==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-11 3VL8 . COMPND 2 MOLECULE: XYLOGLUCAN-SPECIFIC ENDO-BETA-1,4-GLUCANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR T.YOSHIZAWA,T.SHIMIZU,H.HIRANO,M.SATO,H.HASHIMOTO . 221 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 46.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 0 0 1 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 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 2 0 3 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 1 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 4 A Q 0 0 169 0, 0.0 2,-0.3 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 132.9 40.6 -13.5 -3.5 2 5 A R > - 0 0 143 1,-0.1 3,-1.6 4,-0.0 34,-0.1 -0.819 360.0-130.3-103.0 146.8 43.4 -14.5 -1.1 3 6 A R T 3 S+ 0 0 254 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.729 112.4 59.7 -64.2 -21.5 47.1 -14.0 -1.8 4 7 A S T 3 S+ 0 0 99 2,-0.1 -1,-0.3 33,-0.0 34,-0.2 0.563 87.3 101.2 -80.2 -12.2 47.5 -17.6 -0.9 5 8 A D < - 0 0 17 -3,-1.6 2,-0.4 32,-0.1 32,-0.2 -0.345 69.1-134.1 -70.0 154.6 45.2 -18.7 -3.7 6 9 A F B +A 36 0A 31 30,-3.0 30,-2.4 1,-0.1 -2,-0.1 -0.949 24.4 174.1-109.6 134.3 46.5 -20.1 -7.0 7 10 A a + 0 0 48 -2,-0.4 27,-0.4 28,-0.2 -1,-0.1 0.330 34.5 121.6-121.8 1.1 44.9 -18.6 -10.2 8 11 A G S > S- 0 0 26 1,-0.1 3,-1.0 25,-0.1 16,-0.2 -0.332 71.4-113.3 -71.8 154.7 46.9 -20.2 -13.0 9 12 A Q T 3 S+ 0 0 55 1,-0.3 15,-2.6 14,-0.1 -1,-0.1 0.840 112.4 19.2 -57.3 -41.0 45.2 -22.3 -15.7 10 13 A W T 3 S+ 0 0 160 13,-0.2 -1,-0.3 12,-0.2 -2,-0.0 0.086 90.5 141.7-120.3 20.5 46.8 -25.6 -14.8 11 14 A D < - 0 0 68 -3,-1.0 11,-2.5 10,-0.1 12,-0.4 -0.255 28.1-169.8 -62.9 150.4 47.9 -24.8 -11.2 12 15 A T E -B 21 0A 77 9,-0.2 2,-0.3 10,-0.1 9,-0.2 -0.931 16.0-163.4-136.2 161.8 47.6 -27.5 -8.5 13 16 A A E -B 20 0A 25 7,-1.7 7,-3.1 -2,-0.3 2,-0.4 -0.952 15.7-139.1-136.6 160.9 47.9 -28.1 -4.8 14 17 A T E +B 19 0A 107 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.951 21.3 169.0-123.0 138.8 48.3 -31.3 -2.8 15 18 A A E > -B 18 0A 13 3,-2.2 3,-2.4 -2,-0.4 2,-0.2 -0.868 65.7 -51.0-149.7 113.5 46.6 -32.4 0.5 16 19 A G T 3 S- 0 0 43 -2,-0.3 28,-0.1 1,-0.3 -1,-0.1 -0.407 123.7 -18.6 58.5-123.9 46.9 -36.0 1.8 17 20 A D T 3 S+ 0 0 106 -2,-0.2 53,-3.1 -3,-0.1 2,-0.3 0.160 121.0 98.8 -97.8 17.8 45.8 -38.2 -1.1 18 21 A F E < -BC 15 69A 4 -3,-2.4 -3,-2.2 51,-0.2 2,-0.4 -0.815 54.2-161.1-104.6 144.9 44.1 -35.3 -2.9 19 22 A T E -BC 14 68A 24 49,-2.1 49,-3.3 -2,-0.3 2,-0.7 -0.996 12.6-151.2-113.7 128.6 45.2 -33.1 -5.7 20 23 A L E -BC 13 67A 3 -7,-3.1 -7,-1.7 -2,-0.4 2,-0.4 -0.915 18.4-164.5 -99.9 109.6 43.3 -29.9 -6.1 21 24 A Y E -BC 12 