==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (GLUCANASE) 22-DEC-94 1MAC . COMPND 2 MOLECULE: 1,3-1,4-BETA-D-GLUCAN 4-GLUCANOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS MACERANS; . AUTHOR M.HAHN,U.HEINEMANN . 424 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 194 45.8 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 . 3 0.7 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 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 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 0 PARALLEL BRIDGES PER LADDER . 8 1 5 6 6 2 3 5 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 2 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 G 0 0 70 0, 0.0 2,-0.2 0, 0.0 211,-0.1 0.000 360.0 360.0 360.0-138.2 79.6 19.7 19.9 2 2 A S - 0 0 87 208,-0.1 209,-2.9 1,-0.0 2,-0.5 -0.498 360.0-139.1 -77.5 143.5 76.8 20.9 17.5 3 3 A V E -A 210 0A 84 207,-0.2 2,-0.6 -2,-0.2 207,-0.2 -0.905 9.4-158.3-114.4 122.0 75.5 18.5 14.9 4 4 A F E -A 209 0A 39 205,-3.2 205,-2.5 -2,-0.5 2,-0.6 -0.821 18.8-173.5 -91.7 116.6 74.6 19.4 11.3 5 5 A W E -A 208 0A 129 -2,-0.6 203,-0.2 203,-0.2 -2,-0.0 -0.944 5.0-178.9-118.2 106.1 72.2 16.6 10.3 6 6 A E E -A 207 0A 16 201,-3.0 201,-2.6 -2,-0.6 -2,-0.0 -0.935 10.3-179.4-110.7 110.2 71.3 16.7 6.6 7 7 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 201,-0.1 0.386 33.9-134.4 -89.6 0.7 68.9 14.0 5.5 8 8 A L + 0 0 0 1,-0.1 3,-0.1 2,-0.1 196,-0.1 0.855 55.4 142.5 49.8 46.3 68.7 15.1 1.8 9 9 A S S S- 0 0 63 1,-0.3 2,-0.3 30,-0.1 34,-0.2 0.795 70.2 -11.1 -85.9 -31.4 65.0 14.8 1.6 10 10 A Y S S- 0 0 129 33,-0.1 2,-0.5 28,-0.0 -1,-0.3 -0.968 86.1 -74.8-159.3 166.2 64.5 17.9 -0.6 11 11 A F - 0 0 66 -2,-0.3 28,-0.0 -3,-0.1 3,-0.0 -0.568 40.9-171.9 -73.4 116.4 66.3 20.8 -2.0 12 12 A N >> - 0 0 15 -2,-0.5 4,-2.3 1,-0.1 3,-1.6 -0.893 8.3-164.2-113.2 100.3 66.8 23.4 0.8 13 13 A P T 34 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.602 82.7 65.5 -60.0 -13.3 68.2 26.6 -0.8 14 14 A S T 34 S+ 0 0 18 1,-0.1 3,-0.1 -3,-0.0 349,-0.0 0.765 117.5 23.2 -80.0 -29.5 69.2 28.1 2.6 15 15 A T T <4 S+ 0 0 18 -3,-1.6 50,-2.0 1,-0.2 51,-0.5 0.598 124.7 41.4-110.1 -24.7 71.8 25.4 3.2 16 16 A W E < -H 64 0B 2 -4,-2.3 2,-0.4 48,-0.2 48,-0.2 -0.947 53.6-164.1-130.3 157.0 72.6 24.1 -0.3 17 17 A E E -H 63 0B 73 46,-2.6 46,-2.5 -2,-0.3 2,-0.5 -0.992 18.2-134.9-136.2 140.5 73.3 25.3 -3.8 18 18 A K E -H 62 0B 59 -2,-0.4 44,-0.2 44,-0.2 16,-0.2 -0.845 24.1-126.2 -91.0 121.3 73.3 23.4 -7.1 19 19 A A + 0 0 6 42,-2.0 2,-0.3 -2,-0.5 42,-0.3 -0.330 41.8 177.6 -60.0 143.6 76.2 24.2 -9.4 20 20 A D + 0 0 93 13,-0.2 13,-0.3 14,-0.1 12,-0.1 -0.994 39.0 9.9-157.2 151.4 74.9 25.2 -12.8 21 21 A G S S+ 0 0 46 11,-1.1 2,-0.3 -2,-0.3 12,-0.2 0.647 100.0 78.8 62.0 27.0 75.7 26.4 -16.3 22 22 A Y B -N 32 0C 91 10,-1.0 10,-3.6 3,-0.0 2,-0.4 -0.987 62.0-131.1-158.9 167.3 79.5 25.9 -16.2 23 23 A S - 0 0 50 -2,-0.3 8,-0.1 8,-0.3 3,-0.1 -0.922 15.5-142.6-121.9 139.6 82.5 23.7 -16.3 24 24 A N - 0 0 72 6,-0.5 3,-0.1 -2,-0.4 7,-0.1 0.617 44.8-154.2 -70.8 -12.8 85.4 23.5 -14.0 25 25 A G > + 0 0 31 5,-0.3 3,-1.2 3,-0.3 2,-0.2 0.043 56.9 71.1 61.3-175.7 87.5 22.9 -17.2 26 26 A G T 3 S- 0 0 74 1,-0.3 -1,-0.2 -3,-0.1 159,-0.1 -0.519 119.9 -4.5 75.0-135.0 90.8 21.0 -16.9 27 27 A V T 3 S+ 0 0 47 -2,-0.2 158,-1.7 -3,-0.1 2,-0.8 0.764 115.5 98.8 -63.6 -20.5 90.4 17.2 -16.2 28 28 A F B < -Q 184 0D 45 -3,-1.2 2,-0.3 156,-0.2 -3,-0.3 -0.572 52.3-176.2 -72.1 111.1 86.6 17.9 -15.9 29 29 A N + 0 0 69 154,-2.3 2,-0.3 -2,-0.8 28,-0.2 -0.265 55.4 61.5 -99.7 42.2 85.0 17.0 -19.2 30 30 A a S S- 0 0 7 -2,-0.3 -6,-0.5 26,-0.1 2,-0.4 -0.993 74.1-112.4-162.5 161.9 81.4 18.1 -18.5 31 31 A T E - o 0 58C 43 26,-2.2 28,-2.3 -2,-0.3 2,-0.3 -0.871 32.9-119.6-104.8 132.1 79.2 21.0 -17.6 32 32 A W E -No 22 59C 1 -10,-3.6 -11,-1.1 -2,-0.4 -10,-1.0 -0.559 33.5-170.1 -68.8 129.9 77.5 21.3 -14.2 33 33 A R > - 0 0 89 26,-2.3 3,-2.2 -2,-0.3 -13,-0.2 -0.977 27.6-147.7-123.7 130.2 73.7 21.3 -14.6 34 34 A A G > S+ 0 0 24 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.805 100.0 67.1 -59.6 -25.4 71.2 22.1 -11.9 35 35 A N G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.0 25,-0.1 0.596 90.2 63.0 -72.7 -7.6 68.9 19.7 -13.7 36 36 A N G < S+ 0 0 17 -3,-2.2 12,-2.2 23,-0.2 2,-0.7 0.363 82.7 90.3 -98.2 4.3 71.2 16.8 -12.8 37 37 A V E < +B 47 0A 0 -3,-1.8 2,-0.3 10,-0.2 10,-0.2 -0.899 59.8 161.1-100.8 102.2 70.6 17.4 -9.1 38 38 A N E -B 46 0A 76 8,-3.2 8,-3.8 -2,-0.7 2,-0.4 -0.804 34.1-140.0-124.4 169.5 67.6 15.3 -8.1 39 39 A F E -B 45 0A 50 -2,-0.3 6,-0.2 6,-0.3 -30,-0.1 -0.986 21.7-134.2-126.5 126.4 65.9 13.7 -5.0 40 40 A T > - 0 0 28 4,-2.8 3,-1.5 -2,-0.4 4,-0.1 -0.263 29.7-104.7 -73.1 171.7 64.4 10.3 -4.9 41 41 A N T 3 S+ 0 0 162 1,-0.3 -1,-0.1 2,-0.1 -32,-0.0 0.712 121.4 50.2 -71.6 -21.2 61.0 9.5 -3.4 42 42 A D T 3 S- 0 0 92 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.044 129.3 -90.1-109.6 30.0 62.6 8.0 -0.4 43 43 A G S < S+ 0 0 11 -3,-1.5 2,-0.4 -34,-0.2 -2,-0.1 0.921 73.4 142.8 65.7 60.8 64.9 10.9 0.2 44 44 A K - 0 0 34 -35,-0.2 -4,-2.8 -4,-0.1 2,-0.5 -0.958 51.8-123.3-124.6 136.5 68.1 10.3 -1.6 45 45 A L E -BC 39 204A 0 159,-3.0 159,-2.9 -2,-0.4 2,-0.5 -0.774 30.6-158.6 -72.6 123.2 70.3 13.0 -3.4 46 46 A K E -BC 38 203A 63 -8,-3.8 -8,-3.2 -2,-0.5 2,-0.5 -0.975 6.7-166.9-113.8 102.5 70.5 11.7 -6.9 47 47 A L E -BC 37 202A 0 155,-2.3 155,-1.9 -2,-0.5 2,-0.4 -0.809 15.3-157.2 -88.6 122.5 73.5 13.1 -8.8 48 48 A G E - C 0 201A 2 -12,-2.2 2,-0.6 -2,-0.5 153,-0.2 -0.951 17.8-158.6-123.2 135.2 73.2 12.4 -12.6 49 49 A L E + C 0 200A 0 151,-3.2 151,-1.8 -2,-0.4 2,-0.2 -0.889 30.7 162.1-106.7 107.7 75.7 12.1 -15.4 50 50 A T E -P 58 0C 28 8,-3.1 8,-3.1 -2,-0.6 2,-0.5 -0.723 40.3-133.6-124.4 171.9 74.1 12.6 -18.9 51 51 A S E + 0 0 30 6,-0.3 6,-0.2 -2,-0.2 147,-0.0 -0.913 23.2 171.7-130.8 97.1 74.9 13.4 -22.5 52 52 A S E S+ 0 0 85 -2,-0.5 2,-0.3 4,-0.2 5,-0.1 0.325 73.4 33.0 -95.4 9.8 72.4 15.9 -23.8 53 53 A A E > S-P 56 0C 35 3,-0.9 3,-1.4 1,-0.2 5,-0.1 -0.939 103.2 -88.7-156.0 151.9 74.3 16.3 -27.0 54 54 A Y T 3 S+ 0 0 199 -2,-0.3 -1,-0.2 1,-0.3 0, 0.0 0.890 120.4 2.0 -36.3 -77.8 76.4 13.8 -29.1 55 55 A N T 3 S+ 0 0 88 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.070 110.8 109.0-106.2 35.5 79.8 14.2 -27.4 56 56 A K E < - P 0 53C 100 -3,-1.4 -3,-0.9 -26,-0.0 2,-0.5 -0.888 54.3-154.0-107.2 134.6 78.6 16.7 -24.9 57 57 A F E - 0 0 30 -2,-0.4 -26,-2.2 -6,-0.2 2,-0.5 -0.942 8.0-157.6-119.7 129.1 78.3 15.7 -21.3 58 58 A D E +oP 31 50C 23 -8,-3.1 -8,-3.1 -2,-0.5 -26,-0.2 -0.844 22.6 173.3-104.1 123.5 76.2 17.0 -18.4 59 59 A a E -o 32 0C 0 -28,-2.3 -26,-2.3 -2,-0.5 2,-0.4 -0.526 18.5-121.1-122.5-175.8 77.4 16.4 -14.8 60 60 A A E + I 0 181B 0 121,-1.6 121,-2.0 -28,-0.2 2,-0.4 -0.976 20.4 171.6-145.7 138.4 76.4 17.3 -11.2 61 61 A E E - I 0 180B 7 -2,-0.4 -42,-2.0 -42,-0.3 2,-0.4 -1.000 8.0-169.0-142.1 137.4 77.7 19.0 -8.1 62 62 A Y E +HI 18 179B 1 117,-3.2 117,-1.9 -2,-0.4 2,-0.4 -0.989 17.7 178.7-123.0 128.5 75.9 19.9 -4.8 63 63 A R E -HI 17 178B 41 -46,-2.5 -46,-2.6 -2,-0.4 115,-0.2 -0.974 29.4 -98.7-143.5 159.2 77.5 22.1 -2.3 64 64 A S E -H 16 0B 0 113,-2.7 -48,-0.2 -2,-0.4 112,-0.1 -0.183 12.6-152.4 -67.1 142.9 77.1 23.8 1.1 65 65 A T S S+ 0 0 46 -50,-2.0 -49,-0.1 2,-0.0 -1,-0.1 0.777 83.9 52.1 -83.9 -27.1 76.2 27.5 1.4 66 66 A N S S- 0 0 64 -51,-0.5 111,-0.4 109,-0.0 2,-0.3 -0.377 83.4-117.6-100.3 176.9 78.0 27.6 4.8 67 67 A I - 0 0 78 109,-0.1 2,-0.3 -2,-0.1 109,-0.2 -0.865 20.8-160.5-122.4 151.6 81.4 26.6 5.9 68 68 A Y B -R 175 0E 29 107,-2.3 107,-1.8 -2,-0.3 3,-0.1 -0.886 