==== 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 07-OCT-05 2C3G . COMPND 2 MOLECULE: ALPHA-AMYLASE G-6; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.B.BORASTON,M.HEALEY,J.KLASSEN,E.FICKO-BLEAN, . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 54.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 34.7 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 9 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 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 PARALLEL BRIDGES PER LADDER . 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-132.0 26.6 -16.2 20.2 2 2 A H + 0 0 189 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.774 360.0 154.3 112.9 137.0 26.1 -12.6 21.1 3 3 A M - 0 0 144 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.919 59.0 -70.2-155.4 170.7 25.1 -8.9 21.0 4 4 A A + 0 0 90 -2,-0.3 2,-0.3 51,-0.0 51,-0.0 -0.703 65.5 174.9 -76.3 112.0 24.2 -6.0 23.2 5 5 A S + 0 0 57 -2,-0.8 51,-2.6 2,-0.0 2,-0.3 -0.797 18.5 86.2-121.9 159.3 20.7 -7.0 24.4 6 6 A G E S-A 55 0A 22 49,-0.3 2,-0.6 -2,-0.3 49,-0.2 -0.971 78.1 -27.4 154.6-138.4 18.1 -5.7 26.9 7 7 A L E -A 54 0A 7 47,-2.6 47,-2.7 -2,-0.3 2,-0.5 -0.941 46.8-166.9-121.5 110.8 15.3 -3.3 26.9 8 8 A T E -A 53 0A 28 -2,-0.6 78,-0.7 45,-0.3 2,-0.4 -0.824 10.8-171.5 -92.2 130.6 15.4 -0.3 24.5 9 9 A I E -Ab 52 86A 0 43,-2.6 43,-2.1 -2,-0.5 2,-0.4 -0.989 9.5-162.5-128.5 131.2 12.8 2.4 25.3 10 10 A Y E -Ab 51 87A 46 76,-4.3 78,-3.1 -2,-0.4 2,-0.5 -0.956 9.6-161.8-113.1 136.7 11.9 5.4 23.2 11 11 A F E -Ab 50 88A 0 39,-3.2 39,-2.3 -2,-0.4 2,-1.1 -0.968 17.5-146.1-123.2 126.4 10.1 8.3 24.7 12 12 A K E -A 49 0A 92 76,-2.4 37,-0.2 -2,-0.5 35,-0.0 -0.799 33.0-143.1 -88.2 101.2 8.2 11.0 22.9 13 13 A K - 0 0 21 35,-2.7 2,-0.1 -2,-1.1 6,-0.0 -0.469 10.1-119.4 -73.5 129.7 9.0 13.9 25.3 14 14 A P > - 0 0 35 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.361 25.0-120.7 -62.9 147.7 6.2 16.4 26.0 15 15 A D T 3 S+ 0 0 127 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.773 109.8 59.8 -70.1 -24.4 7.4 19.9 25.0 16 16 A S T 3 S+ 0 0 98 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.637 89.8 98.0 -73.2 -15.1 6.9 21.3 28.5 17 17 A W < - 0 0 21 -3,-1.4 2,-0.1 1,-0.1 -4,-0.0 -0.449 65.4-139.8 -81.2 147.5 9.5 18.8 29.9 18 18 A G - 0 0 38 1,-0.2 -1,-0.1 -2,-0.1 47,-0.0 -0.136 66.0 -25.1 -82.9-169.5 13.2 19.4 30.5 19 19 A T S S- 0 0 76 1,-0.1 48,-0.6 47,-0.1 2,-0.3 -0.080 78.0-121.6 -44.3 126.4 15.9 16.8 29.8 20 20 A P E -E 66 0B 2 0, 0.0 22,-3.0 0, 0.0 2,-0.3 -0.578 30.9-174.7 -82.7 136.4 14.3 13.3 29.8 21 21 A H E -EF 65 41B 26 44,-3.5 44,-1.6 -2,-0.3 