==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (GLUCANASE) 25-AUG-95 1GBG . COMPND 2 MOLECULE: (1,3-1,4)-BETA-D-GLUCAN 4 GLUCANOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR M.HAHN,U.HEINEMANN . 214 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 44.9 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 18 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 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 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 3 2 3 1 1 3 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 1 0 0 1 1 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 93 0, 0.0 69,-0.1 0, 0.0 67,-0.0 0.000 360.0 360.0 360.0 148.4 16.0 4.8 -3.0 2 2 A T + 0 0 103 67,-0.4 2,-0.3 2,-0.1 68,-0.2 0.569 360.0 73.1-103.6 -16.2 16.2 1.2 -4.1 3 3 A G - 0 0 8 66,-2.6 68,-0.3 3,-0.0 2,-0.2 -0.706 57.8-160.5-106.2 157.0 18.7 1.5 -6.9 4 4 A G - 0 0 37 -2,-0.3 207,-0.1 1,-0.2 64,-0.1 -0.542 44.1 -52.0-119.1-175.2 22.4 2.1 -7.0 5 5 A S + 0 0 72 -2,-0.2 2,-0.3 205,-0.1 -1,-0.2 -0.208 64.3 165.1 -58.2 150.4 25.0 3.2 -9.6 6 6 A F E -A 211 0A 31 205,-2.0 205,-2.2 -3,-0.1 2,-0.5 -0.988 33.9-139.7-166.0 157.7 24.9 1.4 -12.9 7 7 A Y E -A 210 0A 119 -2,-0.3 203,-0.2 203,-0.2 -2,-0.0 -0.994 15.9-165.1-126.7 122.8 26.0 1.5 -16.5 8 8 A E E +A 209 0A 7 201,-3.4 201,-2.1 -2,-0.5 -2,-0.0 -0.907 15.5 170.8-114.4 105.6 23.6 0.4 -19.2 9 9 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 201,-0.0 0.559 44.0-127.4 -87.7 -9.4 25.2 -0.3 -22.6 10 10 A F + 0 0 0 2,-0.1 3,-0.1 199,-0.1 -2,-0.1 0.935 59.9 142.9 62.5 49.7 22.1 -1.8 -24.1 11 11 A N S S- 0 0 128 1,-0.2 2,-0.3 34,-0.1 34,-0.1 0.580 79.7 -4.3 -89.7 -15.1 23.6 -5.1 -25.3 12 12 A N S S- 0 0 99 33,-0.1 2,-0.9 2,-0.0 -1,-0.2 -0.917 89.1 -86.1-161.9 174.6 20.4 -6.8 -24.3 13 13 A Y - 0 0 45 -2,-0.3 2,-1.0 -3,-0.1 28,-0.0 -0.848 40.8-151.3-100.3 102.8 17.1 -5.9 -22.7 14 14 A N >> - 0 0 60 -2,-0.9 4,-2.7 1,-0.2 3,-1.4 -0.615 13.4-172.9 -79.3 99.7 17.7 -6.2 -18.9 15 15 A T T 34 S+ 0 0 114 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.0 0.546 83.3 65.2 -68.0 -6.1 14.4 -7.1 -17.3 16 16 A G T 34 S+ 0 0 42 1,-0.1 -1,-0.3 3,-0.0 51,-0.1 0.740 115.2 27.3 -86.8 -23.5 