==== 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 SUGAR-BINDING PROTEIN 12-OCT-05 2C3W . COMPND 2 MOLECULE: ALPHA-AMYLASE G-6; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.B.BORASTON,M.HEALEY,J.KLASSEN,E.FICKO-BLEAN, . 378 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 36.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 32 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.3 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 . 4 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 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 0 PARALLEL BRIDGES PER LADDER . 3 12 0 8 0 8 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 5 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 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 8 A D 0 0 176 0, 0.0 51,-0.1 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 141.3 -10.3 8.8 34.6 2 9 A A + 0 0 49 77,-0.2 51,-0.9 1,-0.1 52,-0.2 -0.168 360.0 169.8 -66.8 151.0 -7.7 8.0 32.0 3 10 A T + 0 0 65 49,-0.2 51,-0.3 1,-0.2 -1,-0.1 0.651 53.6 60.0-121.6 -78.8 -8.6 6.8 28.5 4 11 A D S S- 0 0 61 75,-0.2 76,-2.8 1,-0.1 2,-0.7 -0.161 77.2-124.1 -60.3 154.0 -5.8 6.7 26.0 5 12 A I E -Ab 48 80A 0 43,-2.6 43,-2.7 74,-0.3 2,-0.5 -0.893 30.1-172.3-104.5 108.6 -2.8 4.6 26.6 6 13 A T E -Ab 47 81A 24 74,-2.7 76,-2.2 -2,-0.7 2,-0.4 -0.881 2.9-171.4-110.9 129.7 0.4 6.8 26.5 7 14 A I E -Ab 46 82A 0 39,-2.6 39,-1.8 -2,-0.5 2,-0.4 -0.980 16.8-162.7-129.6 121.8 3.8 5.1 26.6 8 15 A Y E -Ab 45 83A 18 74,-2.4 76,-2.9 -2,-0.4 2,-0.4 -0.922 20.1-166.0 -95.4 137.1 7.3 6.5 27.0 9 16 A Y E -Ab 44 84A 9 35,-2.7 35,-2.4 -2,-0.4 2,-0.6 -0.986 17.8-136.3-133.0 122.1 9.9 3.9 25.9 10 17 A K E +A 43 0A 88 74,-2.7 76,-0.3 -2,-0.4 2,-0.3 -0.659 50.2 130.8 -77.0 114.6 13.6 4.1 26.6 11 18 A T - 0 0 22 31,-1.7 -2,-0.1 -2,-0.6 31,-0.1 -0.970 53.8-151.8-160.1 153.3 15.5 3.0 23.4 12 19 A G + 0 0 72 -2,-0.3 -1,-0.1 3,-0.0 31,-0.1 0.438 61.4 123.3 -98.8 -3.1 18.2 4.0 21.0 13 20 A W - 0 0 72 1,-0.1 -2,-0.1 2,-0.1 50,-0.1 -0.334 55.6-149.0 -55.6 136.8 16.5 2.2 18.2 14 21 A T S S+ 0 0 62 1,-0.2 -1,-0.1 48,-0.1 49,-0.1 0.690 92.7 33.7 -79.9 -27.9 15.9 4.7 15.3 15 22 A H S S+ 0 0 55 47,-0.3 -1,-0.2 2,-0.0 21,-0.1 -0.419 82.0 175.3-126.3 54.0 12.7 3.0 14.0 16 23 A P - 0 0 7 0, 0.0 19,-2.2 0, 0.0 2,-0.3 -0.327 5.8-173.5 -66.6 136.8 11.0 1.7 17.2 17 24 A H E -EF 34 61B 30 44,-2.8 44,-2.4 17,-0.3 2,-0.5 -0.977 19.7-139.0-126.9 154.3 7.6 0.2 16.8 18 25 A I E -EF 33 60B 0 15,-3.2 15,-2.5 -2,-0.3 2,-0.5 -0.952 13.5-165.7-114.6 121.4 5.0 -1.1 19.2 19 26 A H E + F 0 59B 26 40,-2.6 40,-2.6 -2,-0.5 2,-0.3 -0.944 29.3 157.0-106.6 125.5 3.2 -4.3 18.3 20 27 A Y E - F 0 58B 36 -2,-0.5 8,-2.3 38,-0.2 2,-0.5 -0.953 48.3-136.1-152.7 