==== 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 13-JAN-10 3LDK . COMPND 2 MOLECULE: FRUCTOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS JAPONICUS; . AUTHOR P.CHUANKHAYAN,C.J.CHEN,C.M.CHAING,C.Y.HSIEH,C.D.CHEN,Y.C.HSI . 634 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 62.3 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 . 215 33.9 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 . 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 . 63 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 3 3 3 6 4 4 1 1 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 0 182 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.2 72.6 28.8 93.3 2 21 A Y - 0 0 84 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.910 360.0-173.9-115.8 112.7 70.9 29.0 89.9 3 22 A H - 0 0 141 -2,-0.6 2,-0.1 1,-0.1 18,-0.0 -0.841 46.5 -91.5 -98.5 137.7 68.3 26.4 88.8 4 23 A L + 0 0 52 -2,-0.4 2,-0.5 17,-0.1 -1,-0.1 -0.268 45.9 177.8 -54.9 117.3 67.2 26.9 85.1 5 24 A D > - 0 0 53 -2,-0.1 3,-1.0 4,-0.1 -1,-0.1 -0.917 8.3-175.9-123.1 101.5 64.1 29.1 84.9 6 25 A T T 3 S+ 0 0 23 -2,-0.5 595,-1.7 1,-0.2 596,-0.4 0.113 80.5 64.0 -86.6 23.5 63.2 29.6 81.2 7 26 A T T 3 S+ 0 0 85 593,-0.2 -1,-0.2 594,-0.1 593,-0.1 0.430 100.6 65.2-113.4 -12.0 60.3 32.1 82.0 8 27 A A S < S- 0 0 32 -3,-1.0 -3,-0.1 1,-0.1 0, 0.0 -0.640 106.1 -76.7-106.6 164.1 63.0 34.5 83.4 9 28 A P - 0 0 96 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.360 55.1-112.6 -61.6 136.7 65.8 36.3 81.6 10 29 A P - 0 0 23 0, 0.0 -4,-0.0 0, 0.0 4,-0.0 -0.236 37.9 -90.8 -67.1 157.9 68.7 33.9 80.8 11 30 A P - 0 0 30 0, 0.0 3,-0.2 0, 0.0 531,-0.1 -0.321 30.9-121.4 -66.8 153.9 72.1 34.4 82.6 12 31 A T S S+ 0 0 111 1,-0.3 2,-0.6 -3,-0.1 0, 0.0 0.870 105.6 39.7 -63.9 -36.0 74.5 36.6 80.8 13 32 A N > + 0 0 74 1,-0.1 3,-1.2 530,-0.1 4,-0.3 -0.882 62.0 178.9-120.3 101.2 77.1 33.8 80.7 14 33 A L G > S+ 0 0 0 -2,-0.6 3,-1.5 1,-0.2 -1,-0.1 0.807 77.7 69.8 -68.5 -29.5 75.6 30.4 79.9 15 34 A S G 3 S+ 0 0 49 1,-0.3 -1,-0.2 375,-0.1 379,-0.1 0.520 90.1 62.0 -68.8 -4.4 79.0 28.7 80.0 16 35 A T G < S+ 0 0 96 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.636 82.1 103.6 -94.1 -16.6 79.2 29.3 83.8 17 36 A L S < S- 0 0 11 -3,-1.5 3,-0.1 -4,-0.3 2,-0.1 -0.147 84.2 -86.4 -62.3 160.4 76.2 27.1 84.5 18 37 A P > - 0 0 80 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.391 58.3 -77.4 -70.6 145.6 76.6 23.5 85.9 19 38 A N T 3 S+ 0 0 112 1,-0.3 376,-0.3 2,-0.1 375,-0.1 -0.010 114.2 6.8 -42.5 140.3 77.1 20.6 83.5 20 39 A N T > S+ 0 0 87 374,-2.3 3,-1.9 373,-0.2 -1,-0.3 0.447 85.5 128.0 63.1 4.3 74.0 19.3 81.7 21 40 A T T < S+ 