==== 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 15-JAN-10 3LEM . 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) . 24049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 64.2 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 . 218 34.4 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 . 6 0.9 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 . 1 0.2 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 . 68 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 5.4 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 1 2 0 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 6 2 4 3 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 0 180 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.0 71.7 29.5 93.4 2 21 A Y - 0 0 87 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.913 360.0-179.2-113.1 124.6 70.3 29.4 89.8 3 22 A H - 0 0 130 -2,-0.5 2,-0.2 14,-0.1 18,-0.0 -0.940 45.1 -91.1-117.0 140.1 67.8 26.9 88.6 4 23 A L + 0 0 58 -2,-0.4 2,-0.4 17,-0.1 -2,-0.0 -0.289 49.4 170.1 -55.7 118.0 66.7 27.0 84.9 5 24 A D > - 0 0 53 -2,-0.2 3,-1.4 4,-0.1 -1,-0.1 -0.868 13.3-175.2-131.6 98.2 63.6 29.2 84.6 6 25 A T T 3 S+ 0 0 21 -2,-0.4 595,-2.0 1,-0.3 596,-0.3 0.161 80.3 66.2 -82.4 19.0 62.6 29.9 81.0 7 26 A T T 3 S+ 0 0 85 593,-0.2 -1,-0.3 594,-0.1 593,-0.1 0.461 99.6 63.7-108.7 -12.3 59.8 32.2 81.9 8 27 A A S < S- 0 0 34 -3,-1.4 -3,-0.1 1,-0.1 0, 0.0 -0.726 105.1 -76.2-109.4 159.6 62.4 34.6 83.3 9 28 A P - 0 0 93 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.144 55.3-104.1 -53.9 146.8 65.3 36.4 81.4 10 29 A P - 0 0 24 0, 0.0 -4,-0.0 0, 0.0 4,-0.0 -0.392 37.1 -99.9 -74.3 150.0 68.3 34.3 80.5 11 30 A P - 0 0 30 0, 0.0 3,-0.3 0, 0.0 531,-0.1 -0.326 32.9-118.1 -63.4 154.7 71.5 34.6 82.5 12 31 A T S S+ 0 0 106 1,-0.2 2,-0.6 -3,-0.1 530,-0.0 0.885 104.0 37.4 -64.1 -36.9 74.1 36.8 80.8 13 32 A N > - 0 0 68 1,-0.1 3,-1.5 530,-0.1 4,-0.3 -0.875 60.2-178.1-123.6 100.9 76.6 33.9 80.4 14 33 A L G > S+ 0 0 0 -2,-0.6 3,-1.3 1,-0.3 -1,-0.1 0.780 80.2 70.9 -63.1 -28.8 75.1 30.5 79.7 15 34 A S G 3 S+ 0 0 49 1,-0.3 -1,-0.3 375,-0.1 379,-0.1 0.464 90.5 61.1 -71.4 1.4 78.6 28.9 79.8 16 35 A T G < S+ 0 0 99 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.636 83.2 102.0 -98.2 -19.5 78.7 29.5 83.6 17 36 A L S < S- 0 0 10 -3,-1.3 3,-0.1 -4,-0.3 -14,-0.1 -0.140 84.6 -87.3 -62.1 160.0 75.7 27.3 84.3 18 37 A P > - 0 0 79 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.302 56.7 -80.2 -68.1 152.2 76.1 23.7 85.7 19 38 A N T 3 S+ 0 0 112 1,-0.3 376,-0.3 2,-0.1 375,-0.1 -0.098 114.3 11.3 -50.6 149.0 76.6 20.8 83.3 20 39 A N T > S+ 0 0 96 374,-2.5 3,-1.3 373,-0.2 -1,-0.3 