==== 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 01-JUL-09 3I4I . COMPND 2 MOLECULE: 1,3-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED MURINE LARGE BOWEL BACTERIU . AUTHOR Y.NAKATANI,T.D.NALDER,G.W.TANNOCK,J.F.CUTFIELD,R.W.JACK,A.CA . 429 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 42.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 . 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 . 46 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 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 0 PARALLEL BRIDGES PER LADDER . 6 2 4 7 6 1 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 2 2 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 2 A V 0 0 183 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.2 -8.9 -2.5 27.3 2 3 A F + 0 0 94 69,-0.0 2,-0.3 71,-0.0 69,-0.1 -0.700 360.0 165.6 -96.0 133.5 -7.9 -2.2 23.6 3 4 A T - 0 0 104 -2,-0.4 209,-0.0 1,-0.1 0, 0.0 -0.846 46.7 -61.5-136.9 162.5 -10.5 -2.9 21.0 4 5 A H - 0 0 108 -2,-0.3 2,-0.4 210,-0.1 209,-0.2 -0.174 50.8-164.1 -44.6 138.8 -10.9 -2.4 17.3 5 6 A F E +A 212 0A 26 207,-2.3 207,-2.3 -3,-0.1 2,-0.4 -0.999 11.0 175.3-130.9 133.3 -10.9 1.3 16.3 6 7 A G E -A 211 0A 42 -2,-0.4 2,-0.3 205,-0.2 205,-0.2 -0.991 4.2-179.9-139.7 139.4 -12.1 2.7 13.0 7 8 A E E +A 210 0A 28 203,-1.8 203,-1.9 -2,-0.4 -2,-0.0 -0.966 12.5 178.3-144.2 127.0 -12.3 6.3 11.8 8 9 A G - 0 0 28 -2,-0.3 -1,-0.1 201,-0.2 37,-0.0 0.436 43.1-123.4-108.0 -4.1 -13.6 7.5 8.5 9 10 A F + 0 0 0 2,-0.2 34,-0.3 35,-0.1 35,-0.1 0.856 68.1 132.5 66.2 35.8 -13.3 11.3 9.0 10 11 A D S S+ 0 0 129 1,-0.3 2,-0.3 33,-0.2 33,-0.2 0.854 74.3 4.5 -81.9 -36.2 -17.0 11.9 8.2 11 12 A Y S S- 0 0 67 32,-0.1 2,-0.8 30,-0.1 -1,-0.3 -0.995 75.9-109.5-151.5 144.6 -17.7 14.1 11.2 12 13 A Y - 0 0 90 -2,-0.3 2,-0.7 -3,-0.1 28,-0.0 -0.732 31.2-172.5 -83.4 115.7 -15.7 15.6 14.1 13 14 A D >> - 0 0 74 -2,-0.8 3,-2.8 1,-0.1 4,-2.3 -0.880 13.4-157.8-109.1 106.7 -16.7 13.9 17.3 14 15 A S T 34 S+ 0 0 70 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.620 90.3 61.6 -63.5 -16.2 -15.1 15.7 20.3 15 16 A Q T 34 S+ 0 0 160 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.568 116.9 28.7 -78.7 -12.5 -15.4 12.6 22.5 16 17 A L