66A 93 45,-2.6 45,-1.7 -2,-0.7 -9,-0.2 -0.783 22.8-159.5 -97.5 139.2 43.4 -28.9 -9.8 22 25 A N + 0 0 0 -11,-2.5 42,-0.5 -2,-0.4 -12,-0.2 0.933 24.3 174.9 -77.1 -50.6 42.5 -25.5 -11.1 23 26 A D + 0 0 44 -12,-0.4 2,-2.0 1,-0.2 41,-2.0 0.893 5.9 176.7 49.7 53.0 41.9 -26.9 -14.6 24 27 A L > + 0 0 1 -15,-2.6 3,-1.5 39,-0.2 -1,-0.2 -0.376 19.6 152.2 -82.4 59.8 40.6 -23.6 -16.1 25 28 A W T 3 + 0 0 124 -2,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.790 65.6 48.7 -68.7 -30.1 40.4 -25.5 -19.4 26 29 A G T > S+ 0 0 5 36,-1.2 3,-2.1 -3,-0.3 -1,-0.3 0.167 73.3 122.6 -97.2 15.3 37.6 -23.3 -20.9 27 30 A E G X + 0 0 66 -3,-1.5 3,-1.6 35,-0.3 -1,-0.2 0.844 69.3 56.4 -33.2 -54.6 39.4 -20.0 -20.0 28 31 A S G 3 S+ 0 0 121 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.608 91.1 72.1 -67.8 -14.7 39.4 -18.8 -23.6 29 32 A A G < S+ 0 0 39 -3,-2.1 -1,-0.3 32,-0.2 2,-0.2 0.502 109.5 8.2 -78.8 -4.5 35.6 -19.2 -24.0 30 33 A G S < S- 0 0 23 -3,-1.6 2,-0.4 -4,-0.2 26,-0.2 -0.849 77.3 -89.4-155.7-169.8 34.9 -16.1 -21.7 31 34 A T E S+ D 0 55A 102 24,-3.0 24,-2.1 -2,-0.2 2,-0.3 -0.973 74.3 49.7-119.1 129.9 36.2 -13.1 -19.7 32 35 A G E - D 0 54A 47 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.994 65.3-100.9 148.8-152.0 37.2 -13.3 -16.1 33 36 A S E - D 0 53A 64 20,-1.6 20,-1.6 -2,-0.3 2,-0.3 -0.974 12.9-146.4-164.4 168.6 39.4 -15.3 -13.7 34 37 A Q E - D 0 52A 0 -27,-0.4 2,-0.3 -2,-0.3 18,-0.2 -0.961 9.1-171.4-154.5 129.3 39.4 -18.0 -11.0 35 38 A a E - D 0 51A 3 16,-2.3 16,-2.7 -2,-0.3 2,-0.3 -0.944 8.1-169.0-127.7 144.7 41.5 -18.5 -7.9 36 39 A T E +AD 6 50A 0 -30,-2.4 -30,-3.0 -2,-0.3 2,-0.3 -0.931 6.5 175.7-139.9 150.0 41.6 -21.5 -5.6 37 40 A G E - D 0 49A 4 12,-2.4 12,-2.4 -2,-0.3 2,-0.4 -0.988 29.1-123.3-158.1 146.1 43.0 -22.5 -2.2 38 41 A V E - D 0 48A 53 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.733 21.2-175.4 -85.0 138.7 43.1 -25.3 0.4 39 42 A D E - 0 0 86 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.794 60.8 -16.4-103.8 -40.6 41.9 -24.2 3.8 40 43 A S E - D 0 47A 61 7,-1.7 7,-2.5 2,-0.0 -1,-0.4 -0.989 41.3-155.8-160.1 157.0 42.6 -27.3 5.9 41 44 A Y E + D 0 46A 85 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.922 24.5 167.8-137.3 114.8 43.3 -31.0 5.9 42 45 A S E > - D 0 45A 88 3,-2.4 3,-2.6 -2,-0.3 2,-0.6 -0.995 63.8 -34.9-133.0 125.1 42.4 -33.0 9.0 43 46 A G T 3 S- 0 0 65 -2,-0.4 -2,-0.0 1,-0.3 3,-0.0 -0.548 126.6 -32.3 64.8-110.1 42.3 -36.8 9.2 44 47 A D T 3 S+ 0 0 125 -2,-0.6 2,-0.5 -28,-0.1 174,-0.4 0.129 117.1 106.6-119.8 16.1 41.2 -37.7 5.7 45 48 A T E < -D 42 0A 43 -3,-2.6 -3,-2.4 172,-0.1 2,-0.3 -0.849 49.8-162.6-106.4 128.9 39.0 -34.6 5.2 46 49 A I E -DE 