==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JAN-10 3LDR . 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) . 24050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 65.3 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 . 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 . 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 . 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 . 69 10.9 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 . 37 5.8 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 2 1 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 0 175 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.7 72.0 28.5 92.9 2 21 A Y - 0 0 84 2,-0.0 2,-0.4 3,-0.0 0, 0.0 -0.786 360.0-172.9 -94.8 108.6 70.6 29.0 89.4 3 22 A H - 0 0 140 -2,-0.8 2,-0.2 1,-0.1 18,-0.0 -0.863 41.6 -92.2-100.2 139.8 67.9 26.5 88.4 4 23 A L + 0 0 55 -2,-0.4 2,-0.5 17,-0.1 -1,-0.1 -0.216 49.5 172.0 -57.2 114.4 66.8 26.6 84.8 5 24 A D > - 0 0 52 -2,-0.2 3,-1.1 4,-0.1 -1,-0.1 -0.921 12.2-175.4-126.8 103.1 63.8 28.9 84.5 6 25 A T T 3 S+ 0 0 21 -2,-0.5 595,-2.1 1,-0.3 596,-0.4 0.030 80.1 65.9 -89.5 25.3 62.7 29.6 80.9 7 26 A T T 3 S+ 0 0 86 593,-0.2 -1,-0.3 594,-0.1 593,-0.1 0.402 98.8 66.2-114.7 -12.6 60.0 32.0 81.8 8 27 A A S < S- 0 0 31 -3,-1.1 -3,-0.1 1,-0.1 0, 0.0 -0.702 103.7 -77.9-108.5 160.6 62.7 34.3 83.1 9 28 A P - 0 0 94 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.182 55.6-104.7 -54.5 146.8 65.4 36.2 81.3 10 29 A P - 0 0 24 0, 0.0 -4,-0.0 0, 0.0 4,-0.0 -0.414 37.6 -99.7 -74.7 151.4 68.4 34.0 80.3 11 30 A P - 0 0 31 0, 0.0 3,-0.2 0, 0.0 531,-0.1 -0.272 33.4-116.7 -62.8 157.8 71.7 34.4 82.4 12 31 A T S S+ 0 0 109 1,-0.2 2,-0.7 -3,-0.1 530,-0.0 0.932 104.4 35.9 -66.0 -43.8 74.2 36.6 80.6 13 32 A N > - 0 0 70 1,-0.1 3,-1.6 530,-0.1 4,-0.3 -0.876 62.3-175.0-117.1 103.5 76.8 33.7 80.2 14 33 A L G > S+ 0 0 0 -2,-0.7 3,-1.3 1,-0.3 -1,-0.1 0.776 81.1 70.2 -62.5 -27.7 75.2 30.3 79.5 15 34 A S G 3 S+ 0 0 46 1,-0.3 -1,-0.3 375,-0.1 379,-0.1 0.527 88.7 63.3 -71.8 -2.8 78.7 28.7 79.7 16 35 A T G < S+ 0 0 97 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.646 82.6 103.3 -92.7 -17.2 78.8 29.4 83.5 17 36 A L S < S- 0 0 9 -3,-1.3 3,-0.1 -4,-0.3 -14,-0.1 -0.087 83.7 -86.8 -61.9 162.2 75.8 27.1 84.2 18 37 A P > - 0 0 78 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.323 58.1 -78.6 -69.8 154.7 76.2 23.6 85.6 19 38 A N T 3 S+ 0 0 110 1,-0.3 376,-0.3 2,-0.1 375,-0.1 -0.135 113.8 7.5 -52.1 147.2 76.8 20.6 83.3 20 39 A N T > S+ 0 0 87 374,-2.6 3,-1.3 373,-0.2 -1,-0.3 0.523 87.8 126.9 55.2 11.4 73.7 19.2 81.5 21 40 A T T < S+ 0 0 34 -3,-1.8 