==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-05 2D0G . COMPND 2 MOLECULE: ALPHA-AMYLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR A.ABE,H.YOSHIDA,T.TONOZUKA,Y.SAKANO,S.KAMITORI . 637 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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-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 . 51 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.7 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 2 3 3 0 0 1 0 1 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 0 PARALLEL BRIDGES PER LADDER . 7 4 3 1 2 2 2 2 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 . 5 0 0 1 2 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 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 A 0 0 72 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0 165.9 57.8 0.9 34.5 2 2 A A - 0 0 50 4,-0.3 2,-1.1 40,-0.2 4,-0.3 -0.956 360.0 -73.1-163.7 176.2 58.8 -0.6 37.9 3 3 A N S S+ 0 0 104 -2,-0.3 40,-0.1 1,-0.1 39,-0.1 -0.764 71.5 134.7 -84.8 103.3 59.0 -0.1 41.6 4 4 A D S S- 0 0 75 -2,-1.1 -1,-0.1 38,-0.4 93,-0.1 -0.046 83.1 -91.1-143.7 33.4 61.9 2.4 41.6 5 5 A N S S+ 0 0 89 1,-0.1 2,-0.3 94,-0.1 92,-0.2 0.927 99.5 108.6 52.2 45.9 61.0 5.2 44.0 6 6 A N - 0 0 71 36,-0.3 2,-0.7 -4,-0.3 -2,-0.3 -0.820 57.3-156.5-158.4 112.5 59.5 6.9 40.9 7 7 A V - 0 0 4 -2,-0.3 2,-0.9 87,-0.1 36,-0.1 -0.810 21.9-142.2 -90.6 115.6 55.9 7.6 39.9 8 8 A E >> - 0 0 60 -2,-0.7 3,-1.4 1,-0.2 4,-1.0 -0.701 8.2-161.1 -85.7 107.0 55.8 8.0 36.1 9 9 A W T 34 S+ 0 0 111 -2,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.816 84.3 69.9 -52.3 -36.2 53.3 10.7 35.2 10 10 A N T 34 S+ 0 0 107 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.797 102.1 42.3 -55.3 -35.4 53.1 9.5 31.6 11 11 A G T <4 S+ 0 0 0 -3,-1.4 -1,-0.2 28,-0.0 -2,-0.2 0.725 96.0 98.9 -85.6 -22.0 51.3 6.3 32.6 12 12 A L < + 0 0 7 -4,-1.0 2,-0.3 -3,-0.4 26,-0.2 -0.360 47.5 152.1 -68.1 141.2 49.0 8.0 35.1 13 13 A F B +A 37 0A 13 24,-1.4 24,-2.6 -2,-0.1 2,-0.2 -0.948 11.2 151.3-169.7 150.2 45.4 8.9 34.0 14 14 A H + 0 0 2 -2,-0.3 2,-0.3 22,-0.2 93,-0.1 -0.830 6.2 145.1-178.6 140.5 41.9 9.5 35.2 15 15 A D - 0 0 27 20,-0.2 20,-0.2 -2,-0.2 540,-0.1 -0.863 62.6 -83.8-160.0-176.9 38.8 11.4 34.3 16 16 A Q S S+ 0 0 11 -2,-0.3 5,-0.1 538,-0.1 539,-0.0 -0.003 78.7 129.0 -96.1 35.8 35.1 10.5 34.6 17 17 A G S >> S- 