==== 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 2C3X . COMPND 2 MOLECULE: ALPHA-AMYLASE G-6; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.B.BORASTON,M.HEALEY,J.KLASSEN,E.FICKO-BLEAN, . 187 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 61.0 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 . 70 37.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 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 . 15 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.0 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+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 6 0 4 0 4 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 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 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 10 A T 0 0 98 0, 0.0 51,-0.3 0, 0.0 76,-0.1 0.000 360.0 360.0 360.0 -65.6 -0.1 60.4 55.1 2 11 A D - 0 0 62 75,-0.2 76,-3.1 45,-0.1 2,-0.7 -0.380 360.0-114.6 -71.2 159.4 2.3 57.5 55.9 3 12 A I E -Ab 46 78A 0 43,-3.3 43,-3.8 74,-0.3 2,-0.5 -0.858 34.5-171.6 -95.5 109.8 3.3 57.1 59.6 4 13 A T E -Ab 45 79A 23 74,-3.0 76,-1.4 -2,-0.7 2,-0.4 -0.921 3.1-169.8-108.0 132.5 7.1 57.7 59.9 5 14 A I E -Ab 44 80A 0 39,-3.0 39,-1.9 -2,-0.5 2,-0.4 -0.970 18.3-168.5-128.9 129.8 8.9 56.9 63.1 6 15 A Y E -Ab 43 81A 17 74,-3.0 76,-3.1 -2,-0.4 2,-0.4 -0.942 19.2-170.0-105.5 133.2 12.3 57.7 64.5 7 16 A Y E -Ab 42 82A 10 35,-3.0 35,-3.0 -2,-0.4 2,-0.4 -0.996 17.4-135.4-132.1 129.6 12.9 55.7 67.7 8 17 A K E +A 41 0A 84 74,-2.5 2,-0.3 -2,-0.4 76,-0.2 -0.747 46.6 130.4 -88.8 129.3 15.9 56.2 70.0 9 18 A T - 0 0 28 31,-2.2 -2,-0.1 -2,-0.4 31,-0.0 -0.952 54.9-145.3-173.6 153.0 17.6 53.0 71.1 10 19 A G + 0 0 76 -2,-0.3 -1,-0.1 31,-0.0 31,-0.1 0.483 64.7 121.0 -99.1 -13.4 20.8 51.0 71.5 11 20 A W - 0 0 64 1,-0.1 -2,-0.1 2,-0.1 50,-0.1 -0.164 57.3-146.5 -50.3 143.1 19.1 47.7 70.7 12 21 A T S S+ 0 0 126 1,-0.2 -1,-0.1 48,-0.1 49,-0.1 0.800 92.8 31.6 -93.4 -30.1 20.7 46.0 67.7 13 22 A H S S+ 0 0 140 47,-0.3 -1,-0.2 2,-0.0 21,-0.1 -0.463 83.6 178.3-117.0 62.8 17.7 44.3 66.2 14 23 A P - 0 0 4 0, 0.0 19,-2.2 0, 0.0 2,-0.3 -0.331 