3,-0.3 1,-0.3 375,-0.2 0.823 77.2 41.8 -64.8 -31.8 71.6 22.1 82.7 22 41 A L T 3> S+ 0 0 0 373,-2.6 4,-0.7 -4,-0.3 -1,-0.3 0.177 79.9 121.7-100.5 16.8 70.5 23.0 79.2 23 42 A F T <4 S+ 0 0 38 -3,-1.3 4,-0.2 372,-0.5 -1,-0.2 0.833 83.4 24.5 -48.8 -48.6 70.0 19.3 78.1 24 43 A H T 4 S+ 0 0 145 -3,-0.3 -1,-0.2 -4,-0.2 3,-0.2 0.644 96.6 94.0 -95.4 -15.5 66.3 19.5 77.1 25 44 A L T 4 S+ 0 0 22 1,-0.2 -2,-0.1 -3,-0.2 -1,-0.1 0.843 108.5 8.3 -43.9 -51.2 66.0 23.2 76.3 26 45 A W S < S+ 0 0 1 -4,-0.7 554,-1.3 -3,-0.1 555,-0.2 0.365 96.6 128.7-115.4 2.4 66.6 22.9 72.6 27 46 A R - 0 0 30 -5,-0.2 2,-0.1 -3,-0.2 -3,-0.0 -0.364 51.6-132.8 -67.0 133.7 66.6 19.1 72.1 28 47 A P - 0 0 8 0, 0.0 551,-0.1 0, 0.0 -1,-0.1 -0.333 9.7-159.3 -80.1 166.6 64.3 17.6 69.4 29 48 A R S S+ 0 0 97 599,-0.1 601,-3.2 -2,-0.1 602,-0.4 0.565 86.4 45.9-120.3 -19.2 62.0 14.6 69.9 30 49 A A S S+ 0 0 3 599,-0.2 2,-0.2 600,-0.1 599,-0.1 0.255 96.5 88.2-111.5 15.4 61.4 13.3 66.4 31 50 A H S S- 0 0 2 547,-0.1 2,-0.6 373,-0.1 372,-0.1 -0.697 79.2-102.3-112.6 164.0 65.0 13.3 65.1 32 51 A I + 0 0 3 370,-0.3 370,-2.4 -2,-0.2 -2,-0.1 -0.729 59.4 128.0 -89.2 117.0 67.9 10.9 65.1 33 52 A L - 0 0 3 -2,-0.6 368,-0.1 368,-0.2 367,-0.1 -0.957 58.8 -89.3-161.4 153.9 70.6 11.7 67.6 34 53 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.096 45.1-100.9 -62.7 167.7 72.4 9.6 70.3 35 54 A A S S- 0 0 37 1,-0.1 2,-0.3 48,-0.1 43,-0.0 0.826 99.6 -22.6 -60.0 -30.0 71.1 9.5 73.9 36 55 A E S S+ 0 0 89 2,-0.1 362,-0.2 47,-0.1 -1,-0.1 -0.948 105.4 48.5-164.7 176.9 73.7 12.1 74.7 37 56 A G E S-a 398 0A 18 360,-2.4 362,-2.3 -2,-0.3 2,-0.3 -0.256 89.7 -35.2 78.3-166.4 77.0 13.5 73.6 38 57 A Q E -a 399 0A 36 360,-0.3 23,-1.9 -5,-0.1 2,-0.4 -0.698 44.2-152.8-103.0 148.6 77.9 14.5 70.1 39 58 A I E +B 60 0B 0 360,-2.5 343,-0.3 -2,-0.3 21,-0.2 -0.946 16.3 176.2-117.3 135.7 76.9 13.2 66.7 40 59 A G E - 0 0 6 19,-2.8 340,-0.1 -2,-0.4 -1,-0.0 -0.185 51.8 -9.6-112.8-151.0 79.0 13.5 63.6 41 60 A D E - 0 0 26 17,-0.2 18,-3.0 -2,-0.1 -1,-0.3 -0.121 69.0-124.8 -49.2 129.1 78.6 12.2 60.0 42 61 A P E +B 58 0B 0 0, 0.0 16,-0.4 0, 0.0 2,-0.3 -0.603 48.8 148.6 -76.3 141.7 75.8 9.6 59.6 43 62 A C + 0 0 4 14,-2.1 59,-0.2 23,-0.2 310,-0.1 -0.992 26.8 52.5-170.8 169.5 77.0 6.4 58.1 44 63 A A + 0 0 6 57,-1.6 2,-0.2 -2,-0.3 58,-0.2 0.855 61.0 166.8 64.2 43.9 76.9 2.6 57.6 45 64 A H + 0 0 5 309,-0.2 58,-0.6 11,-0.1 2,-0.3 -0.600 4.3 148.3 -85.6 156.7 73.2 2.4 56.8 46 65 A Y E -C 55 0B 2 9,-1.5 9,-3.2 -2,-0.2 2,-0.6 -0.935 48.0-113.0-176.0 152.9 71.9 -0.8 55.3 47 66 A T E -C 54 0B 15 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.867 38.3-125.8 -94.6 121.9 68.8 -3.0 55.1 48 67 A D > - 0 0 18 5,-3.0 4,-3.6 -2,-0.6 5,-0.3 -0.594 13.1-149.8 -72.2 116.5 69.6 -6.3 56.9 49 68 A P T 4 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 57,-0.1 0.910 94.0 47.5 -49.0 -50.8 68.8 -9.1 54.4 50 69 A S T 4 S+ 0 0 108 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.927 126.8 22.1 -59.3 -53.4 67.8 -11.5 57.1 51 70 A T T 4 S- 0 0 71 2,-0.1 -1,-0.2 94,-0.1 3,-0.1 0.680 88.2-133.7 -93.4 -21.6 65.5 -9.3 59.2 52 71 A G < + 0 0 10 -4,-3.6 310,-2.4 1,-0.3 311,-0.8 0.465 59.9 140.8 79.2 -1.7 64.4 -6.7 56.7 53 72 A L - 0 0 51 -5,-0.3 -5,-3.0 308,-0.2 2,-0.6 -0.415 52.9-126.9 -72.9 150.4 65.2 -4.1 59.4 54 73 A F E -CD 47 70B 0 16,-2.5 16,-2.3 -7,-0.2 2,-0.4 -0.896 21.5-154.4-102.5 122.1 66.9 -0.8 58.3 55 74 A H E -CD 46 69B 8 -9,-3.2 -9,-1.5 -2,-0.6 2,-0.4 -0.758 4.9-160.1 -96.4 140.9 70.0 0.0 60.3 56 75 A V E - D 0 68B 3 12,-3.3 12,-1.8 -2,-0.4 2,-0.3 -0.938 9.5-170.8-119.8 141.2 71.2 3.6 60.7 57 76 A G E + D 0 67B 0 -2,-0.4 -14,-2.1 10,-0.2 2,-0.3 -0.892 10.0 166.6-130.3 162.9 74.8 4.6 61.6 58 77 A F E -BD 42 66B 2 8,-1.7 8,-3.1 -16,-0.4 -17,-0.2 -0.922 41.4 -97.7-171.1 145.7 76.7 7.8 62.5 59 78 A L E - D 0 65B 23 -18,-3.0 -19,-2.8 -2,-0.3 2,-0.4 -0.421 42.9-159.5 -64.7 145.5 80.0 8.9 64.0 60 79 A H E > -B 39 0B 1 4,-2.6 3,-2.3 -21,-0.2 -21,-0.2 -0.979 59.8 -19.7-140.1 122.9 79.7 9.5 67.7 61 80 A D T 3 S- 0 0 82 -23,-1.9 -22,-0.1 -2,-0.4 -1,-0.1 0.692 108.4 -77.9 56.7 23.9 81.9 11.5 70.0 62 81 A G T 3 S+ 0 0 64 2,-0.2 -1,-0.3 -24,-0.2 36,-0.1 0.762 118.5 104.8 59.6 23.2 84.7 11.3 67.4 63 82 A D S < S- 0 0 68 -3,-2.3 2,-0.2 1,-0.4 -2,-0.1 -0.047 87.3 -68.1-126.2 32.8 85.2 7.8 68.8 64 83 A G - 0 0 1 34,-0.4 -4,-2.6 24,-0.2 2,-0.5 -0.668 68.7 -40.4 119.6-173.5 83.7 5.6 66.1 65 84 A I E -DE 59 87B 1 22,-2.0 21,-3.7 -6,-0.2 22,-1.4 -0.844 47.5-169.2-100.8 127.1 80.4 4.6 64.5 66 85 A A E -DE 58 85B 1 -8,-3.1 -8,-1.7 -2,-0.5 2,-0.3 -0.687 12.2-156.2-107.0 165.8 77.3 4.1 66.6 67 86 A G E +D 57 0B 1 17,-2.2 12,-1.7 -2,-0.2 13,-0.4 -0.901 21.2 179.6-144.4 171.9 74.1 2.5 65.4 68 87 A A E -DF 56 78B 2 -12,-1.8 -12,-3.3 -2,-0.3 2,-0.3 -0.958 19.0-137.7-161.0 162.0 70.3 2.1 65.7 69 88 A T E -DF 55 77B 28 8,-2.2 8,-1.9 -2,-0.3 2,-0.3 -0.907 10.4-166.0-129.5 157.4 67.7 0.2 63.9 70 89 A T E -D 54 0B 4 -16,-2.3 -16,-2.5 -2,-0.3 293,-0.2 -0.991 18.3-171.0-142.5 150.3 64.2 0.8 62.6 71 90 A A S S+ 0 0 45 4,-0.4 295,-0.2 -2,-0.3 5,-0.1 0.459 98.0 25.6-112.3 -12.9 61.3 -1.3 61.4 72 91 A N S S- 0 0 58 3,-0.6 4,-0.1 -18,-0.1 379,-0.1 0.528 93.8-124.6-128.0 -9.7 59.2 1.6 60.3 73 92 A L S S+ 0 0 0 2,-0.5 376,-0.1 -19,-0.1 3,-0.1 0.196 