0 0 3 1,-0.1 3,-1.7 539,-0.1 4,-1.6 -0.352 78.6 -89.8 -79.1 165.8 34.8 8.6 31.4 18 18 A P T 34 S+ 0 0 56 0, 0.0 556,-0.1 0, 0.0 -1,-0.1 0.791 124.6 55.4 -44.0 -41.9 33.2 5.1 31.3 19 19 A L T 34 S+ 0 0 43 554,-0.2 3,-0.1 1,-0.2 555,-0.1 0.764 120.0 29.6 -67.3 -26.1 36.6 3.3 31.9 20 20 A F T <4 S+ 0 0 2 -3,-1.7 15,-2.0 1,-0.2 2,-0.3 0.501 121.9 41.7-114.8 -5.6 37.4 5.3 35.0 21 21 A D B < -B 34 0A 5 -4,-1.6 -1,-0.2 13,-0.2 13,-0.2 -0.928 48.7-170.9-148.5 118.7 34.0 6.1 36.6 22 22 A N S S+ 0 0 105 11,-1.5 12,-0.1 -2,-0.3 -1,-0.1 0.420 89.2 36.9 -88.5 1.8 31.0 3.8 36.9 23 23 A A + 0 0 10 10,-0.2 -1,-0.2 1,-0.1 7,-0.0 -0.504 57.7 159.3-154.7 78.0 28.7 6.6 38.1 24 24 A P S S+ 0 0 65 0, 0.0 435,-0.3 0, 0.0 97,-0.3 0.721 86.9 28.8 -72.5 -25.2 29.3 10.0 36.4 25 25 A E S S+ 0 0 38 95,-0.1 2,-0.1 433,-0.1 95,-0.1 -0.599 90.3 174.4-136.9 71.7 25.8 11.3 37.3 26 26 A P - 0 0 4 0, 0.0 97,-3.9 0, 0.0 98,-0.5 -0.339 24.6-131.4 -81.6 159.4 24.8 9.5 40.5 27 27 A T > - 0 0 55 95,-0.3 3,-1.1 96,-0.2 57,-0.3 -0.316 43.8 -85.9 -95.0-176.2 21.9 9.8 42.8 28 28 A S T 3 S+ 0 0 35 1,-0.2 58,-0.1 55,-0.1 -1,-0.0 0.766 128.9 45.0 -63.2 -25.4 22.0 10.0 46.6 29 29 A T T 3 S+ 0 0 122 54,-0.1 2,-0.5 56,-0.1 -1,-0.2 0.336 90.8 92.6-104.2 5.6 22.0 6.2 46.8 30 30 A Q < - 0 0 94 -3,-1.1 54,-0.4 54,-0.2 2,-0.2 -0.894 64.9-142.7-105.4 127.9 24.6 5.3 44.1 31 31 A S - 0 0 50 -2,-0.5 2,-0.6 52,-0.2 52,-0.1 -0.516 15.4-127.6 -82.3 153.0 28.2 4.9 45.2 32 32 A V E - C 0 81A 4 49,-2.4 49,-3.3 -2,-0.2 2,-0.6 -0.911 17.8-163.4-108.5 113.8 31.0 6.0 42.8 33 33 A T E - C 0 80A 30 -2,-0.6 -11,-1.5 47,-0.3 2,-0.3 -0.861 12.7-162.9 -98.5 119.6 33.7 3.5 42.0 34 34 A L E -BC 21 79A 0 45,-3.1 45,-1.8 -2,-0.6 2,-0.4 -0.740 8.0-158.2-104.2 148.9 36.8 5.1 40.5 35 35 A K E - C 0 78A 65 -15,-2.0 2,-0.4 -2,-0.3 -20,-0.2 -0.988 4.4-161.7-126.8 135.5 39.7 3.6 38.5 36 36 A L E - C 0 77A 0 41,-3.0 41,-3.4 -2,-0.4 2,-0.3 -0.958 11.9-140.4-118.1 135.3 43.1 5.1 38.2 37 37 A R E +AC 13 76A 5 -24,-2.6 -24,-1.4 -2,-0.4 2,-0.3 -0.740 26.6 162.2 -98.3 142.8 45.6 4.1 35.5 38 38 A T E - C 0 75A 0 37,-2.0 37,-3.8 -2,-0.3 3,-0.1 -0.963 50.0 -82.7-148.6 157.9 49.3 3.7 36.0 39 39 A F E > S- C 0 74A 21 -31,-0.3 3,-1.9 -2,-0.3 4,-0.4 -0.362 70.1 -82.0 -60.0 148.1 52.1 1.9 34.0 40 40 A K T 3 S- 0 0 106 33,-2.3 -1,-0.1 1,-0.3 28,-0.1 -0.321 112.1 -2.6 -57.3 128.9 52.0 -1.7 35.0 41 41 A