==== 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 3VL9 . 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 . 443 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 46.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 8 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 . 37 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 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 2 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 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 PARALLEL BRIDGES PER LADDER . 4 4 0 6 2 0 0 4 1 1 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 2 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 3 A L 0 0 202 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.7 25.6 4.4 -7.2 2 4 A Q - 0 0 193 3,-0.0 2,-0.3 0, 0.0 3,-0.0 -0.949 360.0-179.3-107.5 134.8 21.8 5.1 -7.3 3 5 A R - 0 0 187 -2,-0.4 2,-0.1 0, 0.0 0, 0.0 -0.872 39.5 -79.6-128.5 158.9 20.6 8.0 -5.1 4 6 A R - 0 0 194 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.454 42.2-174.4 -50.1 128.0 17.5 9.8 -4.1 5 7 A S + 0 0 111 -2,-0.1 -1,-0.2 2,-0.1 32,-0.1 0.674 51.5 95.7-104.7 -28.0 16.7 12.1 -7.1 6 8 A D S S- 0 0 43 32,-0.1 2,-0.4 30,-0.1 32,-0.2 -0.374 74.9-126.8 -57.5 148.2 13.8 14.1 -5.7 7 9 A F B +A 37 0A 34 30,-2.8 30,-2.7 1,-0.1 -1,-0.1 -0.806 28.7 175.5-101.8 143.2 14.8 17.4 -4.1 8 10 A a + 0 0 27 -2,-0.4 27,-0.4 28,-0.2 -1,-0.1 0.436 33.9 119.9-127.4 -7.9 13.6 18.2 -0.6 9 11 A G S > S- 0 0 25 1,-0.1 3,-1.3 25,-0.1 16,-0.2 -0.290 71.1-113.3 -71.5 154.5 15.2 21.5 0.4 10 12 A Q T 3 S+ 0 0 62 1,-0.3 15,-2.8 14,-0.1 -1,-0.1 0.826 113.8 21.7 -53.4 -45.8 13.1 24.5 1.3 11 13 A W T 3 S+ 0 0 155 13,-0.2 -1,-0.3 12,-0.1 -2,-0.1 0.111 90.9 137.4-114.3 22.3 14.1 26.6 -1.7 12 14 A D < + 0 0 70 -3,-1.3 11,-2.8 10,-0.1 12,-0.5 -0.256 27.7 179.5 -68.9 153.9 15.2 23.9 -4.1 13 15 A T E -B 22 0A 43 9,-0.2 2,-0.3 10,-0.1 9,-0.2 -0.952 20.9-150.8-144.9 166.1 14.3 24.1 -7.7 14 16 A A E -B 21 0A 25 7,-1.8 7,-3.1 -2,-0.3 2,-0.5 -0.986 17.1-135.0-135.8 145.8 14.6 22.4 -11.1 15 17 A T E +B 20 0A 96 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.876 28.7 172.8 -96.6 132.8 14.6 23.9 -14.5 16 18 A A E > -B 19 0A 0 3,-3.0 3,-1.9 -2,-0.5 27,-0.2 -0.814 54.6 -65.4-146.5 97.7 12.4 21.9 -17.0 17 19 A G T 3 S- 0 0 36 -2,-0.3 -1,-0.2 1,-0.3 28,-0.2 -0.384 121.2 -6.4 58.3-129.5 11.7 23.3 -20.4 18 20 A D T 3 S+ 0 0 68 26,-2.4 53,-3.0 28,-0.2 2,-0.3 0.308 126.9 79.1 -76.5 5.7 9.6 26.5 -20.1 19 21 A F E < -BC 16 70A 0 -3,-1.9 -3,-3.0 51,-0.2 2,-0.5 -0.864 