0.523 87.4 125.3 59.3 7.5 73.5 19.4 81.6 21 40 A T T < S+ 0 0 35 -3,-1.9 3,-0.3 1,-0.3 375,-0.2 0.883 78.2 40.3 -63.2 -37.8 71.4 22.4 82.8 22 41 A L T 3> S+ 0 0 0 373,-2.4 4,-0.7 -4,-0.3 -1,-0.3 0.130 79.9 122.9 -97.4 20.3 70.3 23.2 79.3 23 42 A F T <4 S+ 0 0 39 -3,-1.3 -1,-0.2 372,-0.4 4,-0.2 0.850 83.4 24.6 -50.3 -48.6 69.7 19.6 78.2 24 43 A H T >4 S+ 0 0 142 -3,-0.3 3,-0.6 -4,-0.2 -1,-0.2 0.648 95.9 94.5 -95.2 -15.9 66.0 19.8 77.2 25 44 A L T 34 S+ 0 0 19 1,-0.2 -2,-0.1 -4,-0.1 -1,-0.1 0.847 107.8 9.7 -42.7 -50.4 65.8 23.5 76.4 26 45 A W T 3< S+ 0 0 1 -4,-0.7 554,-0.7 -3,-0.1 555,-0.3 0.295 95.5 131.7-117.6 9.5 66.4 23.1 72.7 27 46 A R < - 0 0 31 -3,-0.6 2,-0.1 -4,-0.2 -3,-0.0 -0.441 49.6-133.6 -73.6 130.8 66.2 19.3 72.2 28 47 A P - 0 0 7 0, 0.0 551,-0.1 0, 0.0 -1,-0.1 -0.341 10.1-162.4 -76.0 160.8 64.1 17.8 69.4 29 48 A R S S+ 0 0 94 599,-0.1 601,-3.3 -2,-0.1 602,-0.4 0.551 86.7 45.5-118.1 -20.0 61.7 14.9 70.1 30 49 A A S S+ 0 0 4 599,-0.2 2,-0.3 600,-0.1 599,-0.1 0.228 97.2 91.2-110.7 15.1 61.1 13.6 66.5 31 50 A H S S- 0 0 2 373,-0.1 2,-0.7 547,-0.0 372,-0.1 -0.746 78.9-103.9-113.0 160.4 64.7 13.6 65.3 32 51 A I + 0 0 4 -2,-0.3 370,-2.3 370,-0.2 -2,-0.1 -0.688 60.4 126.7 -84.0 113.4 67.6 11.2 65.1 33 52 A L - 0 0 3 -2,-0.7 368,-0.1 368,-0.2 367,-0.1 -0.973 59.1 -89.1-159.0 156.0 70.3 11.9 67.8 34 53 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.181 44.7-102.3 -65.7 162.1 72.1 9.9 70.5 35 54 A A S S- 0 0 36 1,-0.1 2,-0.3 363,-0.0 46,-0.0 0.804 99.6 -24.9 -54.8 -29.0 70.7 9.7 74.0 36 55 A E S S+ 0 0 100 2,-0.1 362,-0.2 363,-0.1 -1,-0.1 -0.951 104.9 52.9-167.3 179.0 73.4 12.4 74.9 37 56 A G E S-a 398 0A 18 360,-2.3 362,-2.2 -2,-0.3 2,-0.3 -0.177 88.7 -39.3 76.7-171.8 76.8 13.6 73.7 38 57 A Q E -a 399 0A 36 360,-0.3 23,-1.9 -5,-0.1 2,-0.4 -0.633 43.9-153.6 -98.5 150.6 77.7 14.7 70.2 39 58 A I E +B 60 0B 1 360,-2.4 343,-0.3 -2,-0.3 21,-0.2 -0.974 14.4 179.8-121.2 134.7 76.7 13.3 66.8 40 59 A G E - 0 0 6 19,-3.0 340,-0.1 -2,-0.4 -1,-0.0 -0.008 49.2 -11.9-106.8-145.9 78.8 13.7 63.7 41 60 A D E - 0 0 27 17,-0.1 18,-2.8 1,-0.1 2,-0.4 -0.234 64.9-120.2 -58.3 141.0 78.3 12.5 60.1 42 61 A P E +B 58 0B 1 0, 0.0 16,-0.3 0, 0.0 2,-0.3 -0.674 50.9 146.0 -79.1 131.0 75.6 9.9 59.3 43 62 A C + 0 0 5 14,-1.0 14,-0.4 -2,-0.4 59,-0.2 -0.902 34.0 46.1-154.1 168.8 77.0 6.7 57.8 44 63 A A + 0 0 7 57,-2.4 58,-0.2 -2,-0.3 14,-0.1 0.703 58.8 166.4 66.0 31.0 76.7 3.0 57.5 45 64 A H + 0 0 4 309,-0.2 58,-0.7 56,-0.2 2,-0.3 -0.411 6.4 166.0 -76.2 140.7 72.9 2.7 56.9 46 65 A Y E -C 55 0B 2 9,-1.6 9,-2.9 56,-0.1 2,-0.9 -0.890 38.3-129.6-160.2 140.3 71.7 -0.8 55.6 47 66 A T E -C 54 0B 14 