==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-SEP-11 3U14 . COMPND 2 MOLECULE: FRUCTOFURANOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHWANNIOMYCES OCCIDENTALIS; . AUTHOR M.A.SAINZ-POLO,J.SANZ-APARICIO . 1018 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 654 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 405 39.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 . 0 0.0 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 . 110 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 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 . 7 3 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 . 8 8 8 0 7 5 14 2 7 2 1 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 2 2 6 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 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 27 A L 0 0 195 0, 0.0 296,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -16.4 18.0 -20.1 -3.4 2 28 A S + 0 0 113 1,-0.0 2,-0.5 2,-0.0 295,-0.0 0.676 360.0 72.0 -94.0 -23.5 15.0 -22.5 -3.9 3 29 A V - 0 0 97 2,-0.0 2,-0.5 295,-0.0 -1,-0.0 -0.851 60.4-176.7 -95.5 124.6 12.9 -21.3 -1.0 4 30 A D + 0 0 98 -2,-0.5 3,-0.3 1,-0.1 292,-0.0 -0.967 12.3 179.8-124.8 117.5 11.3 -17.9 -1.5 5 31 A T >> + 0 0 14 292,-3.0 4,-2.7 -2,-0.5 3,-1.6 0.463 52.8 107.3 -92.2 -1.2 9.3 -16.5 1.4 6 32 A S H 3> + 0 0 21 291,-0.4 4,-1.8 1,-0.3 -1,-0.2 0.770 65.1 68.6 -50.4 -42.4 8.2 -13.3 -0.4 7 33 A E H 34 S+ 0 0 160 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.815 124.2 9.9 -45.6 -44.3 4.6 -14.3 -0.9 8 34 A Y H <4 S+ 0 0 34 -3,-1.6 -2,-0.2 469,-0.0 -1,-0.2 0.695 137.7 39.2-110.2 -24.7 3.9 -14.1 2.8 9 35 A N H < S+ 0 0 3 -4,-2.7 -3,-0.2 288,-0.1 -2,-0.2 0.571 84.8 93.7-105.1 -23.7 7.0 -12.4 4.3 10 36 A R S < S- 0 0 38 -4,-1.8 447,-0.1 -5,-0.3 6,-0.0 -0.756 72.9-122.9 -91.3 120.0 8.3 -9.7 1.9 11 37 A P - 0 0 7 0, 0.0 446,-0.1 0, 0.0 5,-0.1 -0.130 10.0-146.8 -53.3 150.9 7.1 -6.1 2.7 12 38 A L S S+ 0 0 35 351,-0.1 352,-0.0 1,-0.1 444,-0.0 0.835 92.7 18.2 -88.2 -36.6 5.3 -4.3 -0.1 13 39 A I S S+ 0 0 2 53,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.213 103.7 88.7-127.0 7.7 6.4 -0.7 0.5 14 40 A H S S- 0 0 5 442,-0.1 2,-0.2 291,-0.1 291,-0.1 -0.930 87.9-107.8-100.2 135.5 9.5 -1.1 2.8 