61.5-150.0-119.7 153.6 9.2 26.0 -16.4 20 22 A T E -BC 15 69A 21 49,-2.0 49,-3.0 -2,-0.3 2,-0.7 -0.988 21.7-149.7-106.7 131.2 10.9 26.3 -13.1 21 23 A L E -BC 14 68A 0 -7,-3.1 -7,-1.8 -2,-0.5 2,-0.4 -0.913 20.1-163.4-100.1 112.5 9.6 23.6 -10.6 22 24 A Y E -BC 13 67A 42 45,-2.6 45,-1.7 -2,-0.7 -9,-0.2 -0.835 26.1-160.0 -98.2 134.5 9.9 25.2 -7.2 23 25 A N + 0 0 0 -11,-2.8 42,-0.5 -2,-0.4 -1,-0.2 0.931 26.3 177.3 -70.6 -46.3 9.8 23.4 -3.9 24 26 A D + 0 0 36 -12,-0.5 41,-2.2 1,-0.2 2,-2.0 0.891 7.8 176.9 45.7 58.9 8.8 26.7 -2.2 25 27 A L > + 0 0 3 -15,-2.8 3,-1.6 39,-0.2 4,-0.2 -0.334 20.0 152.6 -86.2 56.6 8.4 25.2 1.3 26 28 A W T 3 + 0 0 127 -2,-2.0 3,-0.3 1,-0.3 38,-0.2 0.774 66.7 41.9 -67.0 -27.1 7.7 28.8 2.5 27 29 A G T > S+ 0 0 6 36,-1.4 3,-2.3 -3,-0.3 -1,-0.3 0.174 73.8 116.6-102.8 14.8 5.5 27.8 5.4 28 30 A E G X + 0 0 68 -3,-1.6 3,-1.7 35,-0.4 -1,-0.2 0.777 67.7 67.3 -59.7 -28.9 7.5 24.9 6.8 29 31 A S G 3 S+ 0 0 119 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.673 87.9 69.6 -66.0 -17.0 8.2 26.7 10.0 30 32 A A G < S- 0 0 37 -3,-2.3 -1,-0.3 32,-0.2 2,-0.3 0.515 113.6 -6.9 -76.3 -9.2 4.5 26.5 10.9 31 33 A G S < S- 0 0 22 -3,-1.7 2,-0.4 -4,-0.2 26,-0.2 -0.855 76.8 -77.4-159.1-158.8 4.7 22.8 11.4 32 34 A T E S+ D 0 56A 100 24,-2.7 24,-2.7 -2,-0.3 2,-0.3 -0.960 70.2 60.5-122.2 135.8 6.5 19.5 11.3 33 35 A G E - D 0 55A 44 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.989 60.0-105.1 146.3-157.9 7.2 17.3 8.2 34 36 A S E - D 0 54A 73 20,-1.9 20,-1.9 -2,-0.3 2,-0.3 -0.978 12.6-152.2-162.9 165.3 8.9 17.3 4.9 35 37 A Q E - D 0 53A 1 -27,-0.4 2,-0.3 -2,-0.3 18,-0.2 -0.944 6.7-169.9-156.4 127.1 8.3 17.5 1.2 36 38 A a E - D 0 52A 23 16,-2.2 16,-2.8 -2,-0.3 2,-0.3 -0.950 9.9-172.4-126.4 144.9 10.3 16.1 -1.8 37 39 A T E +AD 7 51A 0 -30,-2.7 -30,-2.8 -2,-0.3 2,-0.3 -0.921 5.9 179.1-141.1 147.2 9.7 16.9 -5.5 38 40 A G E - D 0 50A 7 12,-2.4 12,-2.3 -2,-0.3 2,-0.4 -0.995 28.2-119.6-154.2 150.4 10.8 15.8 -8.9 39 41 A V E - D 0 49A 47 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.729 20.1-176.6 -80.6 132.6 10.4 16.3 -12.6 40 42 A D E - 0 0 91 8,-2.7 2,-0.3 1,-0.4 9,-0.2 0.818 64.7 -26.1 -94.0 -40.8 9.2 13.3 -14.6 41 43 A S E - D 0 48A 68 7,-1.7 7,-2.7 -25,-0.0 -1,-0.4 -0.972 56.1-174.4-165.3 163.7 9.3 14.8 -18.1 42 44 A Y E + D 0 47A 133 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.973 10.3 177.8-162.6 155.4 9.1 18.0 -20.0 43 45 A S E > - D 0 46A 92 3,-2.4 3,-1.6 -2,-0.3 -27,-0.0 -0.744 65.2 -58.7-162.0 110.6 9.0 19.3 -23.5 44 46 A G T 3 S+ 0 0 37 