4.9-170.7 -63.7 140.2 14.9 46.8 67.2 15 24 A H E -EF 32 59B 29 44,-2.5 44,-2.6 17,-0.3 2,-0.5 -0.977 19.7-146.3-129.5 147.4 11.3 46.0 66.0 16 25 A I E -EF 31 58B 0 15,-2.5 15,-2.3 -2,-0.3 2,-0.5 -0.956 15.1-167.2-105.9 128.7 8.0 47.9 66.1 17 26 A H E + F 0 57B 23 40,-2.9 40,-2.3 -2,-0.5 2,-0.3 -0.984 24.9 162.6-118.6 121.8 5.1 45.6 66.6 18 27 A Y E - F 0 56B 6 -2,-0.5 8,-2.2 38,-0.2 2,-0.5 -0.911 43.9-133.7-142.5 163.6 1.8 47.5 65.8 19 28 A S E > -GF 25 55B 0 36,-2.5 36,-1.6 -2,-0.3 3,-0.7 -0.943 30.0-145.7-120.8 108.8 -1.9 47.4 65.0 20 29 A L E > S- F 0 54B 4 4,-0.7 3,-2.1 -2,-0.5 34,-0.2 -0.557 74.4 -20.4 -77.9 130.8 -2.8 49.8 62.0 21 30 A N T 3 S- 0 0 74 32,-2.6 -1,-0.3 -2,-0.3 33,-0.1 0.868 125.3 -56.0 32.7 55.2 -6.2 51.5 62.2 22 31 A Q T < S+ 0 0 152 -3,-0.7 -1,-0.3 31,-0.2 -2,-0.1 0.685 110.2 122.6 63.3 22.7 -7.4 48.8 64.7 23 32 A G < - 0 0 10 -3,-2.1 165,-0.3 1,-0.3 -1,-0.2 -0.171 68.2 -32.2 -98.8-167.1 -6.6 45.9 62.4 24 33 A A - 0 0 21 163,-1.3 -4,-0.7 -5,-0.1 -1,-0.3 -0.082 63.8-118.6 -40.9 140.4 -4.5 42.8 62.7 25 34 A W B -G 19 0B 89 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.622 38.4 -98.0 -78.6 147.9 -1.4 43.2 64.9 26 35 A T - 0 0 5 -8,-2.2 2,-0.4 -2,-0.2 107,-0.2 -0.210 47.4 -91.9 -57.9 156.1 1.9 42.5 62.9 27 36 A T S > S- 0 0 53 105,-2.8 3,-2.2 1,-0.1 -1,-0.1 -0.634 71.6 -61.8 -75.6 130.9 3.4 39.1 63.3 28 37 A L T 3 S+ 0 0 114 -2,-0.4 -1,-0.1 1,-0.4 -11,-0.0 -0.174 123.4 21.7 -57.9 144.0 5.9 39.0 66.2 29 38 A P T 3 S- 0 0 46 0, 0.0 -1,-0.4 0, 0.0 32,-0.2 -0.965 104.2-139.8 -84.1 15.4 8.3 40.4 66.8 30 39 A G < - 0 0 14 -3,-2.2 -13,-0.3 -13,-0.1 28,-0.0 -0.595 42.8 -27.1 99.9-166.8 7.0 43.0 64.3 31 40 A V E -E 16 0B 31 -15,-2.3 -15,-2.5 -2,-0.2 2,-0.1 -0.750 67.6-119.1 -90.3 128.8 8.7 45.0 61.5 32 41 A P E -E 15 0B 76 0, 0.0 2,-0.3 0, 0.0 -17,-0.3 -0.452 20.7-130.5 -73.0 138.4 12.4 45.7 62.0 33 42 A L - 0 0 13 -19,-2.2 11,-0.2 -2,-0.1 2,-0.2 -0.692 23.1-130.8 -84.0 140.3 13.5 49.4 62.2 34 43 A T E -C 43 0A 92 9,-2.3 9,-2.7 -2,-0.3 2,-0.1 -0.565 27.8 -91.2 -91.7 156.1 16.5 50.4 60.0 35 44 A K E -C 42 0A 185 7,-0.2 7,-0.2 -2,-0.2 2,-0.2 -0.386 