==== 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 2C3H . COMPND 2 MOLECULE: ALPHA-AMYLASE G-6; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.B.BORASTON,M.HEALEY,J.KLASSEN,E.FICKO-BLEAN, . 737 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 255 34.6 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 . 16 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 51 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 2 6 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 16 16 0 0 16 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 16 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 4 A S 0 0 112 0, 0.0 51,-0.4 0, 0.0 53,-0.2 0.000 360.0 360.0 360.0-144.2 2.3 31.2 37.2 2 5 A G - 0 0 18 51,-1.8 2,-0.5 49,-0.2 49,-0.2 -0.020 360.0-101.7 120.0 144.1 0.6 31.5 40.5 3 6 A L E -A 50 0A 7 47,-1.5 47,-3.5 77,-0.1 2,-0.5 -0.810 20.9-164.0-102.6 125.9 0.0 34.0 43.2 4 7 A T E -A 49 0A 26 -2,-0.5 78,-0.5 45,-0.3 2,-0.4 -0.925 16.5-173.3-100.1 129.9 2.0 34.1 46.5 5 8 A I E -A 48 0A 0 43,-2.3 43,-2.3 -2,-0.5 2,-0.4 -0.986 11.1-162.4-130.8 135.5 0.2 36.2 49.0 6 9 A Y E -Ab 47 83A 44 76,-4.2 78,-2.0 -2,-0.4 2,-0.4 -0.917 9.0-168.0-118.3 145.7 1.4 37.2 52.4 7 10 A F E -Ab 46 84A 0 39,-2.7 39,-1.7 -2,-0.4 2,-0.7 -0.979 20.2-135.9-142.6 123.2 -0.9 38.5 55.1 8 11 A K E -A 45 0A 46 76,-2.5 37,-0.2 -2,-0.4 36,-0.0 -0.699 32.0-130.7 -77.3 115.5 -0.1 40.2 58.4 9 12 A K - 0 0 34 35,-2.4 6,-0.1 -2,-0.7 2,-0.1 -0.394 14.5-122.0 -70.7 128.2 -2.4 38.5 61.0 10 13 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.443 29.4-115.9 -63.5 145.3 -4.5 40.9 63.2 11 14 A D T 3 S+ 0 0 130 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.884 112.7 50.3 -55.6 -40.7 -3.5 40.1 66.9 12 15 A S T 3 S+ 0 0 102 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.395 94.0 99.5 -80.6 0.8 -7.1 38.9 67.8 13 16 A W S < S- 0 0 27 -3,-1.8 -4,-0.0 1,-0.1 2,-0.0 -0.625 70.4-126.8 -87.3 150.4 -7.4 36.5 64.8 14 17 A G - 0 0 37 -2,-0.3 -1,-0.1 1,-0.2 47,-0.0 -0.126 65.7 -51.5 -70.2-177.7 -6.9 32.8 64.7 15 18 A T S S- 0 0 57 1,-0.1 48,-0.3 -6,-0.1 -1,-0.2 -0.391 75.7-106.6 -67.8 132.5 -4.4 31.6 62.1 16 19 A P - 0 0 0 0, 0.0 22,-3.0 0, 0.0 2,-0.3 -0.327 29.0-160.2 -68.3 144.8 -5.4 