==== 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 2D0F . 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) . 21749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 17.1 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 . 48 7.5 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 . 105 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 1 3 4 0 1 0 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 3 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 0 PARALLEL BRIDGES PER LADDER . 6 5 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 . 6 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 0.000 360.0 360.0 360.0 168.8 57.6 0.9 34.5 2 2 A A - 0 0 48 4,-0.3 2,-1.3 40,-0.2 4,-0.3 -0.964 360.0 -67.7-169.6 178.4 58.4 -0.6 37.9 3 3 A N S S+ 0 0 104 -2,-0.3 40,-0.1 1,-0.2 39,-0.1 -0.742 71.8 136.9 -85.0 98.8 58.6 0.1 41.6 4 4 A D S S- 0 0 80 -2,-1.3 -1,-0.2 38,-0.4 93,-0.1 -0.129 81.5 -92.4-137.2 35.3 61.6 2.5 41.4 5 5 A N S S+ 0 0 92 1,-0.1 2,-0.3 94,-0.1 92,-0.1 0.899 98.4 103.5 51.4 44.0 60.6 5.3 43.8 6 6 A N - 0 0 79 36,-0.3 2,-0.7 -4,-0.3 -2,-0.3 -0.848 60.8-149.6-160.1 120.4 59.1 7.2 40.9 7 7 A V - 0 0 3 -2,-0.3 2,-0.9 87,-0.1 36,-0.1 -0.802 23.5-139.5 -89.4 118.4 55.5 7.8 39.7 8 8 A E >> - 0 0 59 -2,-0.7 3,-1.6 1,-0.2 4,-0.5 -0.706 9.4-160.4 -84.2 106.5 55.5 8.1 35.9 9 9 A W G >4 S+ 0 0 105 -2,-0.9 3,-1.2 1,-0.3 -1,-0.2 0.810 84.8 64.9 -52.9 -38.2 53.1 11.0 35.1 10 10 A N G 34 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.718 101.1 50.3 -62.7 -21.9 52.7 9.9 31.4 11 11 A G G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 28,-0.1 2,-0.2 0.585 92.9 97.8 -92.2 -10.1 51.0 6.6 32.5 12 12 A L << + 0 0 8 -3,-1.2 2,-0.3 -4,-0.5 26,-0.2 -0.504 46.0 153.5 -80.7 144.8 48.6 8.3 34.8 13 13 A F B +A 37 0A 11 24,-1.4 24,-2.5 -2,-0.2 2,-0.3 -0.878 9.2 151.0-172.3 141.8 45.0 9.1 33.7 14 14 A H + 0 0 3 -2,-0.3 2,-0.3 22,-0.2 93,-0.1 -0.904 7.1 145.0-169.3 141.0 41.5 9.7 34.9 15 15 A D - 0 0 27 -2,-0.3 20,-0.2 20,-0.2 5,-0.1 -0.875 62.2 -87.8-160.3 178.9 38.4 11.6 33.9 16 16 A Q S S+ 0 0 8 -2,-0.3 5,-0.1 538,-0.1 539,-0.0 0.138 79.0 129.0 -92.6 28.1 34.7 10.7 34.3 17 17 A G S >> S- 0 0 4 1,-0.1 3,-1.6 539,-0.1 4,-1.4 -0.209 78.3 -89.0 -70.7 168.1 34.4 8.8 31.0 18 18 A P T 34 S+ 0 0 51 0, 0.0 556,-0.1 0, 0.0 -1,-0.1 0.778 123.6 55.6 -48.1 -39.3 32.9 5.3 30.8 19 19 A L T 34 S+ 0 0 41 554,-0.3 3,-0.1 1,-0.2 555,-0.1 0.729 119.0 30.3 -71.7 -20.3 36.3 3.5 31.4 20 20 A F T <4 S+ 0 0 2 -3,-1.6 15,-2.3 1,-0.2 2,-0.3 0.505 118.7 43.2-119.0 -5.2 37.0 5.3 34.6 21 21 A D B < -B 34 0A 7 -4,-1.4 -1,-0.2 13,-0.2 13,-0.2 -0.938 49.4-169.3-147.7 118.5 33.7 6.1 36.3 22 22 A N S S+ 0 0 106 11,-1.7 12,-0.1 -2,-0.3 -1,-0.1 0.497 88.5 37.1 -86.3 -3.8 30.6 3.8 36.6 23 23 A A + 0 0 14 10,-0.2 -1,-0.2 1,-0.1 7,-0.0 -0.484 58.3 162.1-148.2 73.0 28.3 6.5 37.8 24 24 A P S S+ 0 0 62 0, 0.0 435,-0.3 0, 0.0 97,-0.3 0.719 87.4 28.6 -64.6 -23.4 28.9 9.9 36.2 25 25 A E S S+ 0 0 37 95,-0.1 95,-0.1 433,-0.1 2,-0.0 -0.511 88.9 178.2-137.9 66.2 25.4 11.2 37.2 26 26 A P - 0 0 5 0, 0.0 97,-3.1 0, 0.0 98,-0.4 -0.272 21.3-135.8 -72.0 153.1 24.6 9.3 40.4 27 27 A T > - 0 0 53 95,-0.3 3,-1.3 96,-0.1 57,-0.4 -0.338 44.4 -83.2 -93.4-176.0 21.5 9.7 42.6 28 28 A S T 3 S+ 0 0 33 1,-0.2 58,-0.1 -2,-0.1 -1,-0.0 0.718 129.1 45.2 -62.5 -23.2 21.5 9.9 46.4 29 29 A T T 3 S+ 0 0 122 54,-0.1 2,-0.5 56,-0.1 -1,-0.2 0.306 91.1 95.6-106.1 7.6 21.7 6.1 46.7 30 30 A Q < - 0 0 95 -3,-1.3 54,-0.3 54,-0.2 2,-0.1 -0.884 62.8-144.3-106.3 125.1 24.3 5.2 44.0 31 31 A S - 0 0 56 -2,-0.5 2,-0.6 52,-0.2 52,-0.1 -0.455 16.3-128.1 -80.0 156.7 27.9 4.7 45.0 32 32 A V E - C 0 81A 4 49,-2.7 49,-3.1 -2,-0.1 2,-0.6 -0.919 16.5-163.7-114.7 112.9 30.7 5.9 42.6 33 33 A T E - C 0 80A 27 -2,-0.6 -11,-1.7 47,-0.3 2,-0.3 -0.847 14.1-167.6 -97.2 119.6 33.4 3.5 41.6 34 34 A L E -BC 21 79A 0 45,-3.2 45,-2.0 -2,-0.6 2,-0.4 -0.786 9.2-153.9-108.8 148.9 36.4 5.2 40.1 35 35 A K E - C 0 78A 62 -15,-2.3 2,-0.5 -2,-0.3 -20,-0.2 -0.983 3.0-160.2-125.4 133.3 39.4 3.8 38.2 36 36 A L E - C 0 77A 0 41,-2.9 41,-3.4 -2,-0.4 2,-0.3 -0.940 12.7-143.7-112.5 130.8 42.9 5.3 38.0 37 37 A R E +AC 13 76A 6 -24,-2.5 -24,-1.4 -2,-0.5 2,-0.3 -0.720 26.5 160.9 -94.9 143.8 45.2 4.3 35.2 38 38 A T E - C 0 75A 0 37,-1.9 37,-3.1 -2,-0.3 -26,-0.1 -0.923 50.9 -79.8-147.9 164.8 49.0 4.0 35.7 39 39 A F E > S- C 0 74A 24 -31,-0.3 3,-1.9 -2,-0.3 4,-0.3 -0.409 70.2 -80.2 -65.4 152.4 51.7 2.2 33.7 40 40 A K T 3 S- 0 0 104 33,-2.7 -1,-0.1 1,-0.3 28,-0.1 -0.320 112.4 -2.8 -57.7 130.5 51.7 -1.5 34.6 41 41 A G T 3 S+ 0 0 30 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.672 96.0 126.7 60.9 21.0 53.5 -2.2 37.9 42 42 A D < + 0 0 0 -3,-1.9 -38,-0.4 -41,-0.1 -36,-0.3 0.752 61.2 40.7 -81.1 -25.4 54.5 1.5 38.3 43 43 A I - 0 0 9 -4,-0.3 53,-0.3 -40,-0.1 3,-0.1 -0.718 53.2-150.8-124.4 172.1 53.2 2.2 41.8 44 44 A T S S- 0 0 73 51,-2.6 2,-0.3 1,-0.4 52,-0.2 0.620 81.9 -5.7-110.7 -24.8 52.9 0.8 45.3 45 45 A S E -E 95 0B 44 50,-2.0 50,-3.3 19,-0.0 -1,-0.4 -0.974 52.3-167.0-168.1 155.7 49.7 2.5 46.4 46 46 A A E -E 94 0B 1 