101.0 75.8 75.0 -8.8 61.6 4.6 59.5 74 93 A A S S+ 0 0 9 1,-0.2 2,-0.3 377,-0.1 554,-0.0 0.899 97.7 31.6 -91.1 -44.2 59.6 6.7 62.0 75 94 A T S S- 0 0 33 556,-0.1 -3,-0.6 2,-0.0 -2,-0.5 -0.829 71.3-157.1-120.7 149.9 60.8 5.3 65.3 76 95 A Y - 0 0 5 554,-2.8 557,-0.4 -2,-0.3 2,-0.4 -0.890 11.1-152.9-134.5 159.2 64.3 3.9 66.4 77 96 A T E -F 69 0B 53 -8,-1.9 -8,-2.2 -2,-0.3 2,-0.1 -0.999 28.1-118.9-133.5 129.3 66.0 1.6 68.9 78 97 A D E -F 68 0B 42 -2,-0.4 -10,-0.3 -10,-0.2 6,-0.1 -0.395 17.0-134.2 -65.1 141.8 69.7 2.0 69.9 79 98 A T S S- 0 0 13 -12,-1.7 2,-0.3 5,-0.3 -1,-0.1 0.793 79.9 -19.3 -68.6 -24.6 71.7 -1.1 69.1 80 99 A S - 0 0 46 -13,-0.4 3,-0.2 4,-0.1 -1,-0.2 -0.983 66.9 -98.5-167.7 175.0 73.2 -1.0 72.6 81 100 A D S > S+ 0 0 140 -2,-0.3 3,-1.3 1,-0.2 4,-0.3 -0.346 88.7 57.8 -91.7-178.5 73.9 1.0 75.8 82 101 A N T 3 S- 0 0 148 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.919 142.6 -36.1 60.6 43.4 77.2 2.8 76.7 83 102 A G T 3 S- 0 0 17 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.009 83.3-112.7 97.1 -22.5 77.1 4.8 73.6 84 103 A S < + 0 0 4 -3,-1.3 -17,-2.2 1,-0.2 -5,-0.3 0.846 53.1 179.9 63.5 34.5 75.7 2.1 71.4 85 104 A F E -E 66 0B 31 -3,-0.4 -19,-0.3 -4,-0.3 -1,-0.2 -0.397 26.9-171.7 -69.9 142.5 78.9 1.8 69.4 86 105 A L E S- 0 0 13 -21,-3.7 63,-2.4 1,-0.4 2,-0.3 0.796 75.3 -2.9 -98.9 -43.2 79.4 -0.6 66.5 87 106 A I E -E 65 0B 6 -22,-1.4 -22,-2.0 61,-0.2 -1,-0.4 -0.985 66.5-174.8-153.4 142.4 83.1 -0.2 65.9 88 107 A Q - 0 0 74 -2,-0.3 3,-0.2 -24,-0.2 -24,-0.2 -0.913 30.4 -87.4-136.3 164.4 85.8 2.1 67.4 89 108 A P S S+ 0 0 36 0, 0.0 9,-0.1 0, 0.0 -1,-0.1 -0.149 81.8 83.4 -69.6 169.9 89.5 2.9 66.9 90 109 A G + 0 0 60 4,-2.8 6,-0.0 1,-0.3 2,-0.0 0.359 59.8 120.3 118.2 -8.3 92.4 1.1 68.4 91 110 A G S S- 0 0 23 3,-0.6 -1,-0.3 -3,-0.2 0, 0.0 -0.168 81.0 -99.4 -75.5-175.7 92.8 -1.8 65.9 92 111 A K S S+ 0 0 186 1,-0.2 -1,-0.1 2,-0.1 63,-0.1 0.786 124.4 43.5 -76.7 -28.2 96.1 -2.2 63.9 93 112 A N S S+ 0 0 25 1,-0.2 43,-0.2 61,-0.1 -1,-0.2 0.729 124.9 32.5 -87.7 -25.2 94.5 -0.5 60.9 94 113 A D + 0 0 0 24,-0.1 -4,-2.8 1,-0.1 -3,-0.6 -0.435 65.6 149.8-130.1 59.7 92.8 2.3 62.8 95 114 A P S S+ 0 0 67 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 0.814 82.2 31.3 -60.3 -30.4 95.1 3.1 65.7 96 115 A V S S- 0 0 64 23,-2.1 2,-0.3 1,-0.3 24,-0.2 0.870 124.5 -17.6 -98.1 -43.8 94.0 6.8 65.7 97 116 A A E -G 119 0C 9 22,-1.6 22,-3.1 -9,-0.1 2,-0.5 -0.997 41.9-129.5-162.9 163.8 90.4 7.0 64.4 98 117 A V E -G 118 0C 6 -2,-0.3 -34,-0.4 20,-0.2 20,-0.2 -0.978 33.0-177.5-120.1 113.5 87.5 5.4 62.6 99 118 A F E - 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