33.1 58.8 17 20 A H E -EF 37 61B 13 44,-4.1 44,-1.9 20,-0.2 2,-0.6 -0.842 15.5-133.7-111.5 153.1 -7.1 31.3 55.8 18 21 A L E - F 0 60B 0 18,-2.6 2,-0.4 -2,-0.3 42,-0.2 -0.937 19.4-170.6-110.7 111.8 -7.1 32.5 52.3 19 22 A Y E + F 0 59B 52 40,-3.0 40,-2.9 -2,-0.6 2,-0.3 -0.844 14.8 172.7 -98.2 140.4 -10.4 32.4 50.5 20 23 A Y E + F 0 58B 26 -2,-0.4 2,-0.3 10,-0.3 38,-0.2 -0.999 12.5 163.1-150.9 149.1 -10.4 33.1 46.8 21 24 A Y E + F 0 57B 50 36,-2.5 36,-2.6 -2,-0.3 3,-0.1 -0.854 55.7 59.3-152.9-176.1 -12.7 33.1 43.7 22 25 A D E S- 0 0 62 -2,-0.3 -1,-0.1 34,-0.2 33,-0.1 0.846 72.4-173.5 50.3 39.7 -12.7 34.5 40.1 23 26 A T E - 0 0 5 4,-0.2 33,-0.2 33,-0.1 -1,-0.2 -0.368 15.7-130.9 -62.6 138.9 -9.5 32.6 39.5 24 27 A N E S+ F 0 55B 93 31,-2.5 30,-3.4 1,-0.3 31,-2.6 -0.944 98.9 28.1-137.6 118.5 -8.0 33.3 36.1 25 28 A P S S- 0 0 65 0, 0.0 -1,-0.3 0, 0.0 29,-0.0 0.594 119.3-100.9 -71.4 165.8 -7.2 31.1 34.6 26 29 A K + 0 0 121 -2,-0.1 2,-0.3 -3,-0.1 -2,-0.1 -0.231 52.7 163.5 -61.9 134.2 -9.9 28.9 36.2 27 30 A V - 0 0 46 1,-0.0 -4,-0.2 -4,-0.0 -5,-0.1 -0.872 50.0 -65.7-143.6 163.0 -8.7 26.6 39.0 28 31 A D - 0 0 157 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.318 51.7-152.8 -58.8 142.0 -10.5 24.7 41.7 29 32 A E - 0 0 73 -6,-0.0 -8,-0.1 -3,-0.0 -1,-0.1 -0.950 6.5-135.8-126.1 107.5 -12.1 27.1 44.3 30 33 A P - 0 0 30 0, 0.0 -10,-0.3 0, 0.0 5,-0.1 -0.296 22.7-107.8 -58.9 143.6 -12.7 26.2 47.9 31 34 A T >> - 0 0 77 -12,-0.1 3,-0.9 1,-0.1 4,-0.8 -0.278 38.8-101.0 -46.7 146.3 -15.8 26.9 49.8 32 35 A W G >4 S+ 0 0 91 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.910 124.9 45.8 -39.6 -53.3 -15.6 29.7 52.5 33 36 A S G 34 S+ 0 0 83 1,-0.3 -1,-0.2 -14,-0.0 -14,-0.0 0.670 114.8 47.9 -75.6 -14.9 -15.3 27.0 55.3 34 37 A E G <4 S+ 0 0 142 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.399 75.3 135.5-108.0 5.0 -12.7 25.1 53.4 35 38 A A << - 0 0 3 -3,-1.1 -16,-0.2 -4,-0.8 -3,-0.0 -0.285 63.7-101.0 -46.2 132.3 -10.5 28.1 52.5 36 39 A P - 0 0 38 0, 0.0 -18,-2.6 0, 0.0 2,-0.2 -0.274 27.3-104.0 -72.2 146.4 -6.9 26.9 53.1 37 40 A E B -E 17 0B 109 -20,-0.2 2,-0.4 -3,-0.1 -20,-0.2 -0.394 33.8-126.6 -52.8 125.3 -4.6 27.6 56.1 38 41 A M - 0 0 0 -22,-3.0 10,-0.2 -2,-0.2 2,-0.1 -0.699 28.7-116.1 -79.1 130.4 -1.9 30.1 55.3 39 42 A E E -C 47 0A 138 8,-2.0 8,-2.8 -2,-0.4 2,-0.2 -0.448 34.4-103.0 -59.1 138.5 1.5 28.7 56.2 40 43 A H E +C 46 0A 114 6,-0.2 6,-0.2 1,-0.1 -1,-0.1 -0.469 44.8 175.9 -62.8 133.8 3.2 30.6 58.9 41 44 A Y E - 0 0 90 4,-2.6 2,-0.3 -2,-0.2 5,-0.2 0.798 53.7 -33.6-104.4 -77.5 5.9 32.8 57.4 42 45 A E E > S-C 45 0A 74 3,-0.9 3,-2.1 87,-0.0 2,-0.3 -0.924 100.5 -39.3-153.6 123.6 7.8 35.1 59.9 43 46 A G T 3 S- 0 0 59 -2,-0.3 -2,-0.1 1,-0.3 86,-0.0 -0.436 130.9 -8.0 62.6-120.3 6.4 36.8 63.0 44 47 A D T 3 S+ 0 0 62 -2,-0.3 -35,-2.4 -4,-0.1 -1,-0.3 0.587 114.6 104.3 -81.5 -11.1 2.8 38.0 62.2 45 48 A W E < +AC 8 42A 7 -3,-2.1 -4,-2.6 -37,-0.2 -3,-0.9 -0.543 44.9 179.7 -85.4 135.9 3.1 37.2 58.5 46 49 A Y E -AC 7 40A 32 -39,-1.7 -39,-2.7 -2,-0.3 2,-0.3 -0.859 8.8-156.2-126.8 165.8 1.5 34.2 56.9 47 50 A T E +AC 6 39A 22 -8,-2.8 -8,-2.0 -2,-0.3 2,-0.3 -0.976 15.8 176.7-147.0 146.8 1.6 33.0 53.3 48 51 A H E -A 5 0A 36 -43,-2.3 -43,-2.3 -2,-0.3 2,-0.5 -0.958 16.8-147.7-151.9 142.5 -0.2 31.0 50.6 49 52 A T E -A 4 0A 50 -2,-0.3 2,-0.9 -45,-0.2 -45,-0.3 -0.925 9.8-148.8-105.9 122.6 0.5 30.4 46.9 50 53 A I E > -A 3 0A 1 -47,-3.5 -47,-1.5 -2,-0.5 3,-0.8 -0.820 24.3-140.0 -85.3 108.5 -2.5 29.9 44.6 51 54 A E T 3 S+ 0 0 140 -2,-0.9 -49,-0.2 -49,-0.2 -47,-0.0 -0.414 74.8 18.3 -66.2 144.8 -1.1 27.5 41.9 52 55 A G T 3 S+ 0 0 42 -51,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.495 95.9 118.8 89.5 12.7 -2.1 28.0 38.3 53 56 A V < + 0 0 1 -3,-0.8 -51,-1.8 1,-0.1 -1,-0.2 -0.859 41.2 178.9-130.6 135.3 -3.3 31.6 38.4 54 57 A E S S+ 0 0 105 -30,-3.4 2,-0.3 -2,-0.3 -1,-0.1 0.803 84.9 15.8 -91.6 -48.6 -2.5 35.0 37.0 55 58 A S E +F 24 0B 15 -31,-2.6 -31,-2.5 -33,-0.1 24,-0.4 -0.906 64.9 167.7-131.4 159.1 -5.3 36.9 38.8 56 59 A V E - G 0 78B 0 22,-3.3 22,-2.3 -2,-0.3 2,-0.4 -0.970 31.1-129.9-158.7 152.7 -7.7 36.3 41.7 57 60 A R E -FG 21 77B 20 -36,-2.6 -36,-2.5 -2,-0.3 2,-0.4 -0.972 41.7-176.7-106.0 134.2 -10.2 38.0 44.1 58 61 A L E -FG 20 76B 0 18,-2.4 18,-3.4 -2,-0.4 2,-0.4 -0.965 24.8-168.1-138.0 150.9 -9.4 37.1 47.6 59 62 A L E -F 19 0B 6 -40,-2.9 -40,-3.0 -2,-0.4 2,-0.3 -0.990 20.9-133.9-128.7 146.0 -10.6 37.5 51.2 60 63 A F E +FH 18 68B 0 8,-2.8 