9 4,-3.6 -2,-0.6 5,-0.3 -0.636 12.2-149.1 -75.0 115.5 68.8 -5.9 57.3 49 68 A P T 4 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 57,-0.1 0.906 92.7 47.6 -49.4 -51.3 67.8 -8.7 54.7 50 69 A S T 4 S+ 0 0 113 1,-0.2 -2,-0.0 2,-0.1 -3,-0.0 0.896 127.8 21.7 -60.6 -47.8 66.8 -11.2 57.4 51 70 A T T 4 S- 0 0 68 2,-0.1 -1,-0.2 94,-0.0 3,-0.1 0.716 89.5-135.8 -95.8 -26.5 64.6 -8.9 59.6 52 71 A G < + 0 0 9 -4,-3.6 310,-2.7 1,-0.3 311,-0.8 0.498 56.6 143.9 80.5 2.3 63.8 -6.2 57.1 53 72 A L - 0 0 51 -5,-0.3 -5,-2.9 308,-0.2 2,-0.5 -0.474 51.4-126.7 -74.3 144.2 64.6 -3.7 59.8 54 73 A F E -CD 47 70B 1 16,-2.3 16,-1.8 -7,-0.2 2,-0.4 -0.834 22.2-153.0 -95.7 126.7 66.2 -0.4 58.8 55 74 A H E -CD 46 69B 8 -9,-3.4 -9,-1.8 -2,-0.5 2,-0.4 -0.830 5.6-159.8-101.4 137.4 69.4 0.3 60.7 56 75 A V E - D 0 68B 3 12,-3.3 12,-1.9 -2,-0.4 2,-0.3 -0.895 9.4-171.7-114.2 144.4 70.7 3.9 61.2 57 76 A G E + D 0 67B 0 -14,-0.5 -14,-2.0 -2,-0.4 2,-0.3 -0.908 9.5 165.4-133.2 162.7 74.2 4.9 62.1 58 77 A F E -BD 42 66B 3 8,-1.8 8,-3.2 -16,-0.3 -17,-0.2 -0.939 42.2 -97.6-171.1 148.4 76.1 8.0 63.1 59 78 A L E - D 0 65B 22 -18,-3.0 -19,-3.1 -2,-0.3 2,-0.4 -0.515 43.5-163.0 -69.5 143.8 79.4 9.1 64.5 60 79 A H E > -B 39 0B 3 4,-2.2 3,-1.9 -21,-0.2 -21,-0.2 -0.980 60.1 -17.5-139.2 122.9 79.0 9.7 68.3 61 80 A D T 3 S- 0 0 83 -23,-2.0 -22,-0.1 -2,-0.4 4,-0.1 0.735 108.2 -79.6 56.6 26.6 81.3 11.6 70.6 62 81 A G T 3 S+ 0 0 65 2,-0.2 -1,-0.3 -24,-0.2 36,-0.1 0.762 116.4 104.0 55.0 27.3 84.1 11.4 68.1 63 82 A D S < S- 0 0 69 -3,-1.9 2,-0.2 1,-0.4 -1,-0.1 -0.053 88.2 -64.0-130.8 34.6 84.7 7.9 69.3 64 83 A G - 0 0 1 34,-0.4 -4,-2.2 24,-0.2 2,-0.5 -0.671 69.7 -44.6 119.8-174.0 83.2 5.6 66.7 65 84 A I E -DE 59 87B 1 22,-1.9 21,-3.7 -6,-0.2 22,-1.5 -0.857 46.8-170.1-101.9 129.9 79.9 4.8 65.0 66 85 A A E -DE 58 85B 0 -8,-3.2 -8,-1.8 -2,-0.5 2,-0.3 -0.701 11.1-160.1-109.9 166.9 76.7 4.2 67.0 67 86 A G E -D 57 0B 1 17,-2.3 12,-1.7 -2,-0.2 13,-0.4 -0.893 20.0-176.1-146.2 175.6 73.4 2.9 65.8 68 87 A A E -DF 56 78B 1 -12,-1.9 -12,-3.3 -2,-0.3 2,-0.3 -0.950 18.2-136.3-159.5 167.2 69.7 2.4 66.1 69 88 A T E -DF 55 77B 27 8,-2.3 8,-2.1 -2,-0.3 2,-0.3 -0.897 10.1-166.9-132.1 162.0 66.9 0.5 64.3 70 89 A T E -D 54 0B 4 -16,-1.8 -16,-2.3 -2,-0.3 293,-0.2 -0.992 16.5-166.4-148.9 143.0 63.4 1.2 63.1 71 90 A A S S+ 0 0 47 4,-0.4 295,-0.2 -2,-0.3 5,-0.1 0.485 96.8 22.2-105.7 -5.3 60.6 -1.0 61.8 72 91 A N S S- 0 0 53 3,-0.5 4,-0.1 -18,-0.1 379,-0.1 0.450 95.8-118.1-137.3 -10.3 58.5 1.9 60.5 73 92 A L S S+ 0 0 0 2,-0.4 3,-0.1 -19,-0.1 -3,-0.1 0.921 103.5 81.1 65.6 32.0 60.8 4.9 59.9 74 93 A A S S+ 0 0 13 1,-0.5 2,-0.3 556,-0.1 -1,-0.1 0.326 94.7 28.4-129.7 -39.6 58.6 6.7 62.5 75 94 A T - 0 0 41 556,-0.1 -3,-0.5 557,-0.0 -1,-0.5 -0.886 69.5-156.9-128.5 148.5 60.2 5.4 65.9 76 95 A Y - 0 0 3 554,-2.8 557,-0.5 -2,-0.3 2,-0.4 -0.851 6.4-153.8-127.3 161.0 63.6 4.2 66.7 77 96 A T E -F 69 0B 55 -8,-2.1 -8,-2.3 -2,-0.3 554,-0.0 -0.998 26.2-116.8-136.6 130.2 65.4 1.9 69.2 78 97 A D E -F 68 0B 42 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.323 17.0-133.5 -63.5 144.1 69.0 2.1 70.3 79 98 A T S S- 0 0 13 -12,-1.7 2,-0.3 5,-0.3 -1,-0.1 0.861 81.5 -23.0 -67.7 -32.0 71.1 -0.9 69.5 80 99 A S - 0 0 52 -13,-0.4 -1,-0.2 4,-0.0 3,-0.1 -0.966 70.0 -95.9-165.0 173.8 72.4 -0.8 73.1 81 100 A D S > S+ 0 0 137 -2,-0.3 3,-2.0 1,-0.2 4,-0.4 -0.107 89.1 56.7 -87.7-168.7 73.0 1.3 76.1 82 101 A N T 3 S- 0 0 142 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.894 141.3 -32.1 48.9 51.3 76.2 3.2 77.1 83 102 A G T 3 S- 0 0 15 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.079 83.2-115.9 99.4 -26.5 76.4 5.1 73.9 84 103 A S < + 0 0 4 -3,-2.0 -17,-2.3 1,-0.2 -5,-0.3 0.858 52.2 179.6 61.3 36.6 74.9 2.4 71.7 85 104 A F E -E 66 0B 31 -3,-0.4 -19,-0.3 -4,-0.4 -1,-0.2 -0.386 27.9-173.8 -73.0 148.6 78.2 2.0 69.8 86 105 A L E S+ 0 0 16 -21,-3.7 63,-2.5 1,-0.4 2,-0.3 0.728 75.1 2.1-106.5 -38.9 78.7 -0.4 67.0 87 106 A I E -E 65 0B 6 -22,-1.5 -22,-1.9 61,-0.2 -1,-0.4 -0.985 64.8-173.7-153.4 139.1 82.5 0.0 66.4 88 107 A Q - 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