16.0 -6.7 -13.9 17 17 A L T <4 S+ 0 0 25 -3,-1.4 50,-2.4 1,-0.1 51,-0.4 0.734 123.4 40.0-104.1 -34.4 16.6 -3.0 -14.5 18 18 A W E < -H 66 0B 3 -4,-2.7 2,-0.3 48,-0.3 48,-0.2 -0.843 49.4-173.9-126.4 162.2 13.7 -2.1 -16.9 19 19 A Q E -H 65 0B 82 46,-2.4 46,-2.7 -2,-0.3 2,-0.4 -0.980 23.9-123.7-146.1 150.1 10.1 -2.7 -17.8 20 20 A K E -H 64 0B 76 -2,-0.3 44,-0.2 44,-0.2 2,-0.2 -0.818 19.6-125.6-102.7 137.1 7.9 -1.6 -20.7 21 21 A A + 0 0 3 42,-2.6 2,-0.3 -2,-0.4 42,-0.3 -0.532 40.4 176.4 -74.1 141.4 4.6 0.3 -20.4 22 22 A D + 0 0 91 -2,-0.2 13,-0.3 13,-0.2 3,-0.1 -0.961 38.7 12.8-156.5 139.5 1.8 -1.4 -22.1 23 23 A G S S+ 0 0 47 11,-2.3 2,-0.3 -2,-0.3 12,-0.1 0.696 97.1 70.9 81.2 23.1 -1.9 -1.3 -22.8 24 24 A Y B -N 34 0C 94 10,-0.6 10,-2.5 3,-0.0 2,-0.3 -0.988 66.2-123.5-162.3 162.5 -3.0 2.1 -21.8 25 25 A S - 0 0 50 -2,-0.3 8,-0.2 8,-0.2 3,-0.1 -0.840 18.8-134.6-109.9 146.3 -2.8 5.8 -22.7 26 26 A N - 0 0 59 6,-0.5 2,-0.2 -2,-0.3 -1,-0.1 0.783 45.4-153.0 -69.2 -23.5 -1.5 8.5 -20.3 27 27 A G > + 0 0 29 3,-0.4 3,-2.8 5,-0.3 -1,-0.2 -0.518 59.4 68.5 85.1-156.4 -4.5 10.5 -21.3 28 28 A N T 3 S- 0 0 141 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 -0.165 122.4 -4.4 44.5-117.8 -4.5 14.2 -21.3 29 29 A M T 3 S+ 0 0 54 -3,-0.1 158,-1.6 157,-0.1 2,-0.7 0.515 109.5 102.4 -82.7 -4.6 -2.2 15.5 -24.0 30 30 A F B < -Q 186 0D 26 -3,-2.8 -3,-0.4 156,-0.2 2,-0.3 -0.712 48.3-173.3 -84.2 115.0 -1.0 12.1 -25.0 31 31 A N + 0 0 76 154,-2.3 2,-0.3 -2,-0.7 28,-0.2 -0.305 59.2 64.1-102.3 48.6 -2.6 11.0 -28.2 32 32 A a S S- 0 0 6 -2,-0.3 -6,-0.5 -5,-0.1 2,-0.4 -0.972 74.8-116.5-160.6 161.8 -1.3 7.5 -28.4 33 33 A T E - o 0 60C 38 26,-2.1 28,-2.8 -2,-0.3 -8,-0.2 -0.909 30.4-119.4-109.6 133.8 -1.4 4.1 -26.5 34 34 A W E -No 24 61C 1 -10,-2.5 -11,-2.3 -2,-0.4 -10,-0.6 -0.511 34.3-176.9 -71.5 135.9 1.7 2.6 -24.9 35 35 A R > - 0 0 87 26,-2.1 3,-2.2 -13,-0.3 28,-0.2 -0.999 32.9-137.0-138.4 134.8 2.6 -0.8 -26.3 36 36 A A G > S+ 0 0 30 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.801 105.2 64.5 -57.8 -32.0 5.4 -3.2 -25.3 37 37 A N G 3 S+ 0 0 147 1,-0.3 -1,-0.3 24,-0.1 25,-0.1 0.636 89.6 69.2 -68.3 -11.1 6.1 -3.8 -29.0 38 38 A N G < S+ 0 0 7 -3,-2.2 12,-2.2 23,-0.3 