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.830 38.4-123.4 -94.2 102.6 68.4 -2.7 55.3 48 67 A D > - 0 0 14 5,-2.3 4,-3.2 -2,-0.9 5,-0.2 -0.246 14.4-151.5 -59.7 116.7 69.0 -6.0 57.0 49 68 A P T 4 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 57,-0.1 0.891 93.6 47.4 -51.1 -46.4 68.3 -8.7 54.4 50 69 A S T 4 S+ 0 0 110 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.923 127.6 20.3 -63.3 -52.1 67.3 -11.2 57.2 51 70 A T T 4 S- 0 0 67 2,-0.1 -1,-0.2 94,-0.1 3,-0.1 0.575 89.6-132.4 -98.6 -15.1 65.0 -9.0 59.3 52 71 A G < + 0 0 12 -4,-3.2 310,-2.3 1,-0.3 311,-0.8 0.460 59.9 140.1 74.6 -2.1 64.0 -6.3 56.8 53 72 A L - 0 0 52 -5,-0.2 -5,-2.3 309,-0.2 2,-0.6 -0.400 53.6-125.1 -72.7 152.7 64.8 -3.7 59.5 54 73 A F E -CD 47 70B 0 16,-2.5 16,-2.0 -7,-0.2 2,-0.4 -0.892 21.5-153.8-103.5 120.8 66.6 -0.5 58.5 55 74 A H E -CD 46 69B 10 -9,-2.9 -9,-1.6 -2,-0.6 2,-0.3 -0.785 6.5-160.9 -95.7 136.8 69.7 0.2 60.4 56 75 A V E - D 0 68B 2 12,-3.1 12,-1.7 -2,-0.4 2,-0.3 -0.887 8.8-170.5-115.2 146.0 70.9 3.8 60.8 57 76 A G E + D 0 67B 0 -14,-0.4 -14,-1.0 -2,-0.3 2,-0.3 -0.929 10.0 168.4-136.4 160.8 74.4 4.9 61.7 58 77 A F E -BD 42 66B 2 8,-1.7 8,-2.9 -2,-0.3 -17,-0.1 -0.941 41.1 -99.3-168.7 146.1 76.4 8.0 62.7 59 78 A L E - D 0 65B 22 -18,-2.8 -19,-3.0 -2,-0.3 2,-0.4 -0.478 44.0-162.1 -66.9 143.3 79.7 9.1 64.1 60 79 A H E > -B 39 0B 3 4,-2.6 3,-2.1 -21,-0.2 -21,-0.2 -0.987 59.0 -17.7-140.3 124.1 79.3 9.7 67.8 61 80 A D T 3 S- 0 0 80 -23,-1.9 -22,-0.1 -2,-0.4 4,-0.1 0.658 106.3 -81.8 57.6 20.9 81.6 11.7 70.2 62 81 A G T 3 S+ 0 0 64 2,-0.2 -1,-0.3 -24,-0.2 36,-0.1 0.797 117.5 103.3 59.9 20.2 84.4 11.4 67.6 63 82 A D S < S- 0 0 78 -3,-2.1 2,-0.2 1,-0.4 -2,-0.1 -0.061 89.6 -65.7-122.6 30.3 85.0 7.9 69.1 64 83 A G - 0 0 3 34,-0.4 -4,-2.6 24,-0.2 2,-0.4 -0.592 68.1 -43.1 120.3-178.5 83.4 5.7 66.4 65 84 A I E -DE 59 87B 1 22,-1.9 21,-3.8 -6,-0.2 22,-1.6 -0.804 46.6-169.1 -96.6 130.0 80.1 4.7 64.7 66 85 A A E -DE 58 85B 0 -8,-2.9 -8,-1.7 -2,-0.4 2,-0.3 -0.716 10.5-154.2-110.8 163.6 77.0 4.2 66.7 67 86 A G E +D 57 0B 0 17,-2.5 12,-1.6 -2,-0.3 13,-0.4 -0.835 19.9 179.3-139.1 175.3 73.7 2.7 65.5 68 87 A A E -DF 56 78B 1 -12,-1.7 -12,-3.1 -2,-0.3 2,-0.3 -0.952 18.3-139.1-163.9 163.9 70.0 2.4 65.8 69 88 A T E -DF 55 77B 27 8,-2.2 8,-1.6 -2,-0.3 2,-0.3 -0.938 10.1-168.9-135.3 156.8 67.2 0.5 64.0 70 89 A T E -D 54 0B 4 -16,-2.0 -16,-2.5 -2,-0.3 293,-0.2 -0.980 16.7-170.1-143.2 154.0 63.7 1.1 62.7 71 90 A A S S+ 0 0 44 4,-0.4 295,-0.3 -2,-0.3 5,-0.1 0.378 96.7 25.1-115.9 -16.3 60.9 -1.1 61.4 72 91 A N S S- 0 0 54 3,-0.5 4,-0.1 -18,-0.1 -2,-0.0 0.438 96.5-121.0-127.8 -7.4 58.6 1.8 60.3 73 92 A L S S+ 0 0 1 2,-0.4 3,-0.1 -19,-0.1 