2,-0.7 -0.904 20.3-132.0-125.2 153.6 15.5 10.6 32.2 22 22 A L E -E 64 0B 0 18,-2.8 2,-0.4 -2,-0.3 42,-0.2 -0.877 18.8-170.0-112.6 108.0 14.6 6.9 32.5 23 23 A Y E +E 63 0B 50 40,-2.4 40,-3.0 -2,-0.7 2,-0.3 -0.817 15.4 167.3 -95.8 132.8 13.8 5.6 36.0 24 24 A Y E +E 62 0B 24 -2,-0.4 38,-0.2 38,-0.2 2,-0.2 -0.999 8.2 169.3-148.5 144.4 13.5 1.8 36.4 25 25 A Y E +E 61 0B 54 36,-2.0 36,-1.5 -2,-0.3 7,-0.0 -0.659 54.5 46.9-142.5-162.5 13.3 -0.7 39.2 26 26 A D E S- 0 0 71 -2,-0.2 -1,-0.2 34,-0.2 2,-0.2 0.804 72.6-175.0 4.8 74.9 12.6 -4.4 39.9 27 27 A T E - 0 0 6 4,-0.3 33,-0.2 33,-0.1 -1,-0.1 -0.493 18.0-124.6 -74.1 149.1 14.7 -5.6 37.0 28 28 A N E S+E 59 0B 102 31,-2.0 30,-2.8 1,-0.3 31,-1.8 -0.928 103.5 35.1-147.4 119.1 14.8 -9.2 36.0 29 29 A P S S- 0 0 62 0, 0.0 -1,-0.3 0, 0.0 30,-0.1 0.567 118.2-108.5 -64.4 153.8 17.4 -10.5 35.9 30 30 A K + 0 0 147 -2,-0.2 2,-0.3 -3,-0.1 -2,-0.1 -0.322 52.5 163.6 -66.1 132.6 18.4 -8.3 38.8 31 31 A V - 0 0 53 -2,-0.1 -4,-0.3 -4,-0.0 25,-0.0 -0.880 49.7 -62.7-146.1 159.1 20.8 -5.6 37.8 32 32 A D - 0 0 155 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.294 55.7-152.7 -52.4 128.0 22.1 -2.4 39.3 33 33 A E - 0 0 58 -6,-0.0 -8,-0.1 6,-0.0 -1,-0.1 -0.906 10.8-119.4-109.6 138.5 19.1 -0.0 39.6 34 34 A P - 0 0 13 0, 0.0 5,-0.1 0, 0.0 -10,-0.1 -0.304 20.5-112.1 -73.3 152.4 19.3 3.8 39.5 35 35 A T > - 0 0 72 1,-0.1 4,-0.7 -12,-0.1 -11,-0.1 -0.372 35.3-109.1 -63.3 156.4 18.3 6.3 42.1 36 36 A W T 4 S+ 0 0 98 1,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.852 125.1 37.9 -57.3 -34.3 15.3 8.6 41.2 37 37 A S T 4 S+ 0 0 101 1,-0.2 -1,-0.2 -14,-0.0 -14,-0.0 0.585 116.3 51.5 -96.2 -14.7 17.9 11.4 40.9 38 38 A E T 4 S+ 0 0 130 2,-0.0 -2,-0.2 -17,-0.0 -1,-0.2 0.293 77.4 138.3-103.1 4.6 20.6 9.3 39.3 39 39 A A < - 0 0 6 -4,-0.7 -16,-0.2 -5,-0.1 -3,-0.1 -0.207 63.2 -98.1 -44.8 134.3 18.3 7.9 36.6 40 40 A P - 0 0 34 0, 0.0 -18,-2.8 0, 0.0 -1,-0.1 -0.321 35.6-108.1 -62.2 141.3 20.1 7.7 33.2 41 41 A E B -F 21 0B 117 -20,-0.2 2,-0.8 -3,-0.1 -20,-0.3 -0.397 26.6-125.1 -59.2 140.5 19.6 10.5 30.6 42 42 A M - 0 0 0 -22,-3.0 10,-0.2 -2,-0.1 3,-0.1 -0.854 29.6-131.2 -90.4 105.3 17.6 9.5 27.6 43 43 A E E -C 51 0A 97 8,-1.1 8,-2.7 -2,-0.8 2,-0.1 -0.191 28.5 -98.7 -55.7 146.3 19.8 10.3 24.7 44 44 A H E +C 50 0A 111 6,-0.2 6,-0.3 1,-0.2 -1,-0.1 -0.484 43.7 173.3 -67.3 139.9 18.2 12.4 21.9 45 45 A Y E - 0 0 105 4,-2.6 2,-0.2 -2,-0.1 5,-0.2 0.746 55.8 -43.9-108.7 -62.2 17.0 10.2 19.0 46 46 A E E > S-C 49 0A 100 3,-1.3 3,-2.3 1,-0.0 2,-0.2 -0.846 100.1 -16.9-178.4 131.9 15.0 12.4 16.5 47 47 A G T 3 S- 0 0 54 1,-0.3 -2,-0.1 -2,-0.2 -1,-0.0 -0.460 131.0 -24.1 63.6-129.9 12.3 15.0 16.8 48 48 A D T 3 S+ 0 0 65 -2,-0.2 -35,-2.7 -4,-0.1 2,-0.4 0.290 113.6 114.7 -92.6 9.0 10.8 14.8 20.3 49 49 A W E < +AC 12 46A 15 -3,-2.3 -4,-2.6 -37,-0.2 -3,-1.3 -0.658 40.3 177.8 -80.5 134.8 11.9 11.1 20.5 50 50 A Y E -AC 11 44A 48 -39,-2.3 -39,-3.2 -2,-0.4 2,-0.3 -0.879 8.6-164.7-129.7 160.9 14.5 10.2 23.1 51 51 A T E +AC 10 43A 9 -8,-2.7 -8,-1.1 -2,-0.3 2,-0.3 -0.981 16.6 177.7-151.6 156.1 15.9 6.8 23.9 52 52 A H E -A 9 0A 33 -43,-2.1 -43,-2.6 -2,-0.3 2,-0.5 -0.924 17.6-143.7-163.9 140.1 17.8 4.6 26.2 53 53 A T E -A 8 0A 59 -2,-0.3 2,-0.7 -45,-0.2 -45,-0.3 -0.924 5.7-155.1-109.2 119.6 18.8 0.9 26.4 54 54 A I E > -A 7 0A 4 -47,-2.7 -47,-2.6 -2,-0.5 3,-0.7 -0.886 26.9-140.1 -85.7 109.9 18.8 -1.0 29.8 55 55 A E E 3 S+A 6 0A 131 -2,-0.7 -49,-0.3 -49,-0.2 3,-0.1 -0.453 71.9 12.4 -76.0 145.3 21.3 -3.8 29.1 56 56 A G T 3 S+ 0 0 42 -51,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.345 93.3 120.5 83.5 -6.8 20.8 -7.3 30.4 57 57 A V < - 0 0 1 -3,-0.7 -1,-0.2 -52,-0.2 3,-0.1 -0.694 38.1-177.9 -95.2 138.5 17.2 -7.0 31.5 58 58 A E S S+ 0 0 146 -30,-2.8 2,-0.3 1,-0.4 -1,-0.1 0.658 81.3 14.8 -99.9 -28.6 14.2 -9.0 30.2 59 59 A S E +E 28 0B 20 -31,-1.8 -31,-2.0 -30,-0.1 24,-0.5 -0.977 67.6 166.0-143.9 160.4 11.6 -7.1 32.3 60 60 A V E - G 0 82B 0 22,-4.0 22,-2.2 -2,-0.3 2,-0.4 -0.912 33.1-123.8-160.4 163.4 11.6 -3.8 34.2 61 61 A R E -EG 25 81B 98 -36,-1.5 -36,-2.0 -2,-0.3 2,-0.3 -0.999 43.1-173.3-120.0 128.9 9.3 -1.4 35.9 62 62 A L E -EG 24 80B 0 18,-3.1 18,-3.8 -2,-0.4 2,-0.3 -0.925 26.7-177.9-135.9 151.3 9.7 2.2 34.5 63 63 A L E -E 23 0B 10 -40,-3.0 -40,-2.4 -2,-0.3 2,-0.3 -0.992 23.4-133.7-133.4 148.2 8.8 5.9 34.7 64 64 A F E +EH 22 72B 0 8,-2.3 8,-2.2 -2,-0.3 2,-0.3 -0.743 34.6 162.1 -90.9 147.6 9.8 8.8 32.6 65 65 A K E -EH 21 71B 12 -44,-1.6 -44,-3.5 -2,-0.3 6,-0.2 -0.982 29.3-133.2-154.8 158.6 10.9 12.0 34.3 66 66 A D E -E 20 0B 5 4,-1.7 -47,-0.1 -2,-0.3 -49,-0.0 -0.549 42.3 -95.6-103.8-176.4 12.8 15.3 33.7 67 67 A R S S+ 0 0 212 -48,-0.6 2,-0.0 -2,-0.2 -48,-0.0 0.469 113.7 48.1 -78.2 -0.9 15.5 16.9 35.9 68 68 A G S S- 0 0 48 -49,-0.2 -51,-0.0 2,-0.1 -2,-0.0 0.253 121.7 -60.8-103.4-127.3 12.8 19.0 37.5 69 69 A T S S+ 0 0 136 -4,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.817 91.2 112.7-113.2 6.1 9.4 17.8 38.8 70 70 A N + 0 0 62 -5,-0.1 -4,-1.7 -54,-0.1 2,-0.3 0.106 35.1 155.6 -79.3 150.8 7.8 16.3 35.7 71 71 A Q E -H 65 0B 53 -6,-0.2 3,-0.5 4,-0.0 -6,-0.3 -0.968 36.5-115.0-164.3 163.3 7.1 12.5 35.3 72 72 A W E S+H 64 0B 85 -8,-2.2 -8,-2.3 1,-0.8 2,-0.2 -0.883 95.1 45.7-154.9 113.1 4.9 10.0 