2,-0.5 0.323 89.9 67.9 -89.7 7.6 7.1 -0.2 -29.2 39 39 A V E < S+B 49 0A 1 -3,-1.6 2,-0.3 10,-0.2 10,-0.2 -0.987 70.2 148.2-125.7 113.7 10.2 -0.8 -27.1 40 40 A S E -B 48 0A 33 8,-2.7 8,-3.8 -2,-0.5 2,-0.3 -0.959 42.7-112.4-147.8 166.7 12.9 -2.9 -28.8 41 41 A M E -B 47 0A 58 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.792 26.3-141.9-101.3 142.0 16.6 -3.6 -29.2 42 42 A T > - 0 0 31 4,-2.7 3,-1.5 -2,-0.3 4,-0.4 -0.567 24.0-116.6 -96.8 163.7 18.6 -3.0 -32.3 43 43 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.795 113.4 65.3 -68.8 -23.8 21.3 -5.2 -33.7 44 44 A L T 3 S- 0 0 142 2,-0.1 -1,-0.3 1,-0.1 -33,-0.0 0.287 124.2 -98.4 -81.0 11.6 23.7 -2.3 -33.2 45 45 A G S < S+ 0 0 14 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.938 81.4 125.9 73.9 47.7 23.3 -2.4 -29.4 46 46 A E - 0 0 24 -4,-0.4 -4,-2.7 -35,-0.1 2,-0.5 -0.964 59.0-125.8-135.9 154.0 20.7 0.3 -29.0 47 47 A M E -BC 41 206A 0 159,-2.9 159,-2.9 -2,-0.3 2,-0.4 -0.855 31.7-159.6 -97.7 133.0 17.3 0.6 -27.3 48 48 A R E -BC 40 205A 72 -8,-3.8 -8,-2.7 -2,-0.5 2,-0.4 -0.956 11.7-163.5-121.5 135.4 14.7 1.9 -29.8 49 49 A L E -BC 39 204A 0 155,-2.6 155,-1.8 -2,-0.4 2,-0.3 -0.883 18.7-161.3-108.5 139.4 11.4 3.5 -29.0 50 50 A S E - C 0 203A 7 -12,-2.2 2,-0.5 -2,-0.4 153,-0.2 -0.942 22.1-150.7-132.1 155.9 8.9 3.8 -31.9 51 51 A L E + C 0 202A 0 151,-2.2 151,-1.6 -2,-0.3 2,-0.3 -0.985 36.0 161.2-117.8 112.8 5.7 5.7 -32.9 52 52 A T E -P 60 0C 40 8,-2.3 8,-3.8 -2,-0.5 -14,-0.0 -0.803 33.7-129.5-130.2 171.3 3.5 3.6 -35.1 53 53 A S E - 0 0 47 -2,-0.3 6,-0.2 6,-0.3 3,-0.1 -0.982 13.6-177.5-129.4 119.8 -0.1 3.4 -36.3 54 54 A P E S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.655 73.9 -5.8 -87.0 -20.0 -2.3 0.3 -36.2 55 55 A S E > S-P 58 0C 55 3,-0.6 3,-2.1 0, 0.0 0, 0.0 -0.965 102.0 -39.8-163.1 174.3 -5.3 1.8 -37.9 56 56 A Y T 3 S- 0 0 211 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.182 121.6 -14.3 -48.8 120.2 -6.8 5.0 -39.2 57 57 A N T 3 S+ 0 0 111 1,-0.2 2,-0.4 141,-0.1 -1,-0.3 0.722 108.7 116.7 56.9 25.8 -6.0 8.0 -37.0 58 58 A K E < - P 0 55C 135 -3,-2.1 -3,-0.6 140,-0.1 2,-0.4 -0.958 47.1-157.8-122.6 141.2 -4.8 5.8 -34.1 59 59 A F E - 0 0 15 -2,-0.4 -26,-2.1 -6,-0.2 2,-0.4 -0.959 12.0-155.7-130.0 147.4 -1.3 5.7 -32.7 60 60 A D E -oP 33 52C 20 -8,-3.8 -8,-2.3 -2,-0.4 2,-0.3 -0.930 22.0-179.2-113.9 133.7 0.9 3.4 -30.7 61 61 A a E -o 34 0C 0 -28,-2.8 -26,-2.1 -2,-0.4 2,-0.4 -0.816 18.0-120.0-131.0 170.9 3.8 4.7 -28.7 62 62 A G E + I 0 183B 0 121,-1.0 121,-1.7 -2,-0.3 2,-0.3 -0.917 20.5 174.8-123.7 146.1 6.6 3.5 -26.4 63 63 A E E - I 0 182B 3 -2,-0.4 -42,-2.6 -42,-0.3 2,-0.4 -0.962 7.8-168.2-146.5 123.1 7.8 4.1 -22.9 64 64 A N E -HI 20 181B 0 117,-2.4 117,-2.3 -2,-0.3 2,-0.3 -0.906 13.9-178.5-109.9 136.4 10.6 2.4 -21.0 65 65 A R E -HI 19 180B 49 -46,-2.7 -46,-2.4 -2,-0.4 115,-0.2 -0.986 26.1-109.3-140.0 150.2 10.9 2.7 -17.2 66 66 A S E -H 18 0B 0 113,-2.3 -48,-0.3 -2,-0.3 -49,-0.1 -0.309 15.4-139.5 -72.7 157.0 13.3 1.6 -14.5 67 67 A V S S+ 0 0 61 -50,-2.4 2,-0.2 -51,-0.1 -49,-0.1 0.821 84.4 42.9 -84.4 -36.0 12.3 -1.1 -11.9 68 68 A Q S S- 0 0 49 -51,-0.4 111,-0.5 -64,-0.1 2,-0.3 -0.486 85.9-106.7-104.1 178.3 14.0 0.7 -9.0 69 69 A T - 0 0 35 -2,-0.2 -66,-2.6 109,-0.1 -67,-0.4 -0.775 26.2-155.6-106.8 150.6 14.1 4.3 -7.8 70 70 A Y B -R 177 0E 1 107,-2.7 107,-1.8 -2,-0.3 3,-0.1 -0.963 8.8-174.3-130.2 144.1 17.1 6.6 -7.9 71 71 A G - 0 0 5 -2,-0.4 80,-0.2 1,-0.3 104,-0.1 0.016 49.5 -7.2-110.6-145.6 18.1 9.7 -5.9 72 72 A Y S S+ 0 0 62 102,-0.1 142,-1.3 78,-0.1 -1,-0.3 -0.157 88.3 74.6 -54.8 145.4 20.8 12.3 -6.0 73 73 A G E S-DE 151 213A 0 78,-2.1 78,-2.5 140,-0.2 2,-0.5 -0.891 80.9 -40.4 144.6-173.6 23.6 11.9 -8.4 74 74 A L E -DE 150 212A 46 138,-1.9 138,-2.8 -2,-0.3 2,-0.5 -0.790 43.0-165.6 -94.9 126.2 24.6 12.2 -12.1 75 75 A Y E -DE 149 211A 0 74,-2.2 74,-1.8 -2,-0.5 2,-0.4 -0.958 10.5-176.0-113.8 119.0 22.3 11.0 -14.8 76 76 A E E +DE 148 210A 32 134,-3.1 134,-2.4 -2,-0.5 2,-0.4 -0.939 8.6 179.6-122.5 141.7 23.7 10.5 -18.3 77 77 A V E -DE 147 209A 0 70,-2.8 70,-3.3 -2,-0.4 2,-0.7 -0.990 15.1-159.6-141.6 129.1 22.1 9.5 -21.5 78 78 A N E +DE 146 208A 16 130,-2.6 129,-2.6 -2,-0.4 130,-1.2 -0.937 43.5 137.2-106.8 110.8 23.6 9.1 -25.0 79 79 A M E -DE 145 206A 0 66,-1.9 66,-1.4 -2,-0.7 127,-0.2 -0.913 50.8-136.8-150.2 177.6 20.8 9.4 -27.5 80 80 A K E - 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