==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING MODULE 12-OCT-05 2C3V . COMPND 2 MOLECULE: ALPHA-AMYLASE G-6; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.B.BORASTON,M.HEALEY,J.KLASSEN,E.FICKO-BLEAN, . 188 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 38.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 14 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.9 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+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 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 PARALLEL BRIDGES PER LADDER . 2 7 0 4 1 3 0 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 2 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 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 85 A D 0 0 159 0, 0.0 79,-0.1 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 109.8 22.9 25.9 3.6 2 86 A A + 0 0 42 77,-0.2 51,-0.7 1,-0.1 52,-0.2 0.029 360.0 176.4 -53.7 154.6 24.0 22.3 4.2 3 87 A T + 0 0 63 1,-0.3 51,-0.3 49,-0.2 -1,-0.1 0.525 55.1 57.2-127.0 -79.2 24.6 19.9 1.3 4 88 A D S S- 0 0 70 75,-0.2 76,-2.4 1,-0.1 2,-0.6 -0.159 75.3-127.1 -62.6 155.6 25.8 16.4 2.2 5 89 A I E -Ab 48 80A 0 43,-2.5 43,-3.1 74,-0.2 2,-0.5 -0.905 26.7-172.8-107.2 109.3 23.9 14.2 4.6 6 90 A T E -Ab 47 81A 18 74,-2.7 76,-1.9 -2,-0.6 2,-0.4 -0.924 2.4-172.5-108.9 129.1 26.0 13.0 7.5 7 91 A I E -Ab 46 82A 0 39,-2.6 39,-2.1 -2,-0.5 2,-0.4 -0.985 13.7-163.7-128.2 127.1 24.5 10.4 9.9 8 92 A Y E -Ab 45 83A 16 74,-2.4 76,-2.7 -2,-0.4 2,-0.4 -0.879 17.0-167.5-102.1 138.7 25.9 9.0 13.2 9 93 A Y E -Ab 44 84A 9 35,-2.6 35,-2.4 -2,-0.4 2,-0.6 -0.991 18.9-136.8-136.8 119.8 24.2 5.8 14.3 10 94 A K E +A 43 0A 85 74,-2.5 76,-0.4 -2,-0.4 2,-0.3 -0.683 47.4 139.9 -75.6 119.5 24.4 4.1 17.7 11 95 A T - 0 0 25 31,-2.2 -2,-0.1 -2,-0.6 31,-0.1 -0.987 50.5-155.2-160.2 143.5 24.8 0.3 17.1 12 96 A G + 0 0 78 -2,-0.3 2,-0.2 3,-0.0 -1,-0.1 0.290 60.6 121.8 -95.4 3.0 26.6 -2.7 18.3 13 97 A W - 0 0 71 1,-0.1 -2,-0.1 2,-0.0 50,-0.0 -0.484 57.1-147.7 -63.2 141.2 26.2 -4.5 15.0 14 98 A T S S+ 0 0 114 1,-0.2 -1,-0.1 -2,-0.2 49,-0.1 0.786 94.5 34.0 -81.0 -23.8 29.6 -5.5 13.6 15 99 A H S S+ 0 0 126 47,-0.3 -1,-0.2 2,-0.0 2,-0.1 -0.399 81.5 174.2-125.9 57.3 28.5 -5.1 9.9 16 100 A P - 0 0 8 0, 0.0 19,-2.0 0, 0.0 2,-0.3 -0.358 5.5-175.8 -72.7 144.1 26.0 -2.2 10.0 17 101 