15 41 A F + 0 0 9 -2,-0.5 288,-1.4 289,-0.3 -2,-0.1 -0.459 44.5 168.9 -68.2 134.2 12.7 -1.5 0.7 16 42 A T - 0 0 16 286,-0.2 286,-0.1 -2,-0.2 285,-0.1 -0.994 36.4-114.3-135.6 141.9 14.3 -4.9 0.4 17 43 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.448 28.9-120.1 -67.0 149.5 17.1 -6.1 -1.9 18 44 A E S S- 0 0 145 1,-0.2 2,-0.3 -2,-0.1 281,-0.0 0.930 92.4 -1.2 -55.6 -44.7 15.9 -8.8 -4.3 19 45 A K S S+ 0 0 105 2,-0.1 280,-0.3 278,-0.1 -1,-0.2 -0.977 106.2 27.0-144.5 158.4 18.5 -11.1 -2.8 20 46 A G E S-a 299 0A 3 278,-2.5 280,-1.9 -2,-0.3 2,-0.4 -0.409 86.5 -38.6 92.4-166.1 21.2 -11.2 -0.2 21 47 A W E -aB 300 44A 0 23,-2.5 23,-2.4 26,-0.8 2,-0.4 -0.800 44.2-174.1-107.3 137.1 21.8 -9.3 3.0 22 48 A M E + B 0 43A 0 278,-1.5 21,-0.2 -2,-0.4 2,-0.1 -0.988 12.7 155.2-123.9 137.9 21.2 -5.6 3.8 23 49 A N E + 0 0 8 19,-1.9 262,-0.1 -2,-0.4 244,-0.0 -0.111 53.1 21.2-122.3-122.7 22.0 -3.6 6.9 24 50 A A E S- 0 0 6 17,-0.2 18,-2.5 -2,-0.1 -1,-0.3 -0.054 71.2-122.1 -55.2 135.1 22.6 0.1 7.4 25 51 A P E - B 0 41A 1 0, 0.0 16,-0.3 0, 0.0 2,-0.3 -0.508 37.7-173.0 -71.0 146.5 21.1 2.6 4.9 26 52 A N E + B 0 40A 0 14,-3.1 14,-2.1 -2,-0.2 61,-0.3 -0.926 47.9 16.9-141.4 157.2 23.8 4.9 3.3 27 53 A G E - 0 0 0 59,-1.7 2,-0.3 -2,-0.3 60,-0.2 0.747 68.9-174.5 53.0 34.6 24.2 7.9 1.1 28 54 A L E + 0 0 0 58,-0.3 245,-2.5 243,-0.2 60,-0.4 -0.461 19.1 144.5 -65.0 119.1 20.6 9.1 1.4 29 55 A F E -cB 273 38A 0 9,-1.3 9,-3.4 -2,-0.3 2,-0.5 -0.992 46.0-126.3-152.9 157.3 20.0 12.0 -0.9 30 56 A Y E - B 0 37A 49 243,-1.8 2,-0.9 -2,-0.3 7,-0.2 -0.918 18.1-145.3-102.9 126.7 17.4 13.7 -3.1 31 57 A D E >> - B 0 36A 2 5,-3.2 4,-1.5 -2,-0.5 5,-1.3 -0.847 10.9-166.3 -89.8 106.9 18.4 14.4 -6.7 32 58 A K T 45S+ 0 0 62 -2,-0.9 -1,-0.2 74,-0.4 75,-0.1 0.791 85.1 47.0 -64.6 -33.0 16.5 17.7 -7.5 33 59 A T T 45S+ 0 0 63 73,-0.2 -1,-0.2 1,-0.2 74,-0.1 0.966 122.0 33.4 -72.6 -55.7 17.1 17.4 -11.3 34 60 A A T 45S- 0 0 47 2,-0.1 -2,-0.2 72,-0.1 -1,-0.2 0.669 100.8-134.4 -71.4 -15.3 16.1 13.8 -11.7 35 61 A K T <5 + 0 0 138 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.912 58.0 139.7 54.9 45.0 13.5 14.1 -8.9 36 62 A L E < -B 31 0A 34 -5,-1.3 -5,-3.2 27,-0.1 2,-0.5 -0.972 51.9-140.1-123.0 133.3 14.7 10.8 -7.4 37 63 A W E -BD 30 61A 37 