51.5-144.4 -62.2 136.4 19.6 52.3 61.1 36 45 A S - 0 0 16 5,-1.7 5,-0.1 2,-0.3 4,-0.1 -0.536 25.3-108.6-109.7 172.0 19.1 56.0 60.6 37 46 A E S S+ 0 0 102 -2,-0.2 2,-0.5 2,-0.1 5,-0.1 0.402 99.1 82.0 -75.9 4.2 21.1 59.1 59.6 38 47 A Y S > S- 0 0 92 3,-0.3 3,-2.8 0, 0.0 -2,-0.3 -0.956 91.1-108.9-122.9 116.5 20.9 60.2 63.3 39 48 A E T 3 S+ 0 0 193 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.105 103.3 7.8 -38.4 120.5 23.3 58.9 66.0 40 49 A G T 3 S+ 0 0 44 1,-0.2 -31,-2.2 -4,-0.1 2,-0.4 0.476 109.0 107.7 82.4 5.7 21.4 56.6 68.3 41 50 A Y E < -A 8 0A 30 -3,-2.8 -5,-1.7 -33,-0.2 -3,-0.3 -0.908 46.2-165.8-118.9 147.0 18.2 56.5 66.3 42 51 A V E -AC 7 35A 13 -35,-3.0 -35,-3.0 -2,-0.4 2,-0.3 -0.844 14.3-156.1-116.3 161.7 16.4 53.9 64.1 43 52 A K E +AC 6 34A 68 -9,-2.7 -9,-2.3 -2,-0.3 2,-0.3 -0.988 16.9 174.8-140.6 148.2 13.6 54.6 61.6 44 53 A V E -A 5 0A 18 -39,-1.9 -39,-3.0 -2,-0.3 2,-0.5 -0.967 18.2-148.4-139.6 155.2 10.7 52.9 59.9 45 54 A T E -A 4 0A 72 -2,-0.3 2,-0.6 -41,-0.2 -41,-0.3 -0.970 12.1-157.1-123.9 113.4 8.0 54.3 57.6 46 55 A I E -A 3 0A 7 -43,-3.8 -43,-3.3 -2,-0.5 2,-0.2 -0.856 18.9-127.4 -95.5 123.7 4.6 52.6 57.8 47 56 A E + 0 0 112 -2,-0.6 2,-0.3 -45,-0.2 -45,-0.1 -0.448 43.1 156.6 -69.9 131.3 2.4 53.1 54.8 48 57 A A - 0 0 10 -2,-0.2 3,-0.1 4,-0.1 4,-0.0 -0.991 38.6-109.9-158.0 150.3 -1.0 54.4 55.6 49 58 A E > - 0 0 79 -2,-0.3 3,-1.0 1,-0.2 28,-0.1 -0.271 60.7 -59.9 -81.9 170.1 -4.0 56.3 54.1 50 59 A E T 3 S+ 0 0 181 1,-0.2 -1,-0.2 -2,-0.0 -48,-0.0 -0.174 122.0 12.9 -52.2 139.2 -5.1 59.8 55.1 51 60 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.747 90.1 159.6 65.9 30.9 -6.0 60.2 58.8 52 61 A S < - 0 0 6 -3,-1.0 25,-1.6 -51,-0.3 2,-0.3 -0.425 22.2-165.7 -84.7 156.0 -4.6 56.9 59.9 53 62 A Q E - H 0 76B 87 23,-0.2 -32,-2.6 -2,-0.1 2,-0.3 -0.996 1.6-166.3-141.1 136.4 -3.6 55.9 63.5 54 63 A L E -FH 20 75B 1 21,-2.5 21,-2.3 -2,-0.3 2,-0.5 -0.939 16.1-142.0-121.4 154.6 -1.5 53.0 64.8 55 64 A R E +FH 19 74B 85 -36,-1.6 -36,-2.5 -2,-0.3 2,-0.3 -0.963 34.6 179.8-103.9 126.4 -0.9 51.4 68.3 56 65 A A E -FH 18 73B 0 17,-3.2 17,-3.4 -2,-0.5 2,-0.3 -0.943 26.1-175.6-130.1 151.0 2.7 50.3 68.7 57 66 A A E -F 17 0B 2 -40,-2.3 -40,-2.9 -2,-0.3 2,-0.3 -0.976 23.3-140.2-130.4 151.4 5.1 48.7 71.2 58 67 A F E +FI 16 66B 0 8,-2.6 8,-3.9 -2,-0.3 2,-0.3 -0.824 21.4 176.1-113.2 149.2 8.9 48.4 70.5 59 68 A N E -FI 15 65B 0 -44,-2.6 -44,-2.5 -2,-0.3 6,-0.2 -0.885 42.9-113.0-144.8 172.5 11.2 45.5 71.2 60 69 A N - 0 0 47 4,-1.6 -47,-0.3 -2,-0.3 -48,-0.1 0.145 68.7 -95.7 -92.0 20.7 14.7 44.1 70.8 61 70 A G S S+ 0 0 30 -32,-0.2 4,-0.1 3,-0.2 -31,-0.1 0.573 117.3 60.9 76.0 11.1 13.5 41.4 68.6 62 71 A S S S- 0 0 95 2,-0.3 3,-0.1 -33,-0.1 -1,-0.0 0.269 119.9 -72.8-155.6 14.4 13.4 39.1 71.6 63 72 A G S S+ 0 0 45 1,-0.4 2,-0.9 -34,-0.1 -4,-0.0 0.437 88.8 117.4 102.1 -13.7 11.1 40.1 74.5 64 73 A Q - 0 0 120 2,-0.0 -4,-1.6 0, 0.0 -1,-0.4 -0.878 57.0-169.2 -74.5 105.4 12.8 43.1 76.0 65 74 A W E -I 59 0B 88 -2,-0.9 2,-0.5 -6,-0.2 -6,-0.3 -0.736 34.7-156.0-105.0 151.1 9.9 45.4 75.2 66 75 A D E +I 58 0B 38 -8,-3.9 -8,-2.6 -2,-0.3 -2,-0.0 -0.936 32.7 153.7-112.8 100.2 9.3 49.2 75.3 67 76 A N > - 0 0 60 -2,-0.5 5,-3.0 -10,-0.2 4,-0.2 0.058 64.5-101.0-123.7 30.4 5.5 49.5 75.6 68 77 A N T > 5S- 0 0 35 1,-0.2 3,-2.2 3,-0.2 -2,-0.1 0.957 85.1 -50.6 56.1 55.5 4.9 52.8 77.3 69 78 A Q T 3 5S- 0 0 170 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.835 109.7 -51.1 46.8 42.6 4.3 51.2 80.7 70 79 A G T 3 5S+ 0 0 53 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.242 127.5 91.1 89.0 -12.2 1.8 48.7 79.2 71 80 A R T < 5S- 0 0 162 -3,-2.2 -3,-0.2 -4,-0.2 -2,-0.1 0.585 81.9-139.8 -88.8 -13.9 -0.4 51.3 77.5 72 81 A D < - 0 0 39 -5,-3.0 2,-0.4 -17,-0.1 -15,-0.2 0.220 23.7 -79.4 64.5 166.6 1.5 51.1 74.1 73 82 A Y E -H 56 0B 5 -17,-3.4 -17,-3.2 2,-0.0 2,-0.4 -0.807 34.6-145.7-100.7 138.3 2.3 54.2 72.0 74 83 A D E -H 55 0B 96 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.892 18.3-178.3-101.0 134.8 -0.1 55.9 69.6 75 84 A F E -H 54 0B 2 -21,-2.3 -21,-2.5 -2,-0.4 2,-0.3 -0.974 9.2-157.6-129.2 146.7 1.0 57.5 66.4 76 85 A S E -H 53 0B 46 -2,-0.3 -72,-0.2 -23,-0.2 -23,-0.2 -0.792 45.3 -65.7-110.7 160.3 -0.8 59.4 63.6 77 86 A S S S+ 0 0 32 -25,-1.6 -74,-0.3 -2,-0.3 2,-0.2 -0.071 99.7 49.5 -35.4 136.6 0.1 60.0 60.0 78 87 A G E S-b 3 0A 28 -76,-3.1 -74,-3.0 -3,-0.1 2,-0.3 -0.599 96.6 -44.8 117.2 177.6 3.2 62.1 59.6 79 88 A V E +b 4 0A 58 -2,-0.2 11,-1.6 -76,-0.2 2,-0.3 -0.645 56.4 167.6 -85.3 144.5 6.8 62.1 61.1 80 89 A H E -bD 5 89A 24 -76,-1.4 -74,-3.0 9,-0.3 2,-0.5 -0.985 25.7-144.6-152.4 151.3 7.5 61.5 64.8 81 90 A T E -bD 6 88A 8 7,-3.1 7,-2.2 -2,-0.3 2,-0.6 -0.974 8.0-157.7-118.4 130.4 10.4 60.8 67.1 82 91 A L E +bD 7 87A 0 -76,-3.1 -74,-2.5 -2,-0.5 2,-0.5 -0.950 21.9 169.5-105.1 112.8 10.0 58.5 70.1 83 92 A A E > - 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0 0 28 31,-2.3 -2,-0.1 -2,-0.6 74,-0.0 -0.998 56.8-149.9-160.2 147.2 -2.6 32.7 50.9 105 19 B G + 0 0 78 -2,-0.3 -1,-0.1 31,-0.0 31,-0.1 0.601 66.5 120.2 -84.9 -15.0 -0.7 29.5 51.6 106 20 B W - 0 0 71 1,-0.1 -2,-0.1 2,-0.1 50,-0.1 -0.117 54.5-152.9 -58.2 142.1 1.2 29.8 48.3 107 21 B T S S+ 0 0 126 1,-0.2 -1,-0.1 48,-0.2 49,-0.1 0.681 94.5 28.1 -89.3 -21.7 5.0 30.1 48.3 108 22 B H S S+ 0 0 135 47,-0.2 -1,-0.2 2,-0.0 46,-0.1 -0.305 82.4 178.4-131.2 59.6 5.3 31.9 45.1 109 23 B P - 0 0 5 0, 0.0 19,-2.4 0, 0.0 2,-0.4 -0.265 6.1-168.9 -67.7 138.0 2.0 33.8 44.7 110 24 B H E -NO 127 154D 32 44,-3.6 44,-2.2 17,-0.2 2,-0.5 -0.941 17.5-141.6-124.7 149.5 1.6 36.1 41.6 111 25 B I E -NO 126 153D 0 15,-2.9 15,-3.1 -2,-0.4 2,-0.5 -0.967 15.3-169.4-105.9 126.7 -0.9 38.7 40.7 112 26 B H E + O 0 152D 26 40,-3.4 40,-3.4 -2,-0.5 2,-0.3 -0.978 27.2 149.9-115.9 122.0 -1.8 38.7 37.0 113 27 B Y E - O 0 151D 32 -2,-0.5 8,-2.4 38,-0.3 2,-0.5 -0.932 49.0-125.3-149.3 165.6 -3.9 41.7 36.1 114 28 B S E -PO 120 150D 10 36,-2.9 36,-1.9 -2,-0.3 2,-0.5 -0.995 31.1-149.4-115.7 121.5 -5.0 44.4 33.6 115 29 B L E > S- O 0 149D 49 4,-0.7 3,-1.3 -2,-0.5 34,-0.2 -0.804 70.9 -15.4 -95.1 127.7 -4.4 48.0 34.9 116 30 B N T 3 S- 0 0 59 32,-3.3 -1,-0.2 -2,-0.5 33,-0.1 0.842 124.6 -55.1 50.7 42.8 -6.8 50.7 33.7 117 31 B Q T 3 S+ 0 0 168 -3,-0.4 -1,-0.3 31,-0.2 3,-0.1 0.660 113.2 113.7 77.4 17.5 -8.4 48.8 30.9 118 32 B G < - 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