A H E -JK 34 61B 30 44,-2.7 44,-2.4 17,-0.3 2,-0.5 -0.955 21.3-137.6-134.6 151.5 24.6 -0.8 6.7 18 102 A I E -JK 33 60B 0 15,-2.6 15,-2.4 -2,-0.3 2,-0.4 -0.962 14.2-167.0-110.5 128.4 22.4 2.0 5.6 19 103 A H E + K 0 59B 31 40,-2.7 40,-2.5 -2,-0.5 2,-0.3 -0.951 28.5 155.7-114.3 128.4 19.7 1.3 3.0 20 104 A Y E - K 0 58B 42 -2,-0.4 8,-2.1 38,-0.2 2,-0.4 -0.980 45.5-135.4-157.6 162.5 18.2 4.5 1.6 21 105 A S E -LK 27 57B 6 36,-2.2 36,-2.2 -2,-0.3 2,-0.5 -0.996 27.4-147.4-124.0 121.6 16.4 6.5 -1.1 22 106 A L E > S- K 0 56B 49 4,-0.6 3,-1.6 -2,-0.4 34,-0.2 -0.850 75.2 -15.1 -96.5 123.2 17.9 10.0 -1.8 23 107 A N T 3 S- 0 0 81 32,-3.3 -1,-0.2 -2,-0.5 33,-0.1 0.827 126.9 -55.5 57.3 37.4 15.4 12.8 -2.8 24 108 A Q T 3 S+ 0 0 197 -3,-0.3 -1,-0.3 31,-0.3 3,-0.1 0.647 109.5 129.7 68.5 21.5 12.7 10.3 -3.6 25 109 A G < - 0 0 38 -3,-1.6 -1,-0.1 1,-0.2 2,-0.1 0.065 65.2 -45.8 -85.3-166.1 14.9 8.4 -6.0 26 110 A A - 0 0 92 1,-0.1 -4,-0.6 -5,-0.1 -1,-0.2 -0.403 59.2-116.1 -63.9 145.2 15.8 4.7 -6.3 27 111 A W B -L 21 0B 101 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.460 35.6 -98.6 -75.8 148.7 16.6 2.8 -3.1 28 112 A T - 0 0 31 -8,-2.1 2,-0.3 -2,-0.1 -1,-0.1 -0.248 43.5 -99.3 -53.1 156.5 20.1 1.3 -2.8 29 113 A T > - 0 0 124 1,-0.1 3,-1.6 -3,-0.1 -1,-0.1 -0.653 68.5 -59.5 -79.9 133.1 20.5 -2.4 -3.6 30 114 A L T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.3 -11,-0.0 -0.277 122.6 23.1 -55.7 144.2 20.5 -4.4 -0.4 31 115 A P T 3 S- 0 0 51 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.995 95.1-155.6 -89.4 3.7 22.2 -4.4 1.9 32 116 A G < - 0 0 17 -3,-1.6 -13,-0.2 -15,-0.1 28,-0.0 -0.664 40.4 -20.8 95.3-160.3 23.2 -0.8 1.2 33 117 A V E -J 18 0B 50 -15,-2.4 -15,-2.6 -2,-0.2 2,-0.0 -0.739 64.9-118.2 -93.0 134.2 26.2 1.2 2.2 34 118 A P E -J 17 0B 77 0, 0.0 2,-0.4 0, 0.0 -17,-0.3 -0.373 19.4-140.1 -68.2 148.6 28.4 0.2 5.1 35 119 A L - 0 0 10 -19,-2.0 2,-0.4 11,-0.1 11,-0.2 -0.888 16.7-141.4-105.3 142.4 28.8 2.6 8.1 36 120 A T E -C 45 0A 103 9,-2.0 9,-2.6 -2,-0.4 -21,-0.0 -0.818 27.0 -94.1-106.4 142.1 32.3 2.9 9.6 37 121 A K E -C 44 0A 171 -2,-0.4 7,-0.3 7,-0.2 2,-0.2 -0.202 35.9-147.1 -56.5 139.3 33.0 3.2 13.3 38 122 A S - 0 0 25 5,-2.8 5,-0.3 2,-0.4 4,-0.2 -0.665 27.2-113.2 -92.7 161.9 33.4 6.7 14.7 39 123 A E S S+ 0 0 191 -2,-0.2 2,-1.0 2,-0.1 -1,-0.1 0.711 100.2 94.7 -71.9 -13.2 