==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAY-08 3D6E . COMPND 2 MOLECULE: BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR I.FITA,A.PLANAS,B.M.CALISTO,T.ADDINGTON . 371 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 45.3 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 . 34 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 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 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 0 PARALLEL BRIDGES PER LADDER . 3 0 6 5 5 2 8 0 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 0 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 1 A Q 0 0 79 0, 0.0 56,-0.2 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 157.5 1.2 11.9 15.2 2 2 A T + 0 0 101 54,-0.8 2,-0.4 2,-0.1 55,-0.2 0.520 360.0 71.7-101.5 -10.0 4.9 11.7 15.7 3 3 A G - 0 0 1 53,-1.9 55,-0.4 51,-0.0 2,-0.1 -0.907 58.6-162.0-120.4 136.6 5.9 12.4 12.0 4 4 A G - 0 0 37 -2,-0.4 179,-0.1 1,-0.2 51,-0.1 -0.232 47.9 -47.1 -96.4-170.3 5.8 15.5 9.9 5 5 A S + 0 0 70 180,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.213 64.2 164.4 -61.0 146.7 5.9 16.0 6.1 6 6 A F E -A 183 0A 32 177,-2.1 177,-2.1 -3,-0.1 2,-0.4 -0.988 32.4-140.8-158.3 158.4 8.5 14.1 4.1 7 7 A Y E -A 182 0A 125 -2,-0.3 175,-0.2 175,-0.2 177,-0.0 -0.999 15.2-166.5-123.3 130.6 9.5 13.0 0.6 8 8 A E E +A 181 0A 11 173,-3.3 173,-2.1 -2,-0.4 -2,-0.0 -0.911 14.4 173.8-120.4 101.6 11.0 9.6 0.0 9 9 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 173,-0.0 0.595 42.3-130.1 -79.5 -10.4 12.7 9.0 -3.4 10 10 A F + 0 0 0 2,-0.2 19,-0.2 171,-0.1 3,-0.1 0.886 65.5 133.5 58.9 44.4 14.0 5.5 -2.3 11 11 A N S S+ 0 0 105 1,-0.3 2,-0.3 21,-0.1 21,-0.2 0.823 80.4 14.8 -82.0 -40.7 17.6 6.1 -3.4 12 12 A N S S- 0 0 129 20,-0.1 2,-1.0 22,-0.0 -1,-0.3 -0.921 88.8-107.5-126.3 157.0 18.8 4.7 -0.0 13 13 A Y - 0 0 44 -2,-0.3 2,-0.8 -3,-0.1 3,-0.1 -0.756 32.9-154.0 -86.8 101.7 16.9 2.7 2.6 14 14 A N >> - 0 0 78 -2,-1.0 4,-2.0 1,-0.2 3,-0.5 -0.668 12.6-172.6 -79.3 109.2 16.4 5.1 5.5 15 15 A T T 34 S+ 0 0 110 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.648 85.2 62.2 -75.6 -17.0 16.0 3.0 8.7 16 16 A G T 34 S+ 0 0 45 1,-0.1 -1,-0.2 -3,-0.1 39,-0.1 0.715 115.8 31.1 -75.7 -23.5 15.1 6.2 10.6 17 17 A L T <4 S+ 0 0 19 -3,-0.5 37,-1.4 1,-0.2 38,-0.4 0.663 127.2 30.4-105.2 -25.5 12.0 6.5 8.4 18 18 A W E < -H 53 0B 1 -4,-2.0 2,-0.3 35,-0.3 35,-0.2 -0.925 54.2-162.0-136.2 159.0 11.2 2.8 7.7 19 19 