G T 3 S+ 0 0 27 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.772 96.6 126.3 59.6 29.2 53.9 -2.3 38.2 42 42 A D < + 0 0 0 -3,-1.9 -38,-0.4 -41,-0.1 -36,-0.3 0.820 62.6 38.8 -86.1 -33.6 54.9 1.3 38.4 43 43 A I - 0 0 7 -4,-0.4 53,-0.3 -40,-0.1 3,-0.1 -0.535 54.0-151.5-114.4 179.8 53.6 2.2 41.9 44 44 A T S S+ 0 0 71 51,-3.0 2,-0.3 1,-0.4 52,-0.2 0.628 80.8 2.4-118.4 -34.8 53.3 0.7 45.5 45 45 A S E -E 95 0B 44 50,-1.9 50,-3.6 19,-0.0 -1,-0.4 -0.993 55.0-172.3-155.7 152.1 50.2 2.5 46.8 46 46 A A E -E 94 0B 1 17,-0.4 17,-2.4 -2,-0.3 2,-0.4 -0.991 8.8-164.9-144.1 147.3 47.5 4.9 45.7 47 47 A N E -EF 93 62B 17 46,-2.6 46,-2.4 -2,-0.3 2,-0.5 -0.993 18.9-134.4-141.0 145.5 44.7 6.7 47.6 48 48 A I E -EF 92 61B 0 13,-1.7 13,-2.0 -2,-0.4 2,-0.5 -0.839 22.6-169.0 -94.9 126.3 41.6 8.6 46.9 49 49 A K E +EF 91 60B 33 42,-3.1 42,-1.7 -2,-0.5 2,-0.4 -0.967 11.6 177.4-118.3 116.2 41.3 11.7 49.0 50 50 A Y E -EF 90 59B 17 9,-2.2 9,-2.3 -2,-0.5 2,-0.5 -0.960 26.6-141.2-128.4 140.8 37.9 13.4 48.9 51 51 A W E -EF 89 58B 81 38,-3.1 38,-2.1 -2,-0.4 2,-0.6 -0.823 20.7-154.8 -93.2 126.8 36.4 16.5 50.6 52 52 A D E >>> -EF 88 57B 16 5,-2.2 4,-1.4 -2,-0.5 3,-1.0 -0.919 13.1-153.6-108.4 121.2 32.8 15.9 51.6 53 53 A T T 345S+ 0 0 52 34,-2.4 -1,-0.1 -2,-0.6 35,-0.1 0.665 89.2 77.6 -64.2 -14.3 30.6 18.9 51.9 54 54 A A T 345S+ 0 0 67 33,-0.3 -1,-0.2 1,-0.2 34,-0.1 0.904 118.5 4.8 -63.0 -43.5 28.6 16.9 54.4 55 55 A D T <45S- 0 0 88 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.268 96.5-119.1-125.5 9.5 31.1 17.4 57.3 56 56 A N T <5S+ 0 0 109 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.904 76.2 110.9 52.1 48.3 33.6 19.8 55.7 57 57 A A E < -F 52 0B 37 -5,-1.0 -5,-2.2 -7,-0.1 2,-0.3 -0.936 69.4-104.5-144.9 164.9 36.5 17.3 56.1 58 58 A F E -F 51 0B 88 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.668 31.3-157.8 -93.0 149.5 38.7 15.1 54.0 59 59 A H E -F 50 0B 50 -9,-2.3 -9,-2.2 -2,-0.3 2,-0.4 -0.955 6.0-139.6-130.2 148.7 38.3 11.4 53.7 60 60 A W E +F 49 0B 121 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.891 17.6 175.9-113.7 135.4 40.7 8.6 52.8 61 61 A V E -F 48 0B 28 -13,-2.0 -13,-1.7 -2,-0.4 -2,-0.0 -0.761 23.8-142.7-138.6 89.7 40.0 5.5 50.6 62 62 A P E -F 47 0B 84 0, 0.0 -15,-0.2 0, 0.0 18,-0.2 -0.233 21.5-134.6 -52.6 135.3 43.0 3.3 49.9 63 63 A M - 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