T <4 S+ 0 0 67 -3,-2.8 52,-2.7 1,-0.3 53,-0.5 0.691 123.9 34.0-120.6 -34.8 -13.1 10.6 20.2 17 18 A W E < -H 67 0B 0 -4,-2.3 2,-0.4 50,-0.3 -1,-0.3 -0.863 59.3-150.3-126.3 162.1 -10.8 13.2 18.6 18 19 A E E -H 66 0B 35 48,-2.7 48,-2.4 -2,-0.3 2,-0.7 -0.995 11.3-144.2-137.8 123.6 -9.1 16.4 19.5 19 20 A K E -H 65 0B 60 -2,-0.4 46,-0.2 46,-0.2 16,-0.2 -0.826 30.2-126.7 -85.2 117.1 -8.2 19.3 17.1 20 21 A A + 0 0 0 44,-2.8 44,-0.3 -2,-0.7 2,-0.3 -0.478 37.4 179.4 -67.6 140.6 -4.9 20.6 18.5 21 22 A D - 0 0 86 13,-0.2 13,-0.2 -2,-0.1 3,-0.1 -0.916 47.0 -2.4-155.6 110.9 -5.2 24.4 19.0 22 23 A G S S+ 0 0 48 11,-3.0 2,-0.3 -2,-0.3 12,-0.1 0.689 101.4 82.3 83.1 23.2 -3.0 27.2 20.2 23 24 A W - 0 0 93 10,-0.4 10,-2.6 3,-0.0 2,-0.3 -0.946 54.9-160.0-139.9 158.4 0.2 25.3 21.2 24 25 A G - 0 0 25 -2,-0.3 8,-0.2 8,-0.3 6,-0.0 -0.848 29.5-118.2-121.4 170.9 3.1 24.2 19.1 25 26 A N - 0 0 80 6,-0.4 3,-0.1 -2,-0.3 7,-0.1 0.621 47.4-154.2 -81.0 -15.0 5.8 21.5 19.8 26 27 A G > + 0 0 24 5,-0.4 3,-3.0 3,-0.3 -1,-0.2 -0.280 58.8 67.5 70.6-159.1 8.6 24.1 19.6 27 28 A G T 3 S- 0 0 72 1,-0.3 -1,-0.2 3,-0.1 -2,-0.0 -0.220 123.2 -2.4 52.7-127.5 12.1 23.1 18.7 28 29 A V T 3 S+ 0 0 51 -3,-0.1 160,-1.4 159,-0.1 2,-0.8 0.572 112.4 97.4 -70.0 -9.7 12.2 22.1 15.0 29 30 A F B < -N 187 0C 39 -3,-3.0 2,-0.5 158,-0.2 -3,-0.3 -0.734 56.5-168.2 -85.0 113.3 8.4 22.6 14.7 30 31 A N + 0 0 23 156,-2.5 30,-0.8 -2,-0.8 2,-0.3 -0.262 57.1 64.6 -97.6 43.2 8.0 26.0 13.1 31 32 A C E -o 60 0D 0 -2,-0.5 -5,-0.4 28,-0.1 2,-0.4 -0.979 69.4-127.0-153.2 158.6 4.2 26.3 13.6 32 33 A I E -o 61 0D 17 28,-1.4 30,-2.2 -2,-0.3 2,-0.3 -0.909 40.4-112.0 -97.3 145.5 1.4 26.6 16.1 33 34 A W E -o 62 0D 0 -10,-2.6 -11,-3.0 -2,-0.4 2,-0.4 -0.603 33.1-165.3 -77.3 133.4 -1.4 24.1 15.7 34 35 A R > - 0 0 32 28,-2.4 3,-1.5 -2,-0.3 30,-0.2 -0.970 23.1-147.3-126.4 129.9 -4.7 25.7 14.6 35 36 A A G > S+ 0 0 23 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.862 99.5 67.1 -62.0 -27.1 -8.0 23.9 14.8 36 37 A Y G 3 S+ 0 0 117 1,-0.3 -1,-0.2 -3,-0.1 27,-0.1 0.618 88.7 63.4 -76.4 -5.1 -9.0 25.9 11.7 37 38 A N G < S+ 0 0 13 -3,-1.5 11,-3.0 25,-0.3 2,-0.4 0.136 87.7 87.0-100.0 8.6 -6.4 24.1 9.5 38 39 A I E < +B 47 0A 10 -3,-1.5 2,-0.4 9,-0.2 