376,-0.1 0.409 100.3 80.7 75.2 1.9 60.9 4.8 59.7 74 93 A A S S+ 0 0 11 1,-0.2 2,-0.3 377,-0.0 -1,-0.1 0.817 93.3 32.6 -99.9 -40.3 58.9 6.7 62.3 75 94 A T - 0 0 43 556,-0.1 -3,-0.5 2,-0.0 -2,-0.4 -0.896 69.0-156.0-123.4 148.0 60.4 5.4 65.6 76 95 A Y - 0 0 3 554,-3.0 557,-0.5 -2,-0.3 2,-0.4 -0.847 6.6-156.7-125.8 161.2 64.0 4.2 66.4 77 96 A T E -F 69 0B 56 -8,-1.6 -8,-2.2 -2,-0.3 2,-0.1 -0.998 26.8-117.9-137.8 130.1 65.7 2.0 68.9 78 97 A D E -F 68 0B 45 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.391 17.4-133.9 -65.6 140.0 69.4 2.2 70.0 79 98 A T S S- 0 0 12 -12,-1.6 2,-0.3 5,-0.3 -1,-0.1 0.810 82.0 -19.3 -64.0 -33.5 71.4 -0.9 69.1 80 99 A S S S- 0 0 47 -13,-0.4 3,-0.2 4,-0.0 -1,-0.2 -0.974 70.9-101.4-164.1 167.6 72.9 -0.8 72.7 81 100 A D S > S+ 0 0 141 -2,-0.3 3,-1.8 1,-0.2 4,-0.4 -0.131 89.1 58.5 -84.5-169.5 73.4 1.4 75.7 82 101 A N T 3 S- 0 0 149 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.841 142.7 -32.0 53.7 38.7 76.6 3.2 76.8 83 102 A G T 3 S- 0 0 16 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.131 83.3-114.9 108.1 -22.1 76.8 5.1 73.4 84 103 A S < - 0 0 4 -3,-1.8 -17,-2.5 1,-0.2 -5,-0.3 0.845 52.2-177.2 58.5 36.2 75.2 2.3 71.3 85 104 A F E -E 66 0B 31 -4,-0.4 -19,-0.3 -3,-0.3 -1,-0.2 -0.395 28.6-174.6 -70.6 141.0 78.5 1.9 69.4 86 105 A L E S- 0 0 13 -21,-3.8 63,-2.9 1,-0.4 2,-0.3 0.782 75.5 -2.5 -99.5 -38.8 78.9 -0.4 66.5 87 106 A I E -E 65 0B 6 -22,-1.6 -22,-1.9 61,-0.2 -1,-0.4 -0.975 64.6-173.4-157.3 140.3 82.7 0.0 66.0 88 107 A Q - 0 0 72 -2,-0.3 3,-0.2 -24,-0.2 -24,-0.2 -0.925 30.7 -92.2-135.5 158.9 85.4 2.2 67.6 89 108 A P S S+ 0 0 31 0, 0.0 9,-0.1 0, 0.0 -1,-0.1 -0.086 80.6 87.5 -66.2 170.0 89.1 3.0 67.0 90 109 A G + 0 0 60 4,-3.2 2,-0.0 1,-0.3 6,-0.0 0.356 59.3 118.7 119.0 -1.9 92.0 1.2 68.5 91 110 A G S S- 0 0 23 3,-0.7 -1,-0.3 -3,-0.2 0, 0.0 -0.181 81.5 -98.5 -81.4-176.0 92.5 -1.7 66.0 92 111 A K S S+ 0 0 185 1,-0.2 -1,-0.1 2,-0.1 63,-0.1 0.813 125.1 42.0 -74.1 -30.6 95.6 -2.2 64.0 93 112 A N S S+ 0 0 25 1,-0.2 43,-0.2 61,-0.2 -1,-0.2 0.720 125.7 33.4 -87.3 -23.6 94.1 -0.5 61.0 94 113 A D + 0 0 0 24,-0.1 -4,-3.2 1,-0.1 -3,-0.7 -0.478 64.2 148.4-131.3 62.3 92.5 2.4 62.9 95 114 A P S S+ 0 0 69 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 0.801 82.9 32.4 -68.3 -25.0 94.7 3.2 65.9 96 115 A V S S- 0 0 63 23,-2.1 2,-0.3 1,-0.3 24,-0.2 0.895 124.6 -23.0 -97.9 -48.5 93.7 6.8 65.8 97 116 A A E -G 119 0C 11 22,-1.6 22,-3.0 -9,-0.1 2,-0.5 -0.990 41.6-125.4-160.7 168.2 90.1 7.0 64.6 98 117 A V E -G 118 0C 6 -2,-0.3 -34,-0.4 20,-0.2 20,-0.2 -0.985 32.8-174.2-120.9 113.8 87.1 5.5 62.7 99 118 A F E - 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