17,-0.4 17,-2.8 -2,-0.3 2,-0.4 -0.990 8.9-163.1-147.2 148.0 47.0 5.1 45.5 47 47 A N E -EF 93 62B 18 46,-2.6 46,-2.6 -2,-0.3 2,-0.6 -0.994 17.7-134.7-138.7 143.2 44.3 6.8 47.4 48 48 A I E -EF 92 61B 0 13,-2.6 13,-2.6 -2,-0.4 2,-0.5 -0.846 22.3-166.8 -94.6 125.0 41.2 8.8 46.6 49 49 A K E +EF 91 60B 34 42,-2.8 42,-2.3 -2,-0.6 2,-0.4 -0.970 12.8 177.5-114.1 121.4 40.9 11.9 48.7 50 50 A Y E -EF 90 59B 17 9,-2.4 9,-2.2 -2,-0.5 2,-0.4 -0.983 26.6-138.3-133.8 139.6 37.5 13.6 48.6 51 51 A W E -EF 89 58B 75 38,-2.9 38,-1.9 -2,-0.4 2,-0.6 -0.771 19.5-153.4 -90.0 130.1 35.9 16.6 50.3 52 52 A D E >>> -EF 88 57B 15 5,-2.3 4,-1.1 -2,-0.4 5,-1.1 -0.928 11.1-158.4-110.4 118.2 32.4 16.0 51.5 53 53 A T T 345S+ 0 0 53 34,-2.2 -1,-0.1 -2,-0.6 35,-0.1 0.644 89.0 74.9 -66.0 -13.5 30.1 19.1 51.7 54 54 A A T 345S+ 0 0 70 33,-0.3 -1,-0.3 1,-0.2 34,-0.1 0.903 119.9 7.9 -65.7 -40.2 28.0 17.1 54.1 55 55 A D T <45S- 0 0 82 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.239 96.6-119.7-127.2 14.7 30.6 17.5 56.9 56 56 A N T <5S+ 0 0 114 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.890 76.2 108.3 48.7 48.5 33.1 20.0 55.4 57 57 A A E - 0 0 7 5,-1.3 3,-1.9 -2,-0.2 -1,-0.1 -0.449 42.4 -95.1 -86.2 168.1 44.5 -2.9 29.7 70 70 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 530,-0.0 0.788 124.7 54.2 -55.5 -28.0 44.3 -5.2 26.7 71 71 A T T 3 S- 0 0 48 526,-0.1 532,-0.1 531,-0.0 530,-0.0 0.533 105.5-126.0 -84.9 -4.9 47.8 -4.3 25.6 72 72 A G S < S+ 0 0 38 -3,-1.9 -32,-0.1 2,-0.1 3,-0.0 0.708 82.9 110.2 68.4 19.0 49.4 -5.2 29.0 73 73 A T S S+ 0 0 52 524,-0.1 -33,-2.7 -34,-0.1 2,-0.3 0.767 70.7 40.6 -94.6 -31.2 50.9 -1.7 29.1 74 74 A F E -C 39 0A 0 -35,-0.3 -5,-1.3 -34,-0.1 2,-0.3 -0.773 62.6-141.7-121.4 164.9 48.8 -0.2 31.9 75 75 A D E -CD 38 68A 10 -37,-3.1 -37,-1.9 -2,-0.3 2,-0.5 -0.851 13.7-146.7-115.5 153.5 47.2 -1.0 35.3 76 76 A Y E -CD 37 67A 25 -9,-2.6 -10,-2.6 -2,-0.3 -9,-1.4 -0.985 11.9-161.4-125.2 118.1 43.8 0.2 36.5 77 77 A W E -CD 36 65A 32 -41,-3.4 -41,-2.9 -2,-0.5 2,-0.3 -0.789 10.9-150.0 -98.9 145.0 43.4 0.9 40.2 78 78 A K E +CD 35 64A 52 -14,-3.2 -14,-2.5 -2,-0.3 2,-0.3 -0.875 22.1 161.4-121.9 150.0 39.9 1.0 41.7 79 79 A G E -C 34 0A 6 -45,-2.0 -45,-3.2 -2,-0.3 2,-0.4 -0.971 23.3-139.0-158.9 147.5 38.2 2.8 44.6 80 80 A T E -C 33 0A 55 -2,-0.3 -47,-0.3 -47,-0.3 -32,-0.1 -0.950 2.1-151.7-121.6 131.7 34.6 3.6 45.6 81 81 A I E -C 32 0A 1 -49,-3.1 -49,-2.7 -2,-0.4 -2,-0.0 -0.865 36.0-113.0 -96.4 123.8 33.1 6.7 47.0 82 82 A P - 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