==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JAN-07 2JEN . COMPND 2 MOLECULE: ENDO-BETA-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR T.M.GLOSTER,F.M.IBATULLIN,K.MACAULEY,J.M.EKLOF,S.ROBERTS, . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 45.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 1 0.4 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 . 19 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 1 2 1 2 2 0 4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 29 A A 0 0 113 0, 0.0 2,-0.3 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 152.9 -39.0 -39.7 14.6 2 30 A A E -A 39 0A 51 37,-2.0 37,-2.7 2,-0.0 2,-0.3 -0.982 360.0-165.9-155.9 156.7 -40.9 -36.7 16.0 3 31 A S E -A 38 0A 84 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.936 11.3-172.9-152.7 121.9 -43.7 -34.3 15.0 4 32 A S E -A 37 0A 37 33,-2.0 33,-2.5 -2,-0.3 7,-0.1 -0.852 13.6-175.6-127.0 154.9 -44.6 -31.0 16.7 5 33 A S + 0 0 61 -2,-0.3 30,-0.4 31,-0.2 -1,-0.1 0.421 45.2 103.1-136.6 0.5 -47.5 -28.5 16.4 6 34 A N S > S- 0 0 109 1,-0.1 3,-1.9 28,-0.1 16,-0.2 -0.547 81.6 -81.0 -89.9 157.7 -47.1 -25.4 18.6 7 35 A P T 3 S+ 0 0 69 0, 0.0 16,-0.2 0, 0.0 -1,-0.1 -0.260 112.3 5.3 -56.5 136.1 -46.0 -22.0 17.3 8 36 A S T 3 S+ 0 0 69 14,-2.9 15,-0.1 1,-0.2 -2,-0.0 0.525 86.9 159.2 66.8 12.6 -42.2 -21.7 16.9 9 37 A D < - 0 0 40 -3,-1.9 13,-2.8 13,-0.3 2,-0.4 -0.278 26.1-149.8 -58.6 151.8 -41.5 -25.3 17.7 10 38 A K E -F 21 0B 73 11,-0.2 2,-0.6 12,-0.1 11,-0.2 -0.994 17.5-167.3-133.4 130.5 -38.1 -26.6 16.5 11 39 A L E -F 20 0B 29 9,-2.3 9,-2.5 -2,-0.4 2,-0.1 -0.926 21.4-155.5-113.6 104.1 -37.0 -30.0 15.4 12 40 A Y E +F 19 0B 102 -2,-0.6 2,-0.3 7,-0.3 7,-0.3 -0.437 18.5 168.6 -77.7 151.8 -33.2 -30.0 15.1 13 41 A F E >> +F 18 0B 10 5,-2.3 5,-1.9 1,-0.2 4,-0.5 -0.957 47.8 43.5-155.9 166.8 -31.3 -32.4 12.9 14 42 A K T >45S- 0 0 85 -2,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.954 134.7 -46.4 59.0 56.4 -27.8 -33.1 11.5 15 43 A N T 345S- 0 0 156 1,-0.3 -1,-0.2 2,-0.1 61,-0.1 0.869 107.6 -60.0 53.8 40.7 -26.0 -32.4 14.8 16 44 A K T 345S+ 0 0 121 2,-0.2 60,-0.5 1,-0.1 -1,-0.3 0.610 106.6 125.7 60.9 21.1 -28.1 -29.2 15.2 17 45 A K T <<5S+ 0 0 34 -3,-1.9 50,-0.5 -4,-0.5 2,-0.3 0.815 79.8 21.2 -70.1 -29.5 -26.8 -27.7 12.0 18 46 A Y E < -FG 13 66B 0 -5,-1.9 -5,-2.3 48,-0.1 2,-0.3 -0.909 65.3-165.0-130.1 160.6 -30.5 -27.3 10.9 19 47 A Y E -FG 12 