9,-0.2 -0.973 58.3 176.8 -98.3 128.2 -8.2 20.8 10.1 39 40 A E E -B 46 0A 92 7,-1.8 7,-3.8 -2,-0.4 2,-0.6 -1.000 20.7-161.5-136.9 131.2 -11.1 20.2 7.7 40 41 A L E +B 45 0A 38 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.978 29.2 157.2-107.5 115.3 -13.4 17.2 7.3 41 42 A K E > -B 44 0A 111 3,-2.4 3,-2.1 -2,-0.6 -30,-0.1 -0.990 63.8 -13.0-143.0 125.8 -15.0 17.2 3.9 42 43 A D T 3 S- 0 0 142 -2,-0.4 -32,-0.1 1,-0.3 3,-0.1 0.857 127.7 -53.8 60.1 33.7 -16.6 14.4 1.8 43 44 A G T 3 S+ 0 0 12 -34,-0.3 2,-0.5 -33,-0.2 -1,-0.3 0.656 113.6 115.7 72.3 18.2 -15.0 11.8 4.2 44 45 A I E < -B 41 0A 36 -3,-2.1 -3,-2.4 -35,-0.1 2,-0.6 -0.981 59.6-140.5-120.7 127.4 -11.5 13.1 3.8 45 46 A L E -BC 40 207A 0 162,-2.7 162,-2.2 -2,-0.5 2,-0.6 -0.806 20.4-162.7 -79.4 117.9 -9.5 14.7 6.7 46 47 A N E -BC 39 206A 26 -7,-3.8 -7,-1.8 -2,-0.6 2,-0.5 -0.927 7.8-173.3-108.6 112.8 -7.5 17.6 5.3 47 48 A L E -BC 38 205A 0 158,-2.8 158,-2.7 -2,-0.6 2,-0.3 -0.900 15.7-168.6-102.1 126.7 -4.6 19.0 7.4 48 49 A S E - C 0 204A 23 -11,-3.0 2,-0.5 -2,-0.5 156,-0.2 -0.825 26.4-143.3-121.1 153.9 -3.0 22.2 6.1 49 50 A I E + C 0 203A 0 154,-1.9 154,-1.2 -2,-0.3 153,-0.6 -0.946 38.9 156.7-103.2 127.4 0.0 24.5 6.6 50 51 A T E -P 61 0D 23 11,-2.1 11,-2.7 -2,-0.5 2,-0.2 -0.859 51.2 -73.5-133.2 178.8 -1.0 28.2 6.2 51 52 A D E -P 60 0D 95 -2,-0.3 9,-0.3 9,-0.2 2,-0.1 -0.516 59.0-121.2 -76.2 136.5 0.4 31.6 7.4 52 53 A D - 0 0 19 7,-2.4 9,-0.1 -2,-0.2 -1,-0.1 -0.343 33.8 -76.2 -79.0 174.0 -0.3 31.9 11.0 53 54 A M > - 0 0 96 1,-0.1 3,-1.8 7,-0.1 -1,-0.1 -0.247 47.8-106.3 -65.6 154.0 -2.3 34.7 12.8 54 55 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.773 118.1 47.1 -52.6 -32.3 -0.6 38.1 13.2 55 56 A S T 3 S+ 0 0 125 2,-0.0 2,-0.1 0, 0.0 -2,-0.1 0.464 85.3 117.9 -99.6 2.7 -0.0 37.6 16.9 56 57 A S < - 0 0 26 -3,-1.8 -4,-0.1 1,-0.1 5,-0.0 -0.369 66.2-135.1 -63.9 143.7 1.4 34.1 16.8 57 58 A S S S+ 0 0 102 -2,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.493 90.0 59.5 -67.9 -12.6 5.0 33.5 17.9 58 59 A K S S- 0 0 63 -5,-0.1 -2,-0.1 1,-0.1 -27,-0.1 -0.874 80.6-130.7-119.5 157.4 5.5 31.4 14.7 59 60 A P S S+ 0 0 65 0, 0.0 -7,-2.4 0, 0.0 2,-0.3 0.773 88.4 44.5 -70.4 -25.8 5.3 32.3 11.0 60 61 A Y E -oP 