==== 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 2JEM . 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, . 464 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 46.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 38 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 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 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 6 0 4 4 0 8 0 2 2 2 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 2 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 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 30 A A 0 0 85 0, 0.0 37,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.4 0.8 15.4 12.3 2 31 A S E -A 37 0A 60 35,-0.2 2,-0.3 37,-0.0 35,-0.2 -0.990 360.0-171.5-149.8 152.8 3.3 17.5 14.2 3 32 A S E -A 36 0A 29 33,-2.0 33,-2.6 -2,-0.3 7,-0.1 -0.991 9.8-170.9-146.3 151.6 6.7 17.0 16.0 4 33 A S + 0 0 57 -2,-0.3 30,-0.4 31,-0.2 3,-0.1 0.419 49.9 98.7-129.5 -4.1 8.9 19.2 18.3 5 34 A N S > S- 0 0 104 1,-0.1 3,-1.6 28,-0.1 16,-0.2 -0.516 81.9 -93.1 -84.6 156.2 12.3 17.6 18.9 6 35 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.408 113.3 18.6 -60.6 146.0 15.5 18.5 17.0 7 36 A S T 3 S+ 0 0 75 1,-0.2 -3,-0.0 -3,-0.1 2,-0.0 0.352 86.2 146.7 77.0 -5.5 15.9 16.2 14.1 8 37 A D < - 0 0 48 -3,-1.6 13,-2.9 12,-0.1 2,-0.4 -0.361 30.8-158.6 -60.7 144.2 12.3 15.0 14.0 9 38 A K E -F 20 0B 67 11,-0.2 2,-0.5 12,-0.1 11,-0.2 -0.958 14.1-159.9-126.7 142.6 11.0 14.3 10.5 10 39 A L E -F 19 0B 21 9,-2.5 9,-2.6 -2,-0.4 2,-0.2 -0.968 18.1-151.6-121.4 112.9 7.5 14.1 9.1 11 40 A Y E +F 18 0B 102 -2,-0.5 2,-0.3 7,-0.3 7,-0.3 -0.531 20.7 167.9 -81.3 145.3 7.2 12.2 5.8 12 41 A F E >> +F 17 0B 11 5,-2.3 5,-1.8 -2,-0.2 4,-0.5 -0.936 47.7 42.3-144.7 173.5 4.6 12.9 3.2 13 42 A K T >45S- 0 0 54 -2,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.930 134.0 -47.0 56.2 55.8 3.7 12.0 -0.4 14 43 A N T 345S- 0 0 162 1,-0.3 -1,-0.2 2,-0.1 61,-0.0 0.868 107.3 -59.9 55.7 39.8 4.6 8.3 -0.1 15 44 A K T 345S+ 0 0 120 2,-0.2 60,-0.5 1,-0.1 -1,-0.3 0.603 107.7 123.9 63.6 16.9 7.9 9.3 1.6 16 45 A K T <<5S+ 0 0 37 -3,-1.7 50,-0.6 -4,-0.5 2,-0.3 0.839 80.3 21.3 -68.6 -34.5 9.1 11.3 -1.4 17 46 A Y E < -FG 12 65B 0 -5,-1.8 -5,-2.3 48,-0.1 2,-0.3 -0.882 65.3-168.1-126.0 159.4 9.4 14.3 0.9 18 47 A Y E -FG 11 64B 3 46,-1.5 46,-3.2 -2,-0.3 