33.5 73 73 A P S S- 0 0 15 0, 0.0 -1,-0.8 0, 0.0 3,-0.1 0.740 103.7-109.8 -61.3 153.5 3.1 8.5 35.3 74 74 A G > - 0 0 23 -3,-0.5 3,-2.2 1,-0.2 -2,-0.1 0.544 43.8 -64.8 97.2 100.4 1.9 10.6 37.2 75 75 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 -0.317 122.1 19.8 -61.6 127.4 2.4 11.2 40.9 76 76 A G T 3 S+ 0 0 80 1,-0.4 -2,-0.0 -3,-0.1 0, 0.0 0.296 98.9 116.5 97.8 -6.8 1.2 8.3 43.0 77 77 A E < - 0 0 118 -3,-2.2 -1,-0.4 1,-0.0 2,-0.2 -0.625 63.5-123.9 -91.0 150.5 1.3 5.8 40.1 78 78 A P - 0 0 91 0, 0.0 3,-0.1 0, 0.0 -16,-0.1 -0.512 43.6 -80.2 -83.1 165.0 3.6 2.8 39.9 79 79 A G - 0 0 13 -2,-0.2 2,-0.4 1,-0.1 -16,-0.2 0.048 46.4 -97.5 -55.1 163.7 6.0 2.3 36.9 80 80 A F E -G 62 0B 48 -18,-3.8 -18,-3.1 -3,-0.1 2,-0.4 -0.773 40.7-128.4 -78.5 133.5 5.0 1.0 33.5 81 81 A F E -G 61 0B 104 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.2 -0.773 31.4-177.2 -87.7 131.4 5.8 -2.7 33.3 82 82 A R E +G 60 0B 31 -22,-2.2 -22,-4.0 -2,-0.4 3,-0.1 -0.919 33.3 158.4-153.8 152.4 7.9 -3.9 30.3 83 83 A D S S+ 0 0 102 -24,-0.5 2,-0.3 -2,-0.3 -1,-0.1 -0.470 75.1 46.2 117.5 -32.0 9.1 -6.9 29.2 84 84 A Q S S- 0 0 98 -76,-0.0 -77,-0.1 -77,-0.0 2,-0.1 -0.972 90.7 -71.5-161.3 149.8 9.6 -5.8 25.5 85 85 A D - 0 0 67 -2,-0.3 -76,-0.2 -79,-0.1 2,-0.2 -0.405 55.3-102.4 -65.2 159.0 11.1 -2.8 23.6 86 86 A G E +b 9 0A 0 -78,-0.7 -76,-4.3 -2,-0.1 2,-0.5 -0.996 48.5 139.1 173.8 22.1 10.0 0.2 23.4 87 87 A W E -bD 10 93A 22 6,-2.7 6,-2.0 -78,-0.2 2,-0.6 -0.906 26.4-176.8-115.3 112.0 8.2 3.3 21.9 88 88 A F E +bD 11 92A 5 -78,-3.1 -76,-2.4 -2,-0.5 4,-0.2 -0.879 22.9 150.3-108.6 117.9 5.9 5.4 24.2 89 89 A D S S- 0 0 59 2,-2.3 3,-0.1 -2,-0.6 -1,-0.1 0.006 96.0 -55.8-121.1 26.4 3.9 8.5 22.9 90 90 A G S S+ 0 0 40 1,-0.2 2,-0.3 0, 0.0 -2,-0.1 -0.011 138.6 49.4 109.5 -25.1 1.0 8.3 25.3 91 91 A E S S- 0 0 121 -4,-0.1 -2,-2.3 2,-0.0 2,-0.4 -0.959 93.6-108.8-134.0 155.9 0.5 4.7 24.1 92 92 A W E +D 88 0A 38 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.706 34.4 177.5 -84.3 134.5 3.0 1.9 23.7 93 93 A H E -D 87 0A 67 -6,-2.0 -6,-2.7 -2,-0.4 3,-0.0 -0.985 27.5-146.1-130.2 144.3 4.1 0.7 20.3 94 94 A V S S+ 0 0 70 -2,-0.3 2,-0.3 -8,-0.2 -1,-0.1 0.894 90.2 32.0 -74.2 -45.6 6.7 -2.0 19.5 95 95 A D S S- 0 0 124 1,-0.1 -8,-0.1 -8,-0.1 3,-0.1 -0.775 111.9 -71.9-104.4 159.7 7.9 -0.2 16.3 96 96 A R - 0 0 96 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.175 56.0-110.7 -45.8 127.1 8.0 3.6 15.7 97 97 A P 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.393 360.0 360.0 -61.7 142.2 4.5 5.0 15.2 98 98 A G 0 0 130 -3,-0.1 -2,-0.1 -2,-0.1 0, 0.0 0.600 360.0 360.0 120.8 360.0 3.9 6.2 11.6