3.3-167.1-130.9 157.4 82.6 24.1 8.4 69 69 A G - 0 0 22 1,-0.3 80,-0.1 -2,-0.3 -1,-0.1 -0.036 49.9 -9.6-118.7-141.8 85.8 23.4 10.5 70 70 A Y S S+ 0 0 65 102,-0.1 142,-0.7 -2,-0.1 -1,-0.3 -0.159 87.0 70.9 -60.3 152.9 87.3 20.6 12.6 71 71 A G E S-DE 149 211A 0 78,-2.4 78,-3.4 140,-0.2 2,-0.5 -0.936 80.4 -33.0 142.4-169.8 85.2 17.6 13.5 72 72 A L E -DE 148 210A 46 138,-2.0 138,-2.6 -2,-0.3 2,-0.5 -0.792 42.4-169.5 -98.3 125.1 83.6 14.5 12.2 73 73 A Y E +DE 147 209A 0 74,-2.3 74,-1.7 -2,-0.5 2,-0.4 -0.962 11.4 174.4-115.4 118.9 82.2 14.2 8.7 74 74 A E E +DE 146 208A 42 134,-2.1 134,-2.1 -2,-0.5 2,-0.4 -0.941 5.9 177.2-125.8 150.2 80.1 11.2 7.8 75 75 A V E -DE 145 207A 0 70,-2.2 70,-2.6 -2,-0.4 2,-0.6 -0.991 21.8-145.6-147.5 146.3 78.1 10.4 4.7 76 76 A S E +DE 144 206A 9 130,-2.1 129,-2.6 -2,-0.4 130,-0.8 -0.980 42.1 157.8-114.5 114.5 76.2 7.4 3.7 77 77 A M E -DE 143 204A 0 66,-1.9 66,-1.5 -2,-0.6 127,-0.2 -0.941 44.1-147.6-146.3 170.9 76.5 6.9 -0.1 78 78 A K E - 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M 0 133B 72 -3,-2.1 2,-0.3 18,-0.2 -6,-0.2 -0.891 69.0-146.2-132.7 159.6 88.3 0.4 -3.8 116 116 A V E - M 0 132B 2 16,-1.7 16,-2.4 -2,-0.3 2,-0.5 -0.946 11.5-141.3-124.3 155.5 88.2 3.9 -2.3 117 117 A Q E -LM 107 131B 10 -10,-3.2 -10,-2.1 -2,-0.3 2,-0.3 -0.953 13.6-166.9-119.4 119.5 90.7 6.8 -2.7 118 118 A F E +LM 106 130B 0 12,-3.0 12,-2.1 -2,-0.5 2,-0.2 -0.723 21.3 146.9 -97.5 151.9 91.6 9.0 0.2 119 119 A N E -L 105 0B 2 -14,-1.0 -14,-2.8 -2,-0.3 2,-0.3 -0.920 24.5-154.2-174.0 159.3 93.6 12.4 -0.3 120 120 A Y E -L 104 0B 9 -2,-0.2 2,-0.4 -16,-0.2 -16,-0.2 -0.997 7.3-147.7-147.6 148.6 94.1 16.0 0.9 121 121 A Y E -L 103 0B 54 -18,-2.4 -18,-3.2 -2,-0.3 2,-0.4 -0.923 12.6-179.8-114.7 133.6 95.2 19.4 -0.3 122 122 A T B > S-S 125 0F 19 3,-1.5 3,-1.9 -2,-0.4 -20,-0.2 -0.984 78.5 -16.8-134.9 114.0 97.0 21.9 1.9 123 123 A N T 3 S- 0 0 92 -2,-0.4 -21,-0.2 1,-0.3 3,-0.1 0.845 129.2 -51.5 49.9 46.9 97.9 25.2 0.3 124 124 A G T 3 S+ 0 0 39 -23,-2.4 2,-0.6 1,-0.2 -1,-0.3 0.420 113.1 118.8 76.0 3.2 97.5 23.8 -3.2 125 125 A V B < +S 122 0F 93 -3,-1.9 -3,-1.5 -24,-0.3 -1,-0.2 -0.843 28.1 143.2-107.6 131.9 99.7 20.8 -2.5 126 126 A G + 0 0 18 -2,-0.6 -5,-0.1 -5,-0.2 -1,-0.1 0.117 19.1 133.3-125.4-124.5 98.5 17.3 -2.7 127 127 A G + 0 0 56 1,-0.1 -1,-0.1 -2,-0.0 -6,-0.1 0.971 44.4 124.6 65.0 54.2 99.8 14.0 -3.8 128 128 A H + 0 0 58 -8,-0.1 -10,-0.1 2,-0.0 -1,-0.1 0.084 33.9 157.8-124.1 15.1 98.6 12.2 -0.7 129 129 A E - 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