1,-0.3 -26,-2.4 -2,-0.2 -1,-0.2 -0.263 126.7 2.5 53.8-119.0 8.7 23.0 -24.2 45 47 A D T 3 S+ 0 0 57 -28,-0.2 174,-1.3 -27,-0.1 2,-0.4 0.134 120.1 80.6 -86.6 18.5 5.4 24.3 -22.5 46 48 A T E < +DE 43 218A 43 -3,-1.6 -3,-2.4 172,-0.2 2,-0.3 -0.969 51.9 173.1-128.5 141.1 4.5 20.9 -21.0 47 49 A I E -DE 42 217A 1 170,-2.3 170,-1.4 -2,-0.4 2,-0.4 -0.983 18.1-159.1-140.8 150.9 5.8 19.3 -17.8 48 50 A A E +D 41 0A 9 -7,-2.7 -8,-2.7 -2,-0.3 -7,-1.7 -0.992 31.7 148.4-127.2 137.7 5.0 16.2 -15.7 49 51 A W E -DE 39 214A 0 165,-1.6 165,-3.0 -2,-0.4 2,-0.3 -0.933 27.4-147.1-158.9 171.8 6.1 16.2 -12.1 50 52 A H E -DE 38 213A 21 -12,-2.3 -12,-2.4 -2,-0.3 2,-0.3 -0.984 3.8-165.9-147.7 158.9 5.3 14.9 -8.6 51 53 A T E -DE 37 212A 0 161,-2.1 161,-2.8 -2,-0.3 2,-0.4 -0.993 4.6-164.2-144.9 144.5 5.6 15.9 -5.0 52 54 A S E +DE 36 211A 44 -16,-2.8 -16,-2.2 -2,-0.3 2,-0.3 -0.969 19.0 160.3-130.5 147.7 5.2 13.9 -1.8 53 55 A W E -DE 35 210A 7 157,-2.0 157,-2.6 -2,-0.4 2,-0.3 -0.994 31.5-158.2-160.8 155.5 4.8 15.3 1.6 54 56 A S E +D 34 0A 35 -20,-1.9 -20,-1.9 -2,-0.3 2,-0.4 -0.961 23.6 175.4-138.3 128.2 3.7 14.8 5.2 55 57 A W E +DE 33 207A 9 152,-2.4 152,-2.2 -2,-0.3 2,-0.3 -0.996 3.7 175.5-136.9 134.6 2.8 17.9 7.3 56 58 A S E +D 32 0A 63 -24,-2.7 -24,-2.7 -2,-0.4 -2,-0.0 -0.929 45.0 30.0-133.1 158.0 1.5 18.2 10.8 57 59 A G S S+ 0 0 35 -2,-0.3 4,-0.2 -26,-0.2 -27,-0.1 0.020 84.9 66.1 81.8 165.0 0.8 21.1 13.1 58 60 A G > - 0 0 32 1,-0.1 3,-2.6 2,-0.1 -28,-0.1 0.936 65.0-170.5 54.5 54.2 -0.2 24.7 12.3 59 61 A S T 3 S+ 0 0 88 1,-0.3 -1,-0.1 3,-0.0 147,-0.1 0.730 79.1 40.4 -58.6 -31.4 -3.5 23.4 10.9 60 62 A S T 3 S+ 0 0 105 145,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.355 99.7 93.2 -93.6 1.5 -4.7 26.6 9.4 61 63 A S S < S- 0 0 46 -3,-2.6 2,-0.2 -4,-0.2 -34,-0.0 -0.874 74.9-127.4-106.0 124.4 -1.2 27.5 8.0 62 64 A V - 0 0 16 -2,-0.5 143,-0.2 1,-0.1 -32,-0.2 -0.464 17.1-164.2 -62.3 135.9 -0.0 26.6 4.5 63 65 A K - 0 0 0 141,-2.9 -36,-1.4 1,-0.3 -35,-0.4 0.746 60.5 -19.4 -95.2 -25.2 3.3 24.8 4.6 64 66 A S - 0 0 0 140,-0.6 -1,-0.3 -38,-0.2 -39,-0.2 -0.978 40.7-138.9-169.3 169.3 4.4 25.1 1.0 65 67 A Y - 0 0 4 -41,-2.2 2,-0.3 -42,-0.5 138,-0.2 -0.568 22.3-171.8-144.5 72.8 3.4 25.8 -2.6 66 68 A V E + F 0 202A 0 136,-0.8 136,-1.9 -45,-0.1 2,-0.3 -0.565 28.8 158.9 -62.7 131.8 5.3 23.3 -4.8 67 69 A N E -CF 22 201A 0 -45,-1.7 -45,-2.6 -2,-0.3 2,-0.6 -0.999 50.5-119.5-158.5 152.4 4.5 24.5 -8.3 68 70 A A E -CF 21 200A 0 132,-2.5 132,-1.6 -2,-0.3 2,-0.5 -0.899 36.0-162.2 -96.4 118.6 5.5 24.7 -11.9 69 71 A