24,-3.7 24,-1.9 -2,-0.4 2,-0.5 -0.774 25.3-147.2 -81.6 129.4 15.3 9.8 -3.8 38 64 A H E -BD 29 60A 0 -9,-3.4 -9,-1.3 -2,-0.5 2,-0.5 -0.890 16.3-175.9-105.2 130.0 18.4 7.7 -3.5 39 65 A L E + D 0 59A 0 20,-2.6 20,-2.7 -2,-0.5 2,-0.3 -0.989 3.9 177.2-121.1 121.0 18.9 4.9 -1.0 40 66 A Y E -BD 26 58A 0 -14,-2.1 -14,-3.1 -2,-0.5 2,-0.3 -0.786 11.1-173.5-110.5 166.3 22.2 3.1 -0.7 41 67 A F E -BD 25 57A 0 16,-1.1 16,-2.8 -16,-0.3 2,-0.3 -0.996 37.8 -90.0-159.8 148.4 22.8 0.3 1.8 42 68 A Q E - D 0 56A 4 -18,-2.5 -19,-1.9 -2,-0.3 2,-0.4 -0.514 60.5-173.7 -56.4 122.8 25.4 -2.0 3.4 43 69 A Y E -BD 22 55A 14 12,-2.5 12,-2.9 -2,-0.3 -21,-0.2 -0.989 33.8-175.7-140.1 126.9 25.0 -4.9 1.1 44 70 A N E > -B 21 0A 11 -23,-2.4 -23,-2.5 -2,-0.4 3,-0.8 -0.917 7.0-177.9-116.8 102.3 26.3 -8.5 0.8 45 71 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.653 75.0 65.2 -70.2 -15.2 25.0 -10.0 -2.5 46 72 A N T 3 S+ 0 0 121 7,-0.2 2,-0.3 5,-0.1 -26,-0.1 0.518 110.3 7.1 -92.8 -9.4 26.6 -13.4 -1.7 47 73 A A < - 0 0 46 -3,-0.8 -26,-0.8 2,-0.2 2,-0.3 -0.982 69.4-109.8-162.8 162.2 24.7 -14.5 1.4 48 74 A T S S+ 0 0 29 -2,-0.3 2,-0.3 -28,-0.2 248,-0.1 -0.180 98.2 70.8 -91.6 42.1 21.7 -13.7 3.6 49 75 A A S S- 0 0 31 -2,-0.3 -28,-0.3 -5,-0.2 -2,-0.2 -0.965 96.6 -84.2-148.4 156.7 24.2 -12.8 6.3 50 76 A W + 0 0 101 -2,-0.3 2,-0.3 -28,-0.1 -2,-0.1 -0.369 66.1 131.8 -59.9 142.9 26.7 -10.0 7.0 51 77 A G - 0 0 14 -30,-0.1 -5,-0.1 -4,-0.1 -4,-0.1 -0.901 43.5 -62.5 176.0 160.5 30.1 -10.6 5.4 52 78 A Q S S+ 0 0 66 -2,-0.3 2,-0.1 2,-0.1 30,-0.1 -0.812 98.3 58.3-106.1 147.8 32.9 -9.2 3.3 53 79 A P S S- 0 0 14 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 0.337 82.4-173.8 -62.8 135.4 33.4 -8.2 0.5 54 80 A L B -g 82 0B 0 27,-1.1 29,-2.6 -2,-0.1 2,-0.2 -0.932 2.5-175.2-113.7 136.9 30.7 -5.7 1.5 55 81 A Y E -D 43 0A 47 -12,-2.9 -12,-2.5 -2,-0.4 2,-0.7 -0.666 32.6-104.4-123.3 167.1 29.3 -3.2 -0.9 56 82 A W E -DE 42 74A 0 18,-2.1 17,-2.3 -2,-0.2 18,-0.9 -0.916 36.5-156.7 -89.5 112.0 26.9 -0.3 -1.3 57 83 A G E -D 41 0A 2 -16,-2.8 -16,-1.1 -2,-0.7 2,-0.3 -0.311 11.7-148.1 -69.2 171.0 23.7 -1.5 -2.9 58 84 A H E +D 40 0A 1 12,-0.5 12,-3.3 -18,-0.2 2,-0.3 -0.967 24.0 162.3-152.8 131.5 21.6 1.2 -4.6 59 85 A A E -DF 39 69A 0 -20,-2.7 -20,-2.6 -2,-0.3 2,-0.3 -0.956 18.2-150.4-140.8 159.3 17.9 1.8 -5.3 60 86 A T E -DF 38 68A 2 8,-2.1 8,-2.6 -2,-0.3 2,-0.3 -0.901 10.1-175.5-130.6 159.1 15.9 4.9 -6.3 61 87 A S E -D 37 0A 1 -24,-1.9 -24,-3.7 -2,-0.3 6,-0.1 -0.983 24.8-157.5-153.8 142.4 12.4 6.1 -5.8 62 88 A N S S+ 0 0 119 4,-0.4 5,-0.1 -2,-0.3 -1,-0.1 0.545 101.4 22.0 -91.6 -9.6 10.2 9.0 -6.9 63 89 A D S S- 0 0 21 3,-0.5 271,-0.1 -26,-0.1 -1,-0.1 0.343 101.7-110.9-141.3 5.2 7.9 8.7 -3.9 64 90 A L S S+ 0 0 7 2,-0.3 242,-0.5 1,-0.1 266,-0.1 0.627 108.4 63.6 66.6 14.4 9.7 6.9 -1.0 65 91 A V S S+ 0 0 3 1,-0.3 2,-0.6 240,-0.1 -1,-0.1 0.520 89.9 61.6-128.0 -31.0 7.5 3.8 -1.3 66 92 A H S S- 0 0 59 -51,-0.0 -3,-0.5 2,-0.0 -4,-0.4 -0.896 71.0-167.7 -99.5 123.2 8.2 2.4 -4.8 67 93 A W - 0 0 46 -2,-0.6 2,-0.6 -6,-0.1 -6,-0.2 -0.901 18.7-159.3-117.4 136.4 11.8 1.3 -5.3 68 94 A D E -F 60 0A 101 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.3 -0.962 21.9-141.7-108.2 119.8 13.9 0.4 -8.4 69 95 A E E -F 59 0A 69 -2,-0.6 -10,-0.3 -10,-0.2 2,-0.2 -0.602 22.9-171.6 -79.2 138.7 17.0 -1.6 -7.5 70 96 A H - 0 0 59 -12,-3.3 -12,-0.5 -2,-0.3 3,-0.1 -0.620 32.4 -65.7-119.1-179.9 20.2 -0.8 -9.5 71 97 A E S S- 0 0 167 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.341 70.9 -78.1 -61.0 147.1 23.7 -2.2 -10.0 72 98 A I - 0 0 63 1,-0.1 -15,-0.2 -15,-0.1 -1,-0.1 -0.198 42.4-157.4 -42.4 132.7 26.1 -2.1 -7.0 73 99 A A + 0 0 10 -17,-2.3 62,-0.5 1,-0.3 2,-0.3 0.842 68.8 16.1 -91.0 -40.8 27.4 1.5 -6.7 74 100 A I B -E 56 0A 7 -18,-0.9 -18,-2.1 60,-0.1 -1,-0.3 -0.999 64.7-175.1-139.5 140.0 30.7 1.0 -4.7 75 101 A G - 0 0 22 -2,-0.3 -20,-0.1 -20,-0.2 7,-0.1 -0.900 28.8-100.5-132.6 159.5 32.8 -2.0 -4.0 76 102 A P - 0 0 20 0, 0.0 7,-0.1 0, 0.0 41,-0.0 -0.386 25.9-122.3 -78.6 159.6 35.9 -2.9 -2.0 77 103 A E S S+ 0 0 152 -2,-0.1 2,-0.3 5,-0.1 -2,-0.0 0.790 94.8 16.8 -69.1 -29.8 39.4 -3.2 -3.5 78 104 A H S > S- 0 0 100 1,-0.0 3,-1.5 0, 0.0 -1,-0.1 -0.921 77.1-113.1-139.4 166.0 39.7 -6.8 -2.1 79 105 A D T 3 S+ 0 0 124 -2,-0.3 -27,-0.0 1,-0.3 -1,-0.0 0.652 115.8 68.4 -69.5 -18.7 37.5 -9.6 -0.7 80 106 A N T 3 S+ 0 0 107 -27,-0.1 -1,-0.3 -28,-0.0 2,-0.2 0.396 102.5 59.0 -69.4 -6.6 39.3 -8.9 2.5 81 107 A E < - 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