A Q E -H 52 0B 72 33,-2.9 33,-2.2 -2,-0.3 2,-0.3 -0.996 19.9-131.6-139.9 142.0 11.5 -0.7 9.1 20 20 A K E -H 51 0B 61 -2,-0.3 31,-0.2 31,-0.2 3,-0.2 -0.696 5.9-144.6 -92.0 141.8 11.3 -4.0 7.4 21 21 A W S S+ 0 0 57 29,-2.0 2,-0.4 1,-0.3 -1,-0.2 0.979 93.2 1.5 -64.0 -55.3 9.1 -6.8 8.7 22 22 A A S > S- 0 0 36 28,-0.5 3,-1.9 -3,-0.1 2,-1.4 -0.995 77.0-119.0-132.1 139.1 11.7 -9.3 7.5 23 23 A F T 3 S+ 0 0 173 -2,-0.4 4,-0.1 1,-0.3 0, 0.0 -0.654 110.8 56.0 -76.8 96.6 15.1 -8.6 5.9 24 24 A D T 3 S+ 0 0 112 -2,-1.4 -1,-0.3 2,-0.3 3,-0.1 0.121 92.6 70.0 153.8 -16.4 14.1 -10.5 2.8 25 25 A H S < S+ 0 0 23 -3,-1.9 12,-5.1 1,-0.3 2,-0.2 0.837 99.1 42.7 -83.2 -41.4 10.9 -8.6 1.9 26 26 A V E +B 36 0A 6 10,-0.4 -1,-0.3 -4,-0.2 2,-0.3 -0.816 61.0 165.2 126.1 72.9 12.2 -5.7 0.9 27 27 A S E -B 35 0A 38 8,-2.2 8,-2.9 -2,-0.2 2,-0.3 -0.989 30.2-123.1-147.0 148.1 15.2 -4.8 -1.2 28 28 A M E -B 34 0A 56 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.711 22.6-144.4 -94.0 143.9 16.4 -1.6 -3.0 29 29 A T > - 0 0 28 4,-2.7 3,-0.7 -2,-0.3 4,-0.2 -0.521 23.9-114.6 -97.9 171.3 17.1 -1.4 -6.7 30 30 A S T 3 S+ 0 0 119 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.610 109.9 66.0 -78.8 -13.2 19.8 0.5 -8.6 31 31 A L T 3 S- 0 0 133 2,-0.1 -1,-0.2 0, 0.0 -20,-0.1 0.025 123.9 -92.4-100.1 26.1 17.1 2.7 -10.3 32 32 A G S < S+ 0 0 9 -3,-0.7 2,-0.4 1,-0.2 -21,-0.1 0.886 84.2 131.0 68.0 42.0 15.9 4.4 -7.1 33 33 A E - 0 0 24 -4,-0.2 -4,-2.7 -22,-0.1 2,-0.5 -0.957 53.9-138.4-125.7 143.4 13.1 1.9 -6.3 34 34 A M E -BC 28 178A 1 144,-2.7 144,-3.0 -2,-0.4 2,-0.4 -0.878 28.3-155.3 -91.3 133.3 12.0 0.0 -3.2 35 35 A R E -BC 27 177A 72 -8,-2.9 -8,-2.2 -2,-0.5 2,-0.4 -0.938 9.6-160.9-116.2 130.7 11.0 -3.5 -4.1 36 36 A L E -BC 26 176A 0 140,-3.1 140,-1.8 -2,-0.4 -10,-0.4 -0.859 12.2-166.2-102.8 147.4 8.7 -5.8 -2.2 37 37 A S E - C 0 175A 27 -12,-5.1 2,-0.6 -2,-0.4 138,-0.2 -0.997 11.6-153.3-139.3 138.2 8.8 -9.6 -2.9 38 38 A L + 0 0 23 136,-1.3 2,-0.2 -2,-0.4 133,-0.1 -0.935 17.0 172.7-118.0 109.8 6.5 -12.4 -2.0 39 39 A T - 0 0 91 -2,-0.6 -2,-0.0 2,-0.1 9,-0.0 -0.687 58.3 -41.8-157.0 98.5 7.9 -15.9 -1.6 40 40 A S S S+ 0 0 92 -2,-0.2 2,-0.3 132,-0.0 8,-0.1 -0.078 84.1 61.7-166.8 95.9 5.8 -17.6 -0.6 41 41 A P - 0 0 57 0, 0.0 131,-0.6 0, 0.0 2,-0.3 -0.979 48.5 -91.3-164.7 152.2 2.8 -18.0 1.8 42 42 A S S S+ 0 0 86 -2,-0.3 3,-0.0 1,-0.2 129,-0.0 -0.786 71.2 25.3-117.6 162.7 -0.6 -16.7 2.7 43 43 A Y S S- 0 0 74 -2,-0.3 -1,-0.2 