A E -CF 20 199A 9 -49,-3.0 -49,-2.0 -2,-0.6 2,-0.3 -0.919 14.9-127.9-108.9 122.4 6.1 28.3 -12.9 70 72 A L E -C 19 0A 19 128,-2.4 2,-0.7 -2,-0.5 128,-0.4 -0.555 16.8-132.6 -69.2 135.7 6.1 29.5 -16.5 71 73 A T + 0 0 94 -53,-3.0 2,-0.3 -2,-0.3 126,-0.1 -0.808 52.2 132.0 -85.4 117.2 9.1 31.5 -17.6 72 74 A F - 0 0 45 -2,-0.7 126,-0.0 124,-0.2 3,-0.0 -0.979 60.5 -94.3-160.6 162.5 7.8 34.5 -19.5 73 75 A T - 0 0 89 -2,-0.3 122,-0.1 1,-0.1 222,-0.0 -0.736 52.8-100.6 -84.4 127.1 8.2 38.3 -19.7 74 76 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 122,-0.2 -0.254 49.5-170.3 -50.5 133.9 5.6 40.2 -17.5 75 77 A T E -G 195 0A 40 120,-1.4 120,-3.1 35,-0.1 2,-0.1 -0.983 24.5-110.2-135.1 137.9 2.9 41.4 -19.9 76 78 A Q E > -G 194 0A 55 -2,-0.3 3,-2.4 118,-0.3 4,-0.3 -0.387 29.0-121.8 -69.6 147.2 -0.0 43.7 -19.4 77 79 A L G > S+ 0 0 12 116,-2.5 3,-1.9 1,-0.3 115,-0.2 0.868 110.7 61.8 -58.8 -37.2 -3.4 42.1 -19.5 78 80 A N G 3 S+ 0 0 80 113,-2.1 -1,-0.3 1,-0.3 114,-0.1 0.489 101.4 54.3 -71.4 -0.7 -4.6 44.2 -22.4 79 81 A C G < S+ 0 0 82 -3,-2.4 2,-0.5 112,-0.2 -1,-0.3 0.380 92.0 89.0-103.7 -0.8 -1.8 42.7 -24.5 80 82 A I < + 0 0 13 -3,-1.9 3,-0.1 -4,-0.3 141,-0.0 -0.872 44.4 176.5-103.4 127.7 -2.9 39.1 -23.8 81 83 A S - 0 0 78 141,-2.2 2,-0.3 -2,-0.5 -1,-0.1 0.759 69.0 -11.5 -97.5 -31.3 -5.5 37.4 -26.0 82 84 A S - 0 0 20 140,-1.4 140,-2.9 2,-0.1 -1,-0.3 -0.966 41.1-155.7-163.8 156.4 -5.5 33.9 -24.4 83 85 A I - 0 0 0 -2,-0.3 93,-2.6 138,-0.2 138,-0.2 -0.704 25.2-163.5-133.1 78.1 -3.7 31.7 -21.9 84 86 A P E +H 175 0A 42 0, 0.0 136,-1.4 0, 0.0 2,-0.3 -0.420 15.7 174.0 -66.2 138.4 -4.5 28.2 -22.9 85 87 A T E -HI 174 219A 1 89,-2.3 89,-1.9 134,-0.2 2,-0.3 -0.989 20.5-169.0-145.4 150.1 -3.8 25.6 -20.2 86 88 A T E -HI 173 218A 31 132,-2.0 132,-2.6 -2,-0.3 2,-0.3 -0.987 9.2-180.0-134.2 143.1 -4.3 21.9 -19.5 87 89 A W E +HI 172 217A 0 85,-2.5 85,-2.2 -2,-0.3 2,-0.4 -0.943 7.6 177.8-147.9 123.8 -3.7 20.1 -16.2 88 90 A K E +HI 171 216A 97 128,-3.0 128,-1.5 -2,-0.3 127,-1.2 -0.996 23.5 147.0-125.7 127.1 -4.2 16.5 -15.3 89 91 A W E - I 0 214A 11 81,-2.3 2,-0.3 -2,-0.4 125,-0.2 -0.941 26.8-160.1-151.2 165.4 -3.3 15.4 -11.7 90 92 A S E - I 0 213A 51 123,-2.0 123,-2.9 -2,-0.3 2,-0.4 -0.982 10.6-146.1-152.0 150.0 -4.2 12.9 -8.9 91 93 A Y E - I 0 212A 37 -2,-0.3 2,-0.3 121,-0.2 121,-0.2 -0.961 12.2-179.3-118.0 139.6 -3.6 12.8 -5.2 92 94 A S E + I 0 211A 67 119,-2.1 119,-2.5 -2,-0.4 2,-0.2 -0.912 34.4 88.6-124.6 160.0 -3.0 10.0 -2.8 93 95 A G E - 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