65B 5 46,-1.6 46,-2.8 -2,-0.3 2,-0.4 -0.987 23.1-129.6-143.5 144.8 -33.9 -27.2 12.4 20 48 A I E -FG 11 64B 0 -9,-2.5 -9,-2.3 -2,-0.3 2,-0.5 -0.762 34.7-154.2 -78.5 135.6 -37.4 -27.5 11.1 21 49 A F E -FG 10 63B 15 42,-3.3 2,-2.2 -2,-0.4 42,-1.5 -0.963 20.2-144.0-127.1 121.7 -39.2 -24.5 12.4 22 50 A N - 0 0 0 -13,-2.8 -14,-2.9 -2,-0.5 2,-0.6 -0.467 35.7-178.4 -82.9 68.9 -43.0 -24.2 12.9 23 51 A N + 0 0 10 -2,-2.2 38,-2.0 38,-0.3 3,-0.1 -0.631 19.6 164.2 -83.1 113.1 -42.9 -20.6 11.8 24 52 A V > + 0 0 16 -2,-0.6 3,-1.9 36,-0.2 4,-0.2 -0.279 16.4 147.3-120.5 46.4 -46.4 -19.0 12.1 25 53 A W T 3 S+ 0 0 156 1,-0.3 3,-0.3 2,-0.1 35,-0.2 0.693 71.2 44.7 -63.6 -24.0 -45.3 -15.3 11.8 26 54 A G T 3 S+ 0 0 22 33,-1.6 3,-0.4 1,-0.2 -1,-0.3 0.135 87.0 94.6-104.0 16.7 -48.4 -14.1 10.0 27 55 A A X + 0 0 6 -3,-1.9 3,-1.7 32,-0.2 -1,-0.2 0.499 47.0 100.3 -92.1 -5.1 -51.1 -15.9 12.0 28 56 A D T 3 S+ 0 0 158 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.780 88.3 39.5 -57.9 -35.0 -52.2 -13.3 14.7 29 57 A Q T 3 S+ 0 0 194 -3,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.220 106.7 72.0-105.4 16.2 -55.4 -12.2 12.9 30 58 A V < - 0 0 41 -3,-1.7 2,-0.3 29,-0.1 3,-0.1 -0.865 55.2-169.8-127.2 164.1 -56.7 -15.5 11.6 31 59 A S + 0 0 103 -2,-0.3 3,-0.1 21,-0.3 -2,-0.0 -0.836 55.9 61.8-144.0 173.7 -58.2 -18.6 13.2 32 60 A G S S+ 0 0 49 -2,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.601 79.5 127.9 84.5 9.0 -59.2 -22.2 12.3 33 61 A W - 0 0 69 18,-0.1 2,-0.3 -3,-0.1 -1,-0.3 -0.565 35.1-179.6-106.1 161.0 -55.6 -23.2 11.5 34 62 A W E - B 0 50A 116 16,-1.9 16,-2.4 -2,-0.2 2,-0.3 -0.976 2.3-174.3-150.1 157.4 -53.1 -25.8 12.4 35 63 A Q E - B 0 49A 1 -30,-0.4 2,-0.4 -2,-0.3 14,-0.2 -0.912 3.1-172.6-157.8 126.5 -49.5 -26.6 11.3 36 64 A T E - B 0 48A 31 12,-2.5 12,-2.3 -2,-0.3 2,-0.3 -0.988 8.3-156.6-126.1 130.2 -47.3 -29.6 12.2 37 65 A I E -AB 4 47A 0 -33,-2.5 -33,-2.0 -2,-0.4 2,-0.3 -0.793 18.3-173.5-100.1 145.1 -43.6 -30.1 11.5 38 66 A Y E -AB 3 46A 29 8,-2.7 8,-2.4 -2,-0.3 2,-0.4 -0.995 20.1-169.3-143.7 152.2 -42.2 -33.6 11.3 39 67 A H E +AB 2 45A 33 -37,-2.7 -37,-2.0 -2,-0.3 6,-0.2 -0.943 17.2 159.8-137.9 113.4 -38.9 -35.5 11.0 40 68 A N E S- 0 0 81 4,-2.8 2,-0.3 1,-0.5 5,-0.2 0.786 79.2 -26.5 -93.6 -44.2 -38.7 -39.2 10.3 41 69 A S E > S- B 0 44A 45 3,-1.6 3,-2.0 -40,-0.0 -1,-0.5 -0.943 73.5 -87.8-152.4 178.4 -35.2 -39.1 9.0 42 70 A D T 3 S+ 0 0 57 1,-0.3 186,-0.2 -2,-0.3 3,-0.1 0.582 131.3 42.7 -70.9 -8.9 -32.9 -36.6 7.3 43 71 A S T 3 S+ 0 0 73 1,-0.2 -1,-0.3 184,-0.1 2,-0.2 0.121 114.9 51.2-116.8 19.6 -34.3 -37.8 4.0 44 72 A D E < S+B 41 0A 59 -3,-2.0 -4,-2.8 2,-0.0 -3,-1.6 -0.635 77.3 112.1-158.6 90.8 -38.0 -37.9 5.1 45 73 A M E +BC 39 225A 0 180,-1.5 180,-3.3 -6,-0.2 2,-0.3 -0.929 22.0 120.1-155.9 167.4 -39.3 -34.8 6.7 46 74 A G E -BC 38 224A 0 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.3 -0.972 43.7 -91.0 163.3-154.0 -41.7 -32.0 6.1 47 75 A W E -BC 37 223A 0 176,-1.5 176,-2.4 -2,-0.3 2,-0.3 -0.978 14.1-146.2-160.6 158.5 -44.8 -30.3 7.4 48 76 A V E +BC 36 222A 36 -12,-2.3 -12,-2.5 -2,-0.3 2,-0.3 -0.962 25.7 179.1-131.2 142.0 -48.6 -30.4 7.1 49 77 A W E -BC 35 221A 0 172,-2.7 172,-2.1 -2,-0.3 2,-0.3 -0.963 28.6-164.8-149.1 160.0 -50.9 -27.3 7.3 50 78 A N E +BC 34 220A 29 -16,-2.4 -16,-1.9 -2,-0.3 170,-0.2 -0.882 16.8 167.7-147.6 113.2 -54.3 -25.8 7.2 51 79 A W E - C 0 219A 3 168,-2.7 168,-2.2 -2,-0.3 2,-1.3 -0.786 17.6-162.3-128.1 77.6 -54.6 -22.1 6.8 52 80 A P + 0 0 72 0, 0.0 2,-0.3 0, 0.0 -21,-0.3 -0.505 45.2 109.2 -73.4 99.1 -58.3 -21.2 6.0 53 81 A S - 0 0 38 -2,-1.3 -2,-0.1 -23,-0.1 6,-0.1 -0.953 54.6-152.9-165.6 146.9 -58.1 -17.7 4.5 54 82 A N + 0 0 154 -2,-0.3 164,-0.1 164,-0.1 -1,-0.0 0.402 61.5 114.7 -98.7 -0.8 -58.5 -15.9 1.1 55 83 A T S S- 0 0 62 162,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.262 70.2-126.2 -86.3 162.2 -56.2 -13.0 1.9 56 84 A S S S+ 0 0 109 2,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.320 74.7 109.0 -87.1 9.3 -52.9 -12.0 0.3 57 85 A T S S- 0 0 77 160,-0.2 2,-0.4 1,-0.1 -2,-0.1 -0.632 77.6-113.0 -84.8 141.8 -51.0 -11.9 3.6 58 86 A V - 0 0 20 -2,-0.3 159,-0.2 1,-0.2 3,-0.1 -0.630 31.3-174.7 -70.2 121.9 -48.4 -14.6 4.3 59 87 A K - 0 0 0 157,-2.9 -33,-1.6 -2,-0.4 2,-0.3 0.797 61.5 -7.9 -84.7 -34.2 -49.8 -16.6 7.3 60 88 A A B -H 216 0B 0 156,-1.0 156,-2.2 -35,-0.2 -1,-0.3 -0.980 42.4-153.5-160.9 156.8 -46.8 -18.8 7.9 61 89 A Y - 0 0 4 -38,-2.0 -38,-0.3 -2,-0.3 154,-0.2 -0.523 18.1-171.5-139.1 66.6 -43.4 -20.0 6.6 62 90 A P + 0 0 0 0, 0.0 152,-2.1 0, 0.0 2,-0.3 -0.417 33.9 145.6 -55.1 138.0 -42.9 -23.5 7.9 63 91 A S E -GI 21 213B 0 -42,-1.5 -42,-3.3 150,-0.2 2,-0.5 -0.972 55.6 -99.9-167.0 162.5 -39.3 -24.1 6.9 64 92 A I E -GI 20 212B 0 148,-2.8 148,-2.1 -2,-0.3 2,-0.5 -0.947 39.7-154.2 -98.7 135.1 -35.9 -25.5 7.5 65 93 A V E -GI 19 211B 0 -46,-2.8 -46,-1.6 -2,-0.5 2,-0.4 -0.932 16.9-178.7-112.0 131.8 -33.3 -23.0 8.9 66 94 A S E -GI 18 210B 0 144,-1.9 144,-2.2 -2,-0.5 2,-0.4 -0.999 67.0 -5.8-118.0 128.7 -29.6 -23.0 8.6 67 95 A G E S+ I 0 209B 1 -50,-0.5 8,-1.6 -2,-0.4 142,-0.3 -0.823 113.3 1.4 99.4-134.3 -27.8 -20.2 10.4 68 96 A W + 0 0 0 140,-2.2 6,-0.2 -2,-0.4 -2,-0.2 -0.638 43.7 167.0 -94.8 149.1 -29.6 -17.4 12.1 69 97 A H S S- 0 0 24 4,-0.4 3,-0.1 -2,-0.3 51,-0.1 -0.447 83.7 -52.8-156.5 82.1 -33.4 -16.7 12.5 70 98 A W S S+ 0 0 88 1,-0.2 2,-0.3 52,-0.2 50,-0.2 0.917 108.6 128.5 46.3 48.2 -33.9 -13.9 15.1 71 99 A T S S- 0 0 29 2,-0.3 2,-1.8 48,-0.3 -1,-0.2 -0.792 78.3 -96.6-121.1 163.0 -31.8 -16.0 17.4 72 100 A E S S- 0 0 144 -2,-0.3 2,-0.2 47,-0.2 47,-0.2 -0.625 95.9 -33.5 -80.2 86.3 -28.7 -15.3 19.5 73 101 A G S S- 0 0 13 -2,-1.8 -4,-0.4 45,-1.2 -2,-0.3 -0.651 86.3 -54.1 99.9-160.1 -26.4 -16.5 16.9 74 102 A Y - 0 0 48 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.924 56.1 -86.6-129.8 146.1 -26.2 -19.1 14.2 75 103 A T > - 0 0 16 -8,-1.6 3,-1.8 -2,-0.3 5,-0.3 -0.158 57.7 -93.7 -59.2 142.6 -26.7 -22.9 14.1 76 104 A A T 3 S+ 0 0 66 -60,-0.5 -1,-0.1 1,-0.3 -9,-0.1 -0.329 105.2 4.7 -59.0 131.3 -23.6 -24.9 14.9 77 105 A G T 3 S+ 0 0 68 -3,-0.1 -1,-0.3 3,-0.1 -60,-0.1 0.579 90.1 122.5 75.1 7.2 -21.6 -25.9 11.9 78 106 A S S < S- 0 0 2 -3,-1.8 154,-0.3 2,-0.2 -2,-0.1 0.791 74.5-126.2 -71.8 -27.1 -23.8 -24.1 9.4 79 107 A G + 0 0 41 1,-0.4 -1,-0.1 -4,-0.3 -3,-0.1 0.389 54.6 164.1 89.0 1.1 -21.0 -22.0 8.0 80 108 A F + 0 0 15 -5,-0.3 -1,-0.4 128,-0.1 -2,-0.2 -0.751 40.8 48.1 -99.8 146.7 -22.9 -18.7 8.7 81 109 A P + 0 0 41 0, 0.0 2,-0.4 0, 0.0 127,-0.2 0.550 69.8 167.9 -83.3 153.1 -22.1 -15.9 8.9 82 110 A T E -J 207 0B 11 125,-1.7 125,-3.1 -2,-0.1 2,-0.2 -0.993 31.6-129.4-131.6 128.5 -20.1 -15.6 5.7 83 111 A R E > -J 206 0B 90 -2,-0.4 3,-1.9 123,-0.3 5,-0.5 -0.511 13.6-134.2 -78.5 135.0 -19.1 -12.3 4.2 84 112 A L G > S+ 0 0 11 121,-3.1 3,-1.9 1,-0.3 120,-0.2 0.880 104.8 62.0 -58.3 -34.5 -19.9 -11.9 0.5 85 113 A S G 3 S+ 0 0 65 118,-2.0 -1,-0.3 120,-0.3 119,-0.1 0.672 91.8 66.2 -68.0 -13.7 -16.4 -10.5 -0.2 86 114 A D G < S- 0 0 98 -3,-1.9 -1,-0.3 117,-0.2 -2,-0.2 0.617 97.6-145.3 -79.3 -12.3 -15.0 -13.9 1.0 87 115 A Q < + 0 0 65 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.764 30.4 172.8 57.4 38.4 -16.7 -15.3 -2.1 88 116 A K - 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