159.9 0.2 -4.9 20.4 21 28 A S E -GF 27 57B 0 36,-2.3 36,-2.1 -2,-0.3 2,-0.5 -0.996 30.1-149.7-117.8 119.3 -3.3 -6.3 21.2 22 29 A L E > S- F 0 56B 45 4,-0.7 3,-2.1 -2,-0.5 34,-0.2 -0.819 75.4 -15.5 -95.4 126.6 -5.6 -3.7 22.7 23 30 A N T 3 S- 0 0 82 32,-3.2 -1,-0.2 -2,-0.5 33,-0.1 0.856 126.8 -57.8 49.7 42.4 -8.2 -5.0 25.2 24 31 A Q T 3 S+ 0 0 163 -3,-0.5 -1,-0.3 31,-0.2 3,-0.1 0.577 108.6 128.8 65.6 18.5 -7.6 -8.5 24.0 25 32 A G < - 0 0 36 -3,-2.1 -1,-0.1 1,-0.2 -2,-0.1 0.126 65.3 -37.5 -83.6-166.6 -8.4 -7.7 20.4 26 33 A A - 0 0 91 1,-0.1 -4,-0.7 -5,-0.1 2,-0.3 -0.203 61.6-115.4 -54.8 142.1 -6.6 -8.3 17.2 27 34 A W B -G 21 0B 95 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.658 39.7-102.1 -73.7 143.6 -2.8 -8.0 17.2 28 35 A T - 0 0 29 -8,-2.3 2,-0.3 -2,-0.3 -1,-0.1 -0.267 44.5 -88.1 -55.1 151.6 -1.5 -5.2 15.0 29 36 A T S > S- 0 0 107 1,-0.1 3,-2.5 2,-0.1 -1,-0.1 -0.449 74.1 -68.7 -56.9 124.3 -0.1 -6.0 11.6 30 37 A L T 3 S+ 0 0 55 1,-0.3 -1,-0.1 -2,-0.3 131,-0.1 -0.332 122.5 24.3 -56.4 135.8 3.6 -6.7 12.2 31 38 A P T 3 S- 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.930 99.2-149.7 -95.9 17.3 5.8 -4.7 13.0 32 39 A G < - 0 0 17 -3,-2.5 -13,-0.3 -15,-0.1 28,-0.0 -0.562 38.9 -24.6 89.6-155.9 3.1 -2.5 14.5 33 40 A V E -E 18 0B 48 -15,-2.5 -15,-3.2 -2,-0.2 2,-0.1 -0.783 63.8-114.6-103.8 136.4 2.8 1.2 15.0 34 41 A P E -E 17 0B 74 0, 0.0 2,-0.3 0, 0.0 -17,-0.3 -0.368 20.1-136.4 -67.9 144.1 5.9 3.5 15.1 35 42 A L - 0 0 12 -19,-2.2 2,-0.2 11,-0.1 11,-0.2 -0.753 22.1-136.8 -89.5 152.0 6.8 5.5 18.2 36 43 A T E -C 45 0A 82 9,-2.8 9,-2.5 -2,-0.3 -21,-0.0 -0.637 30.7 -80.7-109.1 162.3 7.8 9.1 17.7 37 44 A K E -C 44 0A 165 7,-0.2 2,-0.2 -2,-0.2 7,-0.2 -0.291 51.9-146.2 -61.3 138.7 10.6 11.2 19.3 38 45 A S - 0 0 22 5,-1.5 5,-0.1 2,-0.4 4,-0.1 -0.641 27.5-102.1-100.0 176.9 9.6 12.4 22.8 39 46 A E S S+ 0 0 100 -2,-0.2 2,-0.4 2,-0.1 5,-0.1 0.371 105.0 74.3 -74.1 -2.7 10.4 15.5 24.7 40 47 A Y S > S- 0 0 94 3,-0.3 3,-1.7 0, 0.0 -2,-0.4 -0.970 89.5-115.7-118.2 127.1 13.0 13.5 26.7 41 48 A E T 3 S+ 0 0 199 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.341 101.6 21.7 -62.4 136.8 16.4 12.4 25.2 42 49 A G T 3 S+ 0 0 47 1,-0.2 -31,-1.7 -4,-0.1 2,-0.4 0.459 108.9 93.5 88.2 -2.5 16.7 8.6 25.0 43 50 A Y E < -A 10 0A 42 -3,-1.7 -5,-1.5 -33,-0.3 -3,-0.3 -0.980 50.8-168.2-125.6 135.8 12.8 8.0 25.0 44 51 A V E -AC 9 37A 14 -35,-2.4 -35,-2.7 -2,-0.4 2,-0.3 -0.669 17.3-156.1-107.1 172.4 10.3 7.7 22.2 45 52 A K E -AC 8 36A 65 -9,-2.5 -9,-2.8 -2,-0.2 2,-0.3 -0.986 16.0-177.5-149.2 160.1 6.6 7.9 22.8 46 53 A V E -A 7 0A 14 -39,-1.8 -39,-2.6 -2,-0.3 2,-0.5 -0.981 15.8-147.7-154.7 147.6 3.2 6.9 21.5 47 54 A T E -A 6 0A 74 -2,-0.3 2,-0.6 -41,-0.2 -41,-0.2 -0.993 