41 216A 1 170,-2.6 170,-1.2 -2,-0.5 2,-0.4 -0.823 2.7-165.0-104.9 144.5 39.9 -31.6 3.0 47 50 A A E +D 40 0A 10 -7,-2.5 -8,-3.2 -2,-0.3 -7,-1.7 -0.996 25.4 148.2-124.5 135.8 38.3 -28.1 3.1 48 51 A W E -DE 38 213A 0 165,-1.9 165,-3.1 -2,-0.4 2,-0.3 -0.942 26.1-149.1-157.8 172.9 38.9 -25.7 0.2 49 52 A H E -DE 37 212A 7 -12,-2.4 -12,-2.4 -2,-0.3 2,-0.3 -0.981 3.6-162.4-148.6 158.3 37.5 -22.9 -1.9 50 53 A T E -DE 36 211A 0 161,-1.9 161,-2.7 -2,-0.3 2,-0.4 -0.967 9.3-164.0-145.2 131.4 37.4 -21.4 -5.3 51 54 A S E +DE 35 210A 22 -16,-2.7 -16,-2.3 -2,-0.3 2,-0.3 -0.886 20.0 156.8-113.6 145.9 36.3 -17.9 -6.3 52 55 A W E -DE 34 209A 7 157,-2.1 157,-2.5 -2,-0.4 2,-0.3 -0.995 33.5-155.4-161.9 156.4 35.5 -16.7 -9.8 53 56 A S E +D 33 0A 46 -20,-1.6 -20,-1.6 -2,-0.3 2,-0.4 -0.975 24.9 176.0-132.6 129.3 33.8 -14.3 -12.1 54 57 A W E +DE 32 206A 6 152,-2.2 152,-2.7 -2,-0.3 2,-0.3 -0.999 4.9 174.3-136.2 132.3 33.0 -15.5 -15.7 55 58 A S E +D 31 0A 67 -24,-2.1 -24,-3.0 -2,-0.4 150,-0.1 -0.969 46.1 30.1-134.9 153.5 31.2 -13.8 -18.5 56 59 A G S S+ 0 0 39 -2,-0.3 4,-0.1 -26,-0.2 -27,-0.1 0.020 84.4 68.0 83.9 163.8 30.6 -14.7 -22.2 57 60 A G > - 0 0 31 1,-0.1 3,-2.4 -27,-0.1 -28,-0.1 0.956 63.4-171.2 53.6 58.1 30.3 -18.2 -23.7 58 61 A S T 3 S+ 0 0 87 1,-0.3 147,-0.1 3,-0.0 -1,-0.1 0.759 80.3 38.7 -55.3 -36.0 27.0 -18.8 -21.9 59 62 A S T 3 S+ 0 0 112 145,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.286 100.3 96.1 -96.2 8.0 26.8 -22.5 -22.8 60 63 A S S < S- 0 0 53 -3,-2.4 2,-0.2 -31,-0.1 -34,-0.0 -0.892 73.1-129.7-110.2 121.9 30.6 -23.1 -22.4 61 64 A V - 0 0 18 -2,-0.5 143,-0.2 1,-0.1 -32,-0.2 -0.464 15.9-163.8 -62.8 132.8 32.2 -24.5 -19.2 62 65 A K - 0 0 0 141,-2.8 -36,-1.2 1,-0.3 -35,-0.3 0.733 61.5 -21.0 -92.6 -26.5 35.1 -22.3 -18.2 63 66 A S - 0 0 0 140,-0.6 -1,-0.3 -38,-0.2 -39,-0.2 -0.978 41.6-135.4-166.9 167.8 36.8 -24.7 -15.7 64 67 A Y - 0 0 5 -41,-2.0 2,-0.4 -42,-0.5 138,-0.2 -0.588 23.7-174.0-137.5 78.7 36.5 -27.7 -13.5 65 68 A V E + F 0 201A 0 136,-0.8 136,-2.0 -2,-0.1 2,-0.3 -0.608 27.8 159.1 -68.6 124.0 38.3 -26.8 -10.2 66 69 A N E -CF 21 200A 0 -45,-1.7 -45,-2.6 -2,-0.4 2,-0.6 -0.996 49.2-122.9-153.1 151.0 38.2 -30.1 -8.4 67 70 A A E -CF 20 199A 0 132,-2.5 132,-1.7 -2,-0.3 2,-0.4 -0.898 35.9-162.6 -93.9 121.7 39.7 -32.3 -5.6 68 71 A A E -CF 19 198A 9 -49,-3.3 -49,-2.1 -2,-0.6 2,-0.3 -0.917 12.7-129.6-113.4 132.1 40.9 -35.6 -7.2 69 72 A L E -C 18 0A 24 128,-2.5 2,-0.6 -2,-0.4 128,-0.4 -0.609 12.5-138.2 -80.6 132.7 41.6 -38.7 -5.2 70 73 A T + 0 0 90 -53,-3.1 2,-0.3 -2,-0.3 126,-0.1 -0.831 47.7 135.8 -85.6 121.4 44.9 -40.5 -5.8 71 74 A F - 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