2,-0.4 -0.987 22.7-130.1-141.7 150.7 9.8 15.0 4.6 19 48 A I E -FG 10 63B 0 -9,-2.6 -9,-2.5 -2,-0.3 2,-0.5 -0.828 29.9-159.5 -86.8 136.2 9.7 18.1 6.8 20 49 A F E -FG 9 62B 18 42,-2.9 42,-1.7 -2,-0.4 -11,-0.2 -0.975 20.0-147.9-125.4 121.9 12.8 18.2 9.0 21 50 A N - 0 0 0 -13,-2.9 39,-0.2 -2,-0.5 -1,-0.1 0.891 28.2-174.3 -59.4 -37.2 13.0 20.2 12.2 22 51 A N + 0 0 12 -14,-0.3 38,-2.4 1,-0.2 2,-0.5 0.879 6.4 179.4 47.5 59.0 16.7 20.7 11.5 23 52 A V B +H 59 0B 17 36,-0.2 36,-0.3 1,-0.1 -1,-0.2 -0.788 17.1 166.8 -97.9 126.8 17.6 22.5 14.8 24 53 A W S S+ 0 0 128 34,-2.7 3,-0.3 -2,-0.5 35,-0.2 0.701 70.7 50.6-104.3 -29.2 21.2 23.5 15.3 25 54 A G >> + 0 0 0 33,-2.6 4,-1.4 1,-0.2 3,-1.1 0.075 62.8 120.8-107.9 23.4 21.1 25.9 18.2 26 55 A A T 34 S+ 0 0 25 1,-0.3 3,-0.3 2,-0.2 6,-0.3 0.878 84.0 43.4 -54.9 -43.8 19.2 24.0 20.9 27 56 A D T 34 S+ 0 0 175 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.604 113.7 54.1 -78.5 -12.2 22.1 24.1 23.4 28 57 A Q T <4 S+ 0 0 116 -3,-1.1 2,-0.5 1,-0.2 -1,-0.2 0.707 101.8 56.5 -89.6 -28.1 22.8 27.8 22.6 29 58 A V S >< S- 0 0 9 -4,-1.4 3,-1.4 -3,-0.3 2,-0.2 -0.930 74.3-138.8-123.1 113.3 19.4 29.4 23.2 30 59 A S T 3 S+ 0 0 115 -2,-0.5 -3,-0.1 1,-0.3 -4,-0.0 -0.485 88.7 12.2 -72.2 131.6 17.5 29.2 26.5 31 60 A G T 3 S+ 0 0 33 -2,-0.2 -1,-0.3 1,-0.2 -5,-0.0 0.639 85.6 157.2 81.0 15.7 13.8 28.6 26.0 32 61 A W < + 0 0 58 -3,-1.4 2,-0.3 -6,-0.3 -1,-0.2 -0.370 12.6 174.6 -64.4 150.3 13.9 27.7 22.3 33 62 A W E + B 0 49A 14 16,-1.8 16,-2.6 201,-0.0 2,-0.3 -0.954 6.8 176.8-151.9 152.3 11.0 25.7 20.9 34 63 A Q E - B 0 48A 1 -30,-0.4 2,-0.4 -2,-0.3 14,-0.2 -0.920 4.7-171.9-159.1 130.2 10.2 24.6 17.3 35 64 A T E - B 0 47A 6 12,-3.0 12,-2.5 -2,-0.3 2,-0.3 -0.992 8.8-155.6-131.6 133.3 7.5 22.5 15.9 36 65 A I E -AB 3 46A 0 -33,-2.6 -33,-2.0 -2,-0.4 2,-0.3 -0.814 18.1-175.1-100.8 146.5 6.9 21.1 12.4 37 66 A Y E -AB 2 45A 4 8,-2.7 8,-2.4 -2,-0.3 2,-0.4 -0.989 19.3-168.8-142.4 152.5 3.4 20.2 11.2 38 67 A H E + B 0 44A 32 -37,-2.9 6,-0.2 -2,-0.3 3,-0.1 -0.930 14.9 163.6-140.8 112.1 1.7 18.6 8.2 39 68 A N E S- 0 0 76 4,-3.1 2,-0.3 1,-0.5 5,-0.2 0.757 74.5 -26.7 -94.6 -38.3 -2.1 18.8 7.9 40 69 A S E > S- B 0 43A 47 3,-1.7 3,-1.9 224,-0.0 -1,-0.5 -0.936 75.3 -84.0-160.5 176.0 -2.3 18.0 4.2 41 70 A D T 3 S+ 0 0 64 -2,-0.3 186,-0.3 1,-0.3 3,-0.1 0.570 131.8 42.7 -69.2 -7.3 -0.1 18.2 1.1 42 71 A S T 3 S+ 0 0 74 1,-0.2 -1,-0.3 184,-0.1 2,-0.2 0.127 114.6 51.7-117.9 20.6 -1.4 21.9 0.8 43 72 A D E < S+B 40 0A 30 -3,-1.9 -4,-3.1 2,-0.0 -3,-1.7 -0.694 72.2 115.7-158.6 95.4 -1.2 22.8 4.4 44 73 A M E +BC 38 224A 0 180,-1.5 180,-3.3 -6,-0.2 2,-0.3 -0.926 21.5 117.2-153.4 168.0 2.1 22.3 6.3 45 74 A G E -BC 37 223A 0 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.3 -0.984 44.7 -94.5 162.5-151.6 4.8 24.4 7.9 46 75 A W E -BC 36 222A 0 176,-1.2 176,-2.4 -2,-0.3 2,-0.4 -0.974 12.4-143.3-163.4 162.7 6.5 25.1 11.2 47 76 A V E -BC 35 221A 0 -12,-2.5 -12,-3.0 -2,-0.3 2,-0.3 -0.993 25.1-175.6-139.6 134.8 6.4 27.4 14.2 48 77 A W E -BC 34 220A 0 172,-2.7 172,-2.4 -2,-0.4 2,-0.4 -0.956 25.2-166.4-140.8 158.6 9.4 28.6 16.1 49 78 A N E +BC 33 219A 0 -16,-2.6 -16,-1.8 -2,-0.3 170,-0.2 -0.927 16.7 164.0-147.4 110.3 10.7 30.6 19.0 50 79 A W E - C 0 218A 0 168,-2.3 168,-3.1 -2,-0.4 2,-1.9 -0.767 17.3-166.5-129.5 77.1 14.4 31.6 19.1 51 80 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.520 48.1 112.4 -72.8 85.3 14.8 34.3 21.7 52 81 A S - 0 0 31 -2,-1.9 166,-0.1 -23,-0.1 -2,-0.1 -0.988 52.4-163.7-152.4 145.8 18.3 35.4 20.6 53 82 A N + 0 0 165 -2,-0.3 2,-0.2 164,-0.1 164,-0.1 0.167 57.5 116.8-118.8 18.2 19.9 38.4 19.0 54 83 A T - 0 0 72 162,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.535 69.9-125.7 -80.2 156.0 23.2 36.5 18.0 55 84 A S S S+ 0 0 108 -2,-0.2 2,-0.1 2,-0.1 -1,-0.1 0.349 72.1 109.8 -91.8 6.9 23.9 36.3 14.3 56 85 A T S S- 0 0 66 160,-0.2 2,-0.4 1,-0.1 -2,-0.1 -0.486 78.2-106.4 -76.9 149.8 24.3 32.5 14.1 57 86 A V - 0 0 29 1,-0.2 159,-0.3 -2,-0.1 3,-0.1 -0.652 32.6-172.5 -73.4 128.9 21.7 30.3 12.3 58 87 A K - 0 0 0 157,-3.2 -34,-2.7 -2,-0.4 -33,-2.6 0.738 63.7 -10.3 -92.7 -28.2 19.8 28.5 15.0 59 88 A A B -HI 23 215B 0 156,-1.1 156,-2.6 -36,-0.3 -1,-0.4 -0.978 41.9-154.7-166.6 154.5 17.8 26.2 12.7 60 89 A Y - 0 0 3 -38,-2.4 154,-0.2 -2,-0.3 -40,-0.1 -0.495 21.7-169.3-135.3 64.2 16.9 25.6 9.1 61 90 A P + 0 0 0 0, 0.0 152,-2.0 0, 0.0 2,-0.3 -0.370 26.9 164.3 -56.4 134.3 13.5 23.8 9.3 62 91 A S E -GJ 20 212B 0 -42,-1.7 -42,-2.9 150,-0.2 2,-0.5 -0.966 47.6-116.3-151.7 155.9 12.9 22.6 5.8 63 92 A I E -GJ 19 211B 0 148,-3.1 148,-2.1 -2,-0.3 2,-0.4 -0.909 41.8-154.2 -94.2 133.0 11.0 20.3 3.4 64 93 A V E -GJ 18 210B 0 -46,-3.2 -46,-1.5 -2,-0.5 