1,-0.1 4,-0.1 0.382 73.3-130.0-120.1 126.1 -2.3 -14.9 4.3 44 44 A N + 0 0 19 -3,-0.2 -1,-0.1 2,-0.2 2,-0.1 -0.282 60.0 99.3 -70.6 155.9 -0.6 -11.7 5.4 45 45 A K S S- 0 0 80 3,-0.1 4,-0.1 -3,-0.0 126,-0.0 0.437 120.1 -8.4 -95.0 157.5 -0.0 -10.0 7.7 46 46 A F S S+ 0 0 74 2,-0.2 -2,-0.2 -2,-0.1 4,-0.1 -0.718 123.2 75.1-114.6 45.3 2.7 -10.8 8.5 47 47 A D S S+ 0 0 50 -4,-0.1 2,-0.2 2,-0.1 -3,-0.1 0.327 94.9 61.6 -90.8 5.7 3.1 -13.9 6.3 48 48 A G S S- 0 0 2 -5,-0.1 123,-0.2 -8,-0.1 -2,-0.2 -0.612 101.1 -70.5-119.2 180.0 3.7 -11.7 3.2 49 49 A G E + I 0 170B 1 121,-2.4 121,-2.6 -2,-0.2 2,-0.3 -0.484 62.0 161.9 -70.6 143.6 6.2 -9.1 2.1 50 50 A G E - I 0 169B 0 119,-0.3 -29,-2.0 -28,-0.2 -28,-0.5 -0.928 29.1-170.0-169.3 144.3 6.0 -5.8 3.9 51 51 A N E -HI 20 168B 0 117,-3.2 117,-2.6 -2,-0.3 2,-0.3 -0.919 17.1-174.3-126.3 153.8 7.6 -2.5 4.9 52 52 A Q E -HI 19 167B 31 -33,-2.2 -33,-2.9 -2,-0.3 115,-0.2 -0.993 26.4-103.3-149.8 156.0 6.3 0.1 7.4 53 53 A S E -H 18 0B 0 113,-2.2 -35,-0.3 -2,-0.3 -36,-0.1 -0.423 16.7-142.4 -77.0 152.4 7.1 3.6 8.8 54 54 A V S S+ 0 0 60 -37,-1.4 2,-0.2 -2,-0.1 -1,-0.1 0.884 86.9 51.4 -78.0 -43.6 8.8 4.1 12.1 55 55 A Q S S- 0 0 63 -38,-0.4 111,-0.5 -39,-0.1 2,-0.3 -0.506 86.9-118.5 -90.8 160.3 6.8 7.2 13.0 56 56 A T - 0 0 38 -2,-0.2 -53,-1.9 109,-0.2 -54,-0.8 -0.703 26.7-155.5 -96.8 154.9 3.0 7.5 12.9 57 57 A Y B -N 164 0C 1 107,-3.5 107,-2.3 -2,-0.3 -53,-0.1 -0.926 9.9-174.7-133.9 154.8 1.2 10.0 10.6 58 58 A G - 0 0 2 -55,-0.4 80,-0.2 1,-0.3 104,-0.1 -0.059 49.6 -4.5-123.2-141.6 -2.2 11.7 10.6 59 59 A Y S S+ 0 0 73 102,-0.2 -1,-0.3 -2,-0.1 2,-0.3 -0.240 87.2 80.8 -62.0 146.3 -4.3 14.0 8.4 60 60 A G E S-D 138 0A 0 78,-2.3 78,-2.7 125,-0.2 2,-0.6 -0.903 82.5 -46.6 146.0-176.2 -2.6 15.2 5.2 61 61 A L E -DE 137 184A 15 123,-2.6 123,-2.6 -2,-0.3 2,-0.5 -0.819 44.1-166.6 -95.8 120.6 -1.9 14.2 1.6 62 62 A Y E -DE 136 183A 1 74,-2.8 74,-2.2 -2,-0.6 2,-0.4 -0.942 10.0-178.3-105.6 121.8 -0.4 10.7 1.1 63 63 A E E -DE 135 182A 32 119,-3.2 119,-2.6 -2,-0.5 2,-0.4 -0.973 6.9-177.8-122.9 135.8 1.1 10.1 -2.4 64 64 A V E -DE 134 181A 0 70,-3.1 70,-3.6 -2,-0.4 2,-0.8 -0.989 14.2-160.0-135.0 124.4 2.7 6.9 -3.6 65 65 A N E +DE 133 180A 14 115,-2.7 114,-2.8 -2,-0.4 115,-1.1 -0.886 43.4 140.0-101.8 100.8 4.2 6.4 -7.1 66 66 A M E -DE 132 178A 0 66,-1.5 66,-1.3 -2,-0.8 112,-0.2 -0.800 49.4-136.9-140.1 172.2 4.2 2.6 -7.5 67 67 A K E - 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