13.1-159.1-119.0 121.4 -0.4 7.3 22.4 48 55 A I E -A 5 0A 8 -43,-2.7 -43,-2.6 -2,-0.5 2,-0.2 -0.902 26.1-118.8 -97.3 117.7 -2.8 4.5 21.5 49 56 A E + 0 0 167 -2,-0.6 2,-0.3 -45,-0.2 -45,-0.1 -0.426 51.2 150.3 -57.5 127.9 -6.4 5.6 21.3 50 57 A A - 0 0 13 -2,-0.2 2,-0.1 4,-0.1 3,-0.1 -0.990 41.5-108.5-157.9 159.7 -8.5 3.8 23.9 51 58 A E > - 0 0 161 -2,-0.3 3,-0.9 1,-0.2 28,-0.1 -0.415 56.2 -69.8 -82.4 163.2 -11.5 4.0 26.1 52 59 A E T 3 S+ 0 0 117 1,-0.2 -49,-0.2 -2,-0.1 -1,-0.2 -0.104 119.2 23.5 -46.2 139.2 -11.6 4.3 29.8 53 60 A G T 3 S+ 0 0 72 -51,-0.9 -1,-0.2 1,-0.2 2,-0.1 0.782 90.8 151.4 70.3 26.4 -10.4 1.3 31.7 54 61 A S < - 0 0 6 -3,-0.9 25,-2.1 -51,-0.3 2,-0.3 -0.446 24.9-174.0 -86.2 162.0 -8.3 -0.1 28.8 55 62 A Q E - H 0 78B 100 23,-0.3 -32,-3.2 -2,-0.1 2,-0.3 -0.978 3.1-165.7-146.7 147.9 -5.3 -2.3 28.8 56 63 A L E -FH 22 77B 1 21,-2.6 21,-2.4 -2,-0.3 2,-0.4 -0.953 15.6-138.5-132.3 158.0 -3.0 -3.5 26.0 57 64 A R E -FH 21 76B 78 -36,-2.1 -36,-2.3 -2,-0.3 2,-0.3 -0.953 33.8-176.8-111.9 134.5 -0.3 -6.2 25.7 58 65 A A E -FH 20 75B 0 17,-2.5 17,-3.0 -2,-0.4 2,-0.4 -0.972 28.8-168.9-141.3 146.9 2.8 -5.1 23.8 59 66 A A E -F 19 0B 5 -40,-2.6 -40,-2.6 -2,-0.3 2,-0.3 -0.991 25.0-142.4-129.8 136.2 6.1 -6.2 22.4 60 67 A F E -FI 18 68B 0 8,-2.5 8,-2.9 -2,-0.4 2,-0.3 -0.712 19.7-179.4 -96.3 152.4 8.5 -3.6 21.0 61 68 A N E -FI 17 67B 0 -44,-2.4 -44,-2.8 -2,-0.3 6,-0.2 -0.973 37.4-120.5-148.7 165.4 10.8 -3.9 18.0 62 69 A N - 0 0 35 4,-2.4 -47,-0.3 -2,-0.3 -48,-0.1 0.257 58.2-103.7 -91.4 13.2 13.4 -2.0 16.1 63 70 A G S S+ 0 0 16 3,-0.3 4,-0.1 -32,-0.1 -1,-0.1 0.370 113.6 70.1 80.3 -2.1 11.4 -2.1 12.8 64 71 A S S S- 0 0 27 2,-0.2 99,-0.1 98,-0.1 3,-0.1 -0.070 122.4 -80.6-135.2 31.4 13.8 -4.8 11.4 65 72 A G S S+ 0 0 6 1,-0.3 2,-0.5 97,-0.1 97,-0.2 0.598 88.0 125.8 83.8 10.2 12.9 -7.9 13.5 66 73 A Q - 0 0 83 95,-0.2 -4,-2.4 2,-0.0 -1,-0.3 -0.909 45.6-155.6 -98.8 136.3 14.8 -7.3 16.7 67 74 A W E -I 61 0B 47 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.3 -0.729 34.4-164.0-120.7 154.0 12.5 -7.4 19.8 68 75 A D E +I 60 0B 28 -8,-2.9 -8,-2.5 -2,-0.3 -2,-0.0 -0.895 32.1 153.3-128.7 95.7 12.0 -6.3 23.3 69 76 A N > - 0 0 26 -2,-0.4 5,-3.0 -10,-0.2 4,-0.3 0.108 61.1-104.4-120.9 23.2 9.3 -8.6 24.6 70 77 A N T > 5S- 0 0 29 1,-0.2 3,-1.7 2,-0.2 -2,-0.0 0.937 86.2 -44.3 59.8 50.7 9.8 -8.9 28.4 71 78 A Q T 3 5S- 0 0 51 1,-0.3 -1,-0.2 2,-0.1 284,-0.1 0.819 111.5 -56.5 61.7 35.5 11.3 -12.4 28.5 72 79 A G T 3 5S+ 0 0 40 1,-0.0 -1,-0.3 288,-0.0 -2,-0.2 0.405 126.2 99.0 80.8 1.5 8.7 -13.5 26.0 73 80 A R T < 5S- 0 0 125 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.592 78.4-135.2 -92.9 -14.0 5.8 -12.4 28.3 74 81 A D < - 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