35.7 7.5 17.6 40 124 A X S > S- 0 0 149 1,-0.1 3,-2.4 3,-0.1 -2,-0.4 -0.692 95.1-119.8 -71.4 110.8 32.5 8.2 19.5 41 125 A E T 3 S+ 0 0 182 -2,-1.0 -2,-0.1 1,-0.3 3,-0.1 -0.260 93.7 20.7 -61.0 132.1 32.4 4.7 21.0 42 126 A G T 3 S+ 0 0 38 1,-0.3 -31,-2.2 -4,-0.2 2,-0.3 0.325 105.5 103.2 92.4 -8.4 29.3 2.9 20.1 43 127 A X E < -A 10 0A 70 -3,-2.4 -5,-2.8 -5,-0.3 -1,-0.3 -0.829 48.7-165.3-112.0 145.9 28.6 5.1 17.0 44 128 A V E -AC 9 37A 8 -35,-2.4 -35,-2.6 -2,-0.3 2,-0.3 -0.824 14.5-150.9-117.8 163.7 29.1 4.5 13.3 45 129 A K E +AC 8 36A 86 -9,-2.6 -9,-2.0 -2,-0.3 2,-0.3 -0.976 17.2 176.7-139.0 146.7 29.1 7.1 10.6 46 130 A V E -A 7 0A 15 -39,-2.1 -39,-2.6 -2,-0.3 2,-0.4 -0.986 14.2-154.0-142.2 149.3 28.3 7.7 7.0 47 131 A T E -A 6 0A 66 -2,-0.3 2,-0.6 -41,-0.2 -41,-0.2 -0.992 10.2-159.3-120.6 127.8 28.2 10.7 4.7 48 132 A I E -A 5 0A 7 -43,-3.1 -43,-2.5 -2,-0.4 2,-0.2 -0.927 23.3-123.5-108.0 117.3 26.0 10.7 1.6 49 133 A E + 0 0 171 -2,-0.6 2,-0.3 -45,-0.2 -45,-0.1 -0.457 48.7 155.6 -60.0 129.9 26.9 13.1 -1.1 50 134 A A - 0 0 10 -2,-0.2 2,-0.1 4,-0.1 3,-0.1 -0.994 38.0-109.2-156.4 159.2 24.0 15.4 -1.8 51 135 A E > - 0 0 158 -2,-0.3 3,-1.3 1,-0.2 28,-0.1 -0.338 54.2 -69.5 -83.6 167.4 22.8 18.7 -3.1 52 136 A E T 3 S+ 0 0 131 1,-0.3 -1,-0.2 -2,-0.1 -49,-0.2 -0.259 121.3 22.6 -50.5 136.6 21.4 21.7 -1.3 53 137 A G T 3 S+ 0 0 66 -51,-0.7 -1,-0.3 1,-0.2 2,-0.1 0.672 90.7 156.3 75.5 24.7 17.9 21.0 0.0 54 138 A S < - 0 0 5 -3,-1.3 25,-2.2 -51,-0.3 2,-0.3 -0.391 21.6-177.3 -85.2 155.1 18.3 17.2 0.0 55 139 A Q E - M 0 78B 100 23,-0.3 -32,-3.3 -2,-0.1 2,-0.3 -0.992 5.0-164.7-145.1 135.4 16.5 14.7 2.1 56 140 A L E -KM 22 77B 1 21,-2.8 21,-2.4 -2,-0.3 2,-0.4 -0.929 13.8-142.1-119.4 159.4 16.9 10.8 2.3 57 141 A R E +KM 21 76B 86 -36,-2.2 -36,-2.2 -2,-0.3 2,-0.3 -0.971 33.3 178.9-115.4 129.5 14.7 8.1 3.7 58 142 A A E -KM 20 75B 0 17,-2.6 17,-2.8 -2,-0.4 2,-0.3 -0.936 28.2-171.9-138.5 154.0 16.7 5.3 5.4 59 143 A A E -K 19 0B 5 -40,-2.5 -40,-2.7 -2,-0.3 2,-0.3 -0.980 25.1-136.7-136.1 149.6 16.5 2.0 7.3 60 144 A F E -KN 18 68B 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.3 -0.787 21.6-179.0-108.6 147.1 19.5 0.4 8.9 61 145 A N E -KN 17 67B 2 -44,-2.4 -44,-2.7 -2,-0.3 6,-0.2 -0.944 36.9-125.3-143.2 166.4 20.5 -3.3 8.9 62 146 A N - 0 0 35 4,-2.0 -47,-0.3 -2,-0.3 5,-0.1 0.224 59.7-103.0 -95.4 15.1 