2,-0.4 -0.906 20.6-176.6-114.7 137.3 13.6 17.9 1.9 65 94 A S E -GJ 17 209B 0 144,-1.3 144,-2.2 -2,-0.4 2,-0.4 -0.990 67.5 -9.3-124.9 123.9 13.5 16.0 -1.4 66 95 A G E S+ J 0 208B 0 -50,-0.6 8,-1.5 -2,-0.4 142,-0.3 -0.820 114.0 4.8 100.4-132.3 16.4 13.6 -2.0 67 96 A W + 0 0 0 140,-2.6 -2,-0.2 -2,-0.4 6,-0.2 -0.595 45.8 167.0 -93.8 146.1 19.5 13.4 0.3 68 97 A H S S- 0 0 18 4,-0.4 3,-0.1 -2,-0.2 51,-0.1 -0.497 83.6 -50.5-153.9 88.7 20.2 15.3 3.5 69 98 A W S S+ 0 0 85 1,-0.2 2,-0.3 52,-0.2 50,-0.2 0.921 110.7 125.2 42.3 48.5 23.2 13.9 5.4 70 99 A T S S- 0 0 31 2,-0.3 2,-1.4 48,-0.3 -1,-0.2 -0.857 78.8 -97.4-123.9 159.6 21.4 10.5 4.9 71 100 A E S S- 0 0 137 -2,-0.3 47,-0.2 47,-0.2 2,-0.2 -0.705 94.8 -29.9 -75.6 97.6 22.5 7.2 3.4 72 101 A G S S- 0 0 18 45,-1.9 -4,-0.4 -2,-1.4 2,-0.3 -0.529 89.0 -55.7 91.5-159.3 20.9 7.8 0.0 73 102 A Y - 0 0 49 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.916 53.6 -87.0-135.5 143.3 17.9 9.7 -1.2 74 103 A T > - 0 0 17 -8,-1.5 3,-1.7 -2,-0.3 5,-0.3 -0.173 60.2 -89.9 -54.7 142.2 14.2 9.8 -0.5 75 104 A A T 3 S+ 0 0 68 -60,-0.5 -1,-0.1 1,-0.3 -9,-0.1 -0.298 106.6 3.2 -60.7 131.0 12.1 7.3 -2.5 76 105 A G T 3 S+ 0 0 71 -3,-0.1 -1,-0.3 3,-0.1 -60,-0.1 0.586 90.5 125.5 71.2 10.1 10.8 8.5 -5.9 77 106 A S S < S- 0 0 2 -3,-1.7 154,-0.4 2,-0.2 -2,-0.1 0.822 71.6-130.0 -66.5 -32.3 12.6 11.8 -5.5 78 107 A G + 0 0 40 1,-0.4 -1,-0.1 -4,-0.3 -3,-0.1 0.458 53.0 164.6 88.9 1.1 14.4 11.4 -8.8 79 108 A F + 0 0 14 -5,-0.3 -1,-0.4 128,-0.1 -2,-0.2 -0.794 38.0 48.7 -99.5 148.8 17.8 12.3 -7.1 80 109 A P + 0 0 41 0, 0.0 2,-0.4 0, 0.0 127,-0.2 0.518 68.7 168.1 -83.4 161.2 20.6 12.0 -7.7 81 110 A T E -K 206 0B 12 125,-1.6 125,-2.9 -2,-0.1 2,-0.3 -0.992 31.9-125.1-139.3 129.6 20.6 13.5 -11.2 82 111 A R E >> -K 205 0B 89 -2,-0.4 3,-1.6 123,-0.2 4,-0.5 -0.541 12.4-135.3 -79.3 138.4 23.8 14.5 -13.1 83 112 A L G >4 S+ 0 0 10 121,-2.9 3,-1.9 1,-0.3 120,-0.2 0.897 105.5 59.3 -57.0 -42.9 24.0 18.1 -14.4 84 113 A S G 34 S+ 0 0 61 118,-2.3 -1,-0.3 120,-0.3 119,-0.1 0.690 95.8 64.4 -59.8 -20.0 25.3 16.8 -17.8 85 114 A D G <4 S- 0 0 106 -3,-1.6 -1,-0.3 117,-0.2 -2,-0.2 0.627 95.2-147.5 -80.0 -14.8 22.1 14.8 -18.2 86 115 A Q << + 0 0 53 -3,-1.9 -3,-0.1 -4,-0.5 -2,-0.1 0.742 28.1 172.5 60.3 31.7 20.1 18.1 -18.2 87 116 A K - 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