31 51D 42 -30,-0.8 -28,-1.4 -9,-0.3 2,-0.4 -0.835 67.1-140.7-127.4 155.9 3.1 29.3 10.2 61 62 A A E -oP 32 50D 0 -11,-2.7 -11,-2.1 -2,-0.3 -28,-0.2 -0.955 24.5-175.8-117.7 127.9 0.1 27.4 11.4 62 63 A G E -o 33 0D 0 -30,-2.2 -28,-2.4 -2,-0.4 2,-0.4 -0.459 17.9-120.8-102.2-171.7 0.0 23.6 11.2 63 64 A A E + I 0 184B 0 121,-1.5 121,-1.8 -30,-0.2 2,-0.4 -0.996 21.9 177.6-136.1 143.7 -2.5 21.0 12.0 64 65 A E E - I 0 183B 4 -2,-0.4 -44,-2.8 -44,-0.3 2,-0.5 -0.970 6.9-168.4-145.2 130.4 -2.6 18.1 14.3 65 66 A Y E -HI 19 182B 0 117,-3.6 117,-2.9 -2,-0.4 2,-0.4 -0.966 15.2-179.8-122.4 124.9 -5.5 15.8 14.9 66 67 A R E -HI 18 181B 26 -48,-2.4 -48,-2.7 -2,-0.5 115,-0.2 -0.969 27.1-114.4-139.2 139.6 -5.3 13.4 17.8 67 68 A T E -H 17 0B 1 113,-2.6 -50,-0.3 -2,-0.4 -51,-0.1 -0.280 15.1-140.4 -65.4 149.4 -7.5 10.6 19.4 68 69 A R S S+ 0 0 101 -52,-2.7 -51,-0.1 -53,-0.1 -1,-0.1 0.843 86.4 61.4 -70.3 -38.7 -8.8 11.1 22.9 69 70 A D S S- 0 0 103 -53,-0.5 111,-0.5 1,-0.1 2,-0.3 -0.285 79.2-127.0 -91.9 166.7 -8.1 7.4 23.6 70 71 A K - 0 0 58 109,-0.2 2,-0.3 -2,-0.1 109,-0.3 -0.774 18.4-150.0-113.8 157.7 -4.8 5.4 23.7 71 72 A F B -Q 178 0E 13 107,-2.8 107,-1.5 -2,-0.3 3,-0.1 -0.940 4.8-155.9-134.0 152.1 -4.0 2.2 21.9 72 73 A G - 0 0 4 -2,-0.3 80,-0.2 1,-0.3 106,-0.1 -0.035 51.0 -23.4-107.6-156.8 -1.7 -0.8 22.5 73 74 A Y S S+ 0 0 85 102,-0.1 -1,-0.3 141,-0.1 2,-0.3 -0.236 91.4 76.1 -50.7 145.2 0.1 -3.5 20.6 74 75 A G E S-D 152 0A 0 78,-1.9 78,-2.7 140,-0.3 2,-0.6 -0.902 82.3 -36.6 146.3-168.5 -1.5 -4.2 17.2 75 76 A L E -DE 151 213A 41 138,-2.6 138,-2.2 -2,-0.3 2,-0.5 -0.783 42.5-169.1 -98.5 117.6 -1.9 -3.1 13.6 76 77 A Y E -DE 150 212A 0 74,-2.8 74,-1.9 -2,-0.6 2,-0.4 -0.922 13.6-177.1-102.4 122.9 -2.2 0.7 13.0 77 78 A Q E -DE 149 211A 52 134,-3.0 134,-2.5 -2,-0.5 2,-0.4 -0.963 9.9-175.6-123.6 144.4 -3.3 1.5 9.4 78 79 A V E -DE 148 210A 0 70,-2.6 70,-2.4 -2,-0.4 2,-0.7 -0.992 17.7-154.3-132.3 141.2 -3.8 4.8 7.5 79 80 A R E +DE 147 209A 83 130,-2.5 129,-3.6 -2,-0.4 130,-1.1 -0.930 45.8 144.1-105.9 112.2 -5.1 5.6 4.1 80 81 A M E -DE 146 207A 0 66,-2.0 66,-1.8 -2,-0.7 127,-0.3 -0.942 49.6-145.4-148.7 161.7 -3.5 8.9 3.3 81 82 A K E - 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