0 0 39 -3,-2.2 3,-0.2 1,-0.3 375,-0.2 0.799 78.8 42.8 -58.6 -27.9 71.9 22.2 83.1 22 41 A L T 3> S+ 0 0 0 373,-3.1 4,-0.6 -4,-0.2 -1,-0.3 0.107 77.0 122.2-105.6 21.3 70.8 22.9 79.5 23 42 A F T <4 S+ 0 0 40 -3,-1.9 4,-0.2 372,-0.4 -1,-0.2 0.782 84.3 25.5 -54.6 -36.3 70.2 19.3 78.4 24 43 A H T 4 S+ 0 0 145 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.619 94.0 93.4-106.4 -14.5 66.5 19.7 77.3 25 44 A L T 4 S+ 0 0 23 1,-0.2 -2,-0.1 -3,-0.1 -1,-0.1 0.869 110.3 7.9 -46.0 -48.7 66.2 23.4 76.5 26 45 A W S < S+ 0 0 3 -4,-0.6 554,-2.2 553,-0.1 555,-0.2 0.506 94.9 129.5-114.4 -7.5 66.9 22.9 72.8 27 46 A R - 0 0 31 -5,-0.2 -3,-0.0 -4,-0.2 554,-0.0 -0.201 51.6-131.8 -57.1 131.6 66.9 19.1 72.4 28 47 A P - 0 0 9 0, 0.0 551,-0.1 0, 0.0 -1,-0.1 -0.263 9.9-158.4 -77.0 170.0 64.7 17.6 69.6 29 48 A R S S+ 0 0 97 599,-0.1 601,-2.9 600,-0.0 602,-0.4 0.571 86.6 41.9-123.4 -20.0 62.3 14.7 70.1 30 49 A A S S+ 0 0 5 599,-0.2 2,-0.3 600,-0.1 599,-0.1 0.152 96.6 95.2-116.5 19.4 61.7 13.2 66.7 31 50 A H S S- 0 0 1 547,-0.1 2,-0.6 373,-0.1 372,-0.1 -0.768 78.2-105.3-112.9 156.3 65.3 13.4 65.4 32 51 A I + 0 0 4 370,-0.3 370,-1.9 -2,-0.3 -2,-0.1 -0.692 61.1 126.0 -83.2 115.9 68.2 10.9 65.3 33 52 A L - 0 0 5 -2,-0.6 368,-0.1 368,-0.2 5,-0.1 -0.954 59.2 -89.4-161.2 154.6 70.9 11.6 67.9 34 53 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.105 44.2-100.3 -64.9 166.8 72.6 9.6 70.7 35 54 A A S S- 0 0 33 1,-0.1 2,-0.3 363,-0.0 599,-0.0 0.862 100.3 -22.1 -56.1 -35.3 71.3 9.4 74.2 36 55 A E S S+ 0 0 99 2,-0.1 362,-0.2 363,-0.0 -1,-0.1 -0.954 105.6 45.7-162.2 173.2 73.9 12.1 75.1 37 56 A G E S-a 398 0A 19 360,-2.5 362,-2.3 -2,-0.3 2,-0.3 -0.306 89.0 -32.4 82.2-165.0 77.2 13.5 73.9 38 57 A Q E -a 399 0A 38 360,-0.3 23,-2.0 -5,-0.1 2,-0.4 -0.703 43.1-154.4-103.6 147.6 78.2 14.4 70.4 39 58 A I E +B 60 0B 1 360,-2.5 343,-0.3 -2,-0.3 21,-0.3 -0.959 15.1 179.1-118.2 131.3 77.2 13.1 67.0 40 59 A G E - 0 0 6 19,-3.2 340,-0.2 -2,-0.4 -1,-0.0 0.082 51.6 -11.6-102.9-143.5 79.4 13.4 63.9 41 60 A D E - 0 0 24 17,-0.1 18,-3.2 338,-0.1 -1,-0.3 -0.257 65.1-128.8 -58.3 134.6 78.9 12.2 60.3 42 61 A P E +B 58 0B 0 0, 0.0 16,-0.3 0, 0.0 2,-0.3 -0.532 49.9 142.3 -79.0 154.0 76.1 9.7 59.8 43 62 A C + 0 0 6 14,-1.9 14,-0.4 -2,-0.2 59,-0.2 -0.971 29.1 54.8-176.3 169.6 77.4 6.7 57.9 44 63 A A + 0 0 9 57,-1.8 58,-0.1 -2,-0.3 2,-0.1 0.749 59.5 163.4 64.9 33.0 77.2 2.9 57.6 45 64 A H + 0 0 4 309,-0.2 58,-0.5 12,-0.1 2,-0.3 -0.486 5.5 158.5 -79.5 154.3 73.4 2.4 57.0 46 65 A Y E -C 55 0B 2 9,-1.4 9,-2.7 -2,-0.1 2,-0.6 -0.891 43.5-117.2-174.5 142.7 72.2 -0.9 55.6 47 66 A T E -C 54 0B 13 309,-0.3 7,-0.2 -2,-0.3 6,-0.1 -0.769 