23.2 -5.7 10.2 63 147 A G S S+ 0 0 30 3,-0.3 4,-0.1 -32,-0.2 -31,-0.1 0.287 112.9 63.6 83.7 -8.6 24.1 -7.0 6.7 64 148 A S S S- 0 0 102 2,-0.2 3,-0.1 -33,-0.1 -1,-0.0 -0.071 123.8 -73.2-140.9 23.9 22.2 -10.2 7.2 65 149 A G S S+ 0 0 44 1,-0.3 2,-0.5 -34,-0.0 -4,-0.0 0.520 86.8 124.4 92.2 8.5 18.6 -9.3 7.6 66 150 A Q - 0 0 115 2,-0.0 -4,-2.0 0, 0.0 2,-0.3 -0.876 45.8-163.0 -94.9 133.5 18.2 -7.7 11.0 67 151 A W E -N 61 0B 110 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.880 34.7-165.0-126.1 152.8 16.6 -4.3 10.7 68 152 A D E +N 60 0B 38 -8,-2.6 -8,-2.5 -2,-0.3 -2,-0.0 -0.919 28.6 155.2-130.3 102.1 16.0 -0.9 12.4 69 153 A N > > - 0 0 66 -2,-0.4 5,-2.7 -10,-0.2 3,-0.8 -0.001 63.4-102.9-121.9 20.0 13.4 0.8 10.3 70 154 A N G > 5S- 0 0 31 1,-0.3 3,-2.2 3,-0.2 -2,-0.1 0.893 80.2 -55.8 60.0 48.0 11.8 3.2 12.9 71 155 A Q G 3 5S- 0 0 166 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.779 107.3 -50.5 51.6 36.0 8.7 0.9 13.3 72 156 A G G < 5S+ 0 0 48 -3,-0.8 -1,-0.3 0, 0.0 -2,-0.2 0.303 126.4 97.1 87.5 -4.6 8.1 1.1 9.6 73 157 A R T < 5S- 0 0 99 -3,-2.2 -3,-0.2 -4,-0.1 -2,-0.1 0.683 76.8-148.3 -79.8 -21.6 8.3 4.9 9.4 74 158 A D < - 0 0 29 -5,-2.7 2,-0.5 -17,-0.1 -15,-0.2 0.011 25.7 -78.5 62.5 167.9 11.9 4.7 8.3 75 159 A Y E -M 58 0B 4 -17,-2.8 -17,-2.6 -3,-0.0 2,-0.5 -0.928 37.4-150.6-105.7 132.3 14.2 7.5 9.2 76 160 A D E +M 57 0B 67 -2,-0.5 2,-0.4 -19,-0.2 -19,-0.2 -0.881 16.3 179.6-104.2 130.1 14.3 10.9 7.4 77 161 A F E -M 56 0B 0 -21,-2.4 -21,-2.8 -2,-0.5 2,-0.2 -0.994 8.4-159.2-133.4 133.1 17.6 12.8 7.3 78 162 A S E -M 55 0B 42 -2,-0.4 -23,-0.3 -23,-0.2 -72,-0.2 -0.480 45.1 -60.4-101.2 171.0 18.1 16.2 5.6 79 163 A S S S+ 0 0 21 -25,-2.2 2,-0.2 -77,-0.2 -74,-0.2 -0.173 106.9 45.5 -43.8 132.0 21.1 18.0 4.3 80 164 A G E S-b 5 0A 16 -76,-2.4 -74,-2.7 -77,-0.1 2,-0.4 -0.732 98.0 -49.6 119.3-166.6 23.3 18.5 7.4 81 165 A V E +b 6 0A 56 -2,-0.2 11,-2.5 -76,-0.2 2,-0.3 -0.868 51.1 169.4-118.2 139.5 24.5 16.3 10.3 82 166 A H E -bD 7 91A 10 -76,-1.9 -74,-2.4 -2,-0.4 2,-0.4 -0.969 22.7-143.8-150.8 149.8 22.4 14.2 12.6 83 167 A T E -bD 8 90A 9 7,-2.7 7,-2.4 -2,-0.3 2,-0.5 -0.995 9.8-164.3-125.3 123.6 22.7 11.5 15.2 84 168 A L E +bD 9 89A 0 -76,-2.7 -74,-2.5 -2,-0.4 2,-0.4 -0.945 15.2 167.7-105.2 126.4 20.4 8.6 15.7 85 169 A A E > - 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