8,-2.9 -2,-0.4 2,-0.3 -0.781 35.4 158.4 -92.4 143.2 -8.7 36.8 54.4 61 64 A K E -FH 17 67B 10 -44,-1.9 -44,-4.1 -2,-0.3 6,-0.2 -0.922 29.8-137.4-145.2 167.5 -10.5 34.8 57.2 62 65 A D - 0 0 8 4,-1.3 -47,-0.0 -2,-0.3 -49,-0.0 -0.631 45.2 -91.5-112.5-172.6 -9.8 32.7 60.2 63 66 A R S S+ 0 0 210 -48,-0.3 -50,-0.0 -2,-0.2 -26,-0.0 0.689 115.1 60.2 -71.2 -16.5 -11.6 29.5 61.3 64 67 A G S S- 0 0 46 2,-0.0 -2,-0.1 1,-0.0 -51,-0.0 0.325 116.2 -74.8 -79.0-142.5 -13.9 31.8 63.3 65 68 A T S S+ 0 0 133 -4,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.223 89.8 115.0-104.6 9.0 -16.1 34.6 62.0 66 69 A N + 0 0 57 4,-0.0 -4,-1.3 2,-0.0 2,-0.3 -0.560 35.0 158.2 -81.9 147.9 -13.4 37.1 61.3 67 70 A Q E -H 61 0B 42 -6,-0.2 -6,-0.3 -2,-0.2 3,-0.0 -0.971 34.1-120.9-159.4 159.1 -12.7 38.2 57.7 68 71 A W E S+H 60 0B 85 -8,-2.9 -8,-2.8 -2,-0.3 2,-0.2 -0.902 97.3 32.4-147.7 114.2 -11.2 41.1 55.9 69 72 A P S S- 0 0 14 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.534 111.3 -93.5 -78.6-179.8 -12.9 42.5 54.0 70 73 A G > - 0 0 29 1,-0.2 3,-2.0 -2,-0.2 -2,-0.1 0.187 56.3 -62.5 -54.8 166.4 -16.4 42.3 55.5 71 74 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 374,-0.1 -0.260 123.0 2.1 -52.4 125.4 -19.1 39.8 54.9 72 75 A G T 3 S+ 0 0 25 1,-0.3 -2,-0.1 -3,-0.2 3,-0.1 0.223 94.4 131.8 86.3 -17.3 -20.2 40.0 51.3 73 76 A E < - 0 0 71 -3,-2.0 -1,-0.3 1,-0.1 -5,-0.0 -0.453 68.3 -94.2 -69.6 143.9 -17.7 42.7 50.3 74 77 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.160 44.9-100.1 -56.0 147.2 -15.8 41.8 47.0 75 78 A G - 0 0 9 1,-0.1 2,-0.3 -3,-0.1 -16,-0.2 -0.153 42.0 -94.9 -55.7 156.8 -12.4 40.1 47.3 76 79 A F E -G 58 0B 21 -18,-3.4 -18,-2.4 188,-0.1 2,-0.6 -0.619 44.7-126.1 -68.4 138.0 -9.2 42.1 47.0 77 80 A F E -G 57 0B 74 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.844 28.7-168.5 -93.1 119.4 -8.1 41.8 43.3 78 81 A R E +G 56 0B 24 -22,-2.3 -22,-3.3 -2,-0.6 3,-0.1 -0.983 29.4 166.7-125.0 139.0 -4.5 40.6 42.6 79 82 A D S S+ 0 0 57 -24,-0.4 2,-0.3 -2,-0.3 -1,-0.1 -0.019 76.5 2.9 80.7 -76.2 -2.6 40.6 39.7 80 83 A Q S S- 0 0 65 -76,-0.0 -77,-0.1 -77,-0.0 -26,-0.0 -0.952 95.5 -29.9-167.6 160.2 0.7 39.9 41.3 81 84 A D - 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