38.1-124.7 -86.3 121.6 69.0 -3.0 55.4 48 67 A D > - 0 0 18 5,-3.2 4,-3.2 -2,-0.6 5,-0.2 -0.596 15.6-150.6 -70.6 118.0 69.7 -6.2 57.2 49 68 A P T 4 S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 57,-0.1 0.861 92.7 47.5 -55.6 -42.0 68.9 -9.0 54.7 50 69 A S T 4 S+ 0 0 108 1,-0.1 -2,-0.0 -3,-0.1 -3,-0.0 0.921 127.6 21.8 -68.9 -47.1 67.9 -11.5 57.3 51 70 A T T 4 S- 0 0 68 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.604 88.3-133.8 -99.6 -16.3 65.7 -9.3 59.4 52 71 A G < + 0 0 11 -4,-3.2 310,-2.1 1,-0.3 311,-0.7 0.431 59.5 140.4 75.7 -5.2 64.7 -6.6 57.0 53 72 A L - 0 0 51 -5,-0.2 -5,-3.2 308,-0.2 2,-0.5 -0.398 52.3-127.4 -69.0 149.6 65.4 -4.1 59.7 54 73 A F E -CD 47 70B 2 16,-2.6 16,-2.2 -7,-0.2 2,-0.4 -0.889 20.6-151.5-103.2 127.1 67.1 -0.9 58.6 55 74 A H E -CD 46 69B 6 -9,-2.7 -9,-1.4 -2,-0.5 2,-0.4 -0.772 6.1-161.6 -99.8 141.4 70.3 0.1 60.5 56 75 A V E - D 0 68B 2 12,-3.3 12,-1.6 -2,-0.4 2,-0.3 -0.940 9.0-173.1-119.6 142.1 71.5 3.6 61.0 57 76 A G E + D 0 67B 0 -14,-0.4 -14,-1.9 -2,-0.4 2,-0.3 -0.896 7.9 168.9-130.5 163.2 75.1 4.5 61.9 58 77 A F E -BD 42 66B 1 8,-1.7 8,-2.9 -16,-0.3 -17,-0.1 -0.910 40.6 -97.5-170.6 144.2 76.8 7.7 62.8 59 78 A L E - D 0 65B 23 -18,-3.2 -19,-3.2 -2,-0.3 2,-0.4 -0.411 43.5-161.1 -64.3 143.6 80.2 8.9 64.2 60 79 A H E > -B 39 0B 3 4,-2.8 3,-2.3 -21,-0.3 -21,-0.2 -0.981 58.8 -19.0-139.7 123.9 79.9 9.5 68.0 61 80 A D T 3 S- 0 0 76 -23,-2.0 -22,-0.1 -2,-0.4 -1,-0.1 0.720 107.8 -78.5 55.3 26.0 82.2 11.5 70.3 62 81 A G T 3 S+ 0 0 65 2,-0.2 -1,-0.3 -24,-0.2 36,-0.1 0.765 117.5 107.3 57.1 22.5 84.9 11.3 67.7 63 82 A D S < S- 0 0 65 -3,-2.3 2,-0.2 1,-0.4 -2,-0.1 -0.020 86.9 -75.7-121.7 31.3 85.4 7.8 69.1 64 83 A G - 0 0 2 34,-0.3 -4,-2.8 24,-0.2 2,-0.4 -0.565 67.8 -35.8 111.9-175.5 84.0 5.6 66.3 65 84 A I E -DE 59 87B 1 22,-1.3 21,-4.1 -6,-0.2 22,-1.5 -0.760 48.3-172.3 -94.3 129.8 80.7 4.6 64.7 66 85 A A E -DE 58 85B 0 -8,-2.9 -8,-1.7 -2,-0.4 19,-0.3 -0.694 11.4-155.7-112.3 167.0 77.6 4.0 66.8 67 86 A G E -D 57 0B 0 17,-3.5 12,-1.5 -2,-0.2 13,-0.4 -0.843 21.4-178.8-142.3 178.5 74.3 2.5 65.7 68 87 A A E -DF 56 78B 1 -12,-1.6 -12,-3.3 10,-0.3 2,-0.3 -0.946 19.8-137.3-166.7 160.6 70.5 2.1 66.0 69 88 A T E -DF 55 77B 26 8,-2.3 8,-1.8 -2,-0.3 2,-0.3 -0.893 11.1-165.7-129.0 159.3 67.9 0.1 64.1 70 89 A T E -D 54 0B 5 -16,-2.2 -16,-2.6 -2,-0.3 293,-0.2 -0.990 18.0-170.1-144.0 151.6 64.4 0.8 62.9 71 90 A A S S+ 0 0 45 4,-0.4 295,-0.2 -2,-0.3 -1,-0.1 0.580 96.3 26.1-111.7 -19.8 61.5 -1.3 61.6 72 91 A N S S- 0 0 54 3,-0.4 4,-0.1 -18,-0.1 379,-0.0 0.485 94.6-123.8-121.2 -9.1 59.3 1.6 60.4 73 92 A L S S+ 0 0 1 2,-0.4 3,-0.1 -19,-0.1 379,-0.1 0.523 102.7 79.7 71.0 5.8 61.7 4.4 59.7 74 93 A A S S+ 0 0 12 1,-0.2 2,-0.2 377,-0.1 -1,-0.1 0.796 93.7 34.2-106.5 -43.6 59.6 6.4 62.2 75 94 A T - 0 0 43 556,-0.1 -3,-0.4 557,-0.0 -2,-0.4 -0.726 69.6-154.2-115.3 154.3 61.0 5.0 65.6 76 95 A Y - 0 0 3 554,-2.8 557,-0.4 -2,-0.2 2,-0.4 -0.914 10.1-159.4-133.2 158.6 64.5 3.9 66.6 77 96 A T E -F 69 0B 58 -8,-1.8 -8,-2.3 -2,-0.3 2,-0.1 -0.999 27.7-119.8-135.4 130.0 66.3 1.6 69.1 78 97 A D E -F 68 0B 42 -2,-0.4 -10,-0.3 -10,-0.2 6,-0.1 -0.402 17.7-133.4 -66.9 144.0 70.0 2.0 70.1 79 98 A T S S- 0 0 16 -12,-1.5 2,-0.3 5,-0.3 -1,-0.1 0.865 81.0 -14.6 -66.7 -33.2 72.0 -1.1 69.3 80 99 A S S S- 0 0 44 -13,-0.4 3,-0.2 -3,-0.0 -1,-0.1 -0.939 72.1 -96.3-161.5 172.7 73.5 -1.0 72.8 81 100 A D S > S+ 0 0 141 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.288 92.3 52.7 -88.3-178.6 74.1 1.0 75.9 82 101 A N T 3 S- 0 0 141 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.895 142.2 -33.0 57.2 47.1 77.2 3.0 76.6 83 102 A G T 3 S- 0 0 16 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.215 82.9-111.4 101.7 -24.6 77.1 4.9 73.5 84 103 A S < + 0 0 3 -3,-1.5 -17,-3.5 1,-0.2 -5,-0.3 0.792 55.3 179.4 62.8 30.9 75.7 2.1 71.2 85 104 A F E -E 66 0B 27 -3,-0.4 -19,-0.3 -4,-0.3 -1,-0.2 -0.322 28.3-172.3 -69.0 155.1 79.0 1.9 69.4 86 105 A L E S- 0 0 15 -21,-4.1 63,-2.9 1,-0.5 2,-0.3 0.713 73.7 -3.6-112.9 -32.7 79.6 -0.6 66.6 87 106 A I E -E 65 0B 8 -22,-1.5 -22,-1.3 61,-0.2 -1,-0.5 -0.957 64.6-172.6-161.9 145.0 83.3 -0.2 66.1 88 107 A Q - 0 0 75 -2,-0.3 3,-0.3 -24,-0.2 -24,-0.2 -0.942 31.2 -88.5-141.2 160.6 86.0 2.0 67.6 89 108 A P S S+ 0 0 32 0, 0.0 9,-0.1 0, 0.0 3,-0.1 -0.188 81.0 89.3 -67.9 163.8 89.7 2.9 67.1 90 109 A G + 0 0 62 4,-2.2 6,-0.0 1,-0.3 8,-0.0 0.224 59.3 118.1 131.1 -9.6 92.5 1.0 68.8 91 110 A G S S- 0 0 21 3,-0.5 -1,-0.3 -3,-0.3 0, 0.0 -0.057 80.8-101.9 -74.6-176.9 93.1 -1.7 66.2 92 111 A K S S+ 0 0 185 1,-0.2 -1,-0.1 2,-0.1 63,-0.1 0.751 124.6 41.7 -77.6 -25.4 96.3 -2.2 64.2 93 112 A N S S+ 0 0 29 1,-0.2 43,-0.2 61,-0.1 -1,-0.2 0.731 125.8 32.1 -91.9 -26.4 94.8 -0.5 61.2 94 113 A D + 0 0 0 24,-0.1 -4,-2.2 1,-0.1 -3,-0.5 -0.419 66.7 149.0-128.4 56.8 93.0 2.3 63.1 95 114 A P S S+ 0 0 67 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 0.809 81.3 30.8 -61.9 -28.6 95.2 3.1 66.1 96 115 A V S S- 0 0 66 23,-2.1 2,-0.3 1,-0.3 24,-0.2 0.857 125.6 -17.0 -99.7 -41.4 94.3 6.8 66.1 97 116 A A E -G 119 0C 9 22,-1.5 22,-2.8 -9,-0.1 2,-0.5 -0.994 43.8-129.3-161.9 165.7 90.7 7.0 64.8 98 117 A V E -G 118 0C 5 -2,-0.3 -34,-0.3 20,-0.2 20,-0.2 -0.958 33.5-174.1-122.6 108.7 87.8 5.4 62.9 99 118 A F E - 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