==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUN-03 1UH3 . COMPND 2 MOLECULE: ALPHA-AMYLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR A.ABE,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) . 21867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 64.5 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 . 74 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 16.3 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 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 75 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0 -32.1 57.7 0.7 34.5 2 2 A A - 0 0 45 4,-0.3 2,-1.2 40,-0.1 4,-0.3 -0.986 360.0 -78.2-171.1 175.3 58.9 -0.5 37.9 3 3 A N + 0 0 109 -2,-0.3 40,-0.1 1,-0.1 39,-0.1 -0.786 69.1 134.1 -90.2 97.6 59.2 0.1 41.7 4 4 A D S S- 0 0 79 -2,-1.2 -1,-0.1 38,-0.4 3,-0.1 -0.058 82.2 -92.4-138.9 35.0 62.0 2.6 41.7 5 5 A N S S+ 0 0 86 1,-0.1 2,-0.3 94,-0.1 92,-0.1 0.906 98.8 106.7 52.6 41.3 61.1 5.4 44.0 6 6 A N - 0 0 74 36,-0.3 2,-0.6 -4,-0.3 -2,-0.3 -0.859 60.5-151.2-155.3 116.9 59.6 7.2 41.0 7 7 A V - 0 0 5 -2,-0.3 2,-0.8 87,-0.1 36,-0.1 -0.775 22.9-139.4 -87.3 118.5 56.0 7.7 39.9 8 8 A E >> - 0 0 53 -2,-0.6 3,-1.4 1,-0.2 4,-0.8 -0.720 10.4-162.2 -85.4 109.5 55.9 7.9 36.1 9 9 A W G >4 S+ 0 0 114 -2,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.818 85.1 64.6 -56.9 -37.7 53.5 10.7 35.2 10 10 A N G 34 S+ 0 0 120 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.691 102.0 50.2 -63.0 -20.4 53.1 9.5 31.6 11 11 A G G <4 S+ 0 0 0 -3,-1.4 -1,-0.2 28,-0.1 -2,-0.2 0.715 94.0 96.7 -89.6 -21.5 51.5 6.3 32.9 12 12 A L << + 0 0 9 -4,-0.8 2,-0.3 -3,-0.7 26,-0.2 -0.378 46.3 148.5 -72.6 142.2 49.0 8.1 35.1 13 13 A F B +A 37 0A 14 24,-1.4 24,-2.1 -2,-0.1 2,-0.2 -0.945 8.8 148.7-171.3 151.7 45.4 9.0 34.1 14 14 A H + 0 0 3 -2,-0.3 2,-0.3 22,-0.2 93,-0.1 -0.815 5.4 146.5 178.5 141.5 41.9 9.5 35.2 15 15 A D - 0 0 25 20,-0.2 20,-0.2 -2,-0.2 5,-0.1 -0.898 63.3 -82.6-162.4-179.2 38.7 11.4 34.4 16 16 A Q S S+ 0 0 12 -2,-0.3 5,-0.0 4,-0.1 539,-0.0 0.071 81.7 128.9 -89.7 32.0 35.0 10.6 34.7 17 17 A G S >> S- 0 0 3 1,-0.1 4,-2.0 539,-0.1 3,-1.7 -0.307 78.3 -91.5 -75.9 166.0 34.9 8.7 31.4 18 18 A P T 34 S+ 0 0 53 0, 0.0 556,-0.1 0, 0.0 -1,-0.1 0.778 122.9 56.3 -48.8 -38.2 33.4 5.2 31.3 19 19 A L T 34 S+ 0 0 39 554,-0.3 3,-0.1 1,-0.2 555,-0.1 0.733 120.7 28.0 -69.6 -21.2 36.7 3.4 31.9 20 20 A F T <4 S+ 0 0 4 -3,-1.7 15,-2.0 1,-0.2 2,-0.4 0.620 116.9 48.1-118.0 -17.3 37.3 5.2 35.2 21 21 A D B < -B 34 0A 7 -4,-2.0 -1,-0.2 13,-0.2 13,-0.2 -0.958 51.1-168.7-132.9 114.9 34.0 6.3 36.7 22 22 A N S S+ 0 0 103 11,-1.8 12,-0.1 -2,-0.4 -1,-0.1 0.517 88.7 29.3 -78.1 -5.1 31.1 3.8 37.1 23 23 A A + 0 0 14 10,-0.3 -1,-0.3 1,-0.1 7,-0.0 -0.532 58.4 165.5-159.1 84.8 28.7 6.6 38.0 24 24 A P S S+ 0 0 63 0, 0.0 435,-0.3 0, 0.0 97,-0.3 0.599 86.2 32.8 -75.0 -17.0 29.3 10.1 36.6 25 25 A E S S+ 0 0 40 95,-0.1 2,-0.1 433,-0.1 95,-0.0 -0.603 87.2 174.7-141.7 74.8 25.8 11.4 37.5 26 26 A P - 0 0 6 0, 0.0 97,-3.9 0, 0.0 98,-0.5 -0.468 24.3-132.7 -87.6 154.6 24.8 9.5 40.7 27 27 A T > - 0 0 56 95,-0.3 3,-1.6 96,-0.2 57,-0.3 -0.322 45.2 -84.2 -91.3 179.9 21.8 9.9 43.0 28 28 A S T 3 S+ 0 0 35 1,-0.3 58,-0.1 55,-0.1 -1,-0.0 0.749 129.0 45.9 -57.3 -26.3 21.9 10.2 46.8 29 29 A T T 3 S+ 0 0 120 54,-0.1 2,-0.5 56,-0.1 -1,-0.3 0.277 90.5 99.8-104.8 11.0 22.0 6.4 47.1 30 30 A Q < - 0 0 94 -3,-1.6 54,-0.3 54,-0.2 2,-0.2 -0.866 62.3-135.7-107.9 131.8 24.6 5.5 44.4 31 31 A S - 0 0 60 -2,-0.5 2,-0.7 52,-0.2 -4,-0.1 -0.508 12.3-138.9 -79.4 144.9 28.3 4.6 45.1 32 32 A V E - C 0 81A 5 49,-2.1 49,-3.0 -2,-0.2 2,-0.6 -0.914 14.8-165.2-108.3 111.4 31.0 6.1 42.9 33 33 A T E - C 0 80A 36 -2,-0.7 -11,-1.8 47,-0.2 2,-0.3 -0.873 10.9-161.7 -98.4 123.3 33.7 3.6 42.1 34 34 A L E -BC 21 79A 0 45,-3.1 45,-1.7 -2,-0.6 2,-0.5 -0.787 7.0-157.0-106.9 147.3 36.9 5.2 40.7 35 35 A K E - C 0 78A 65 -15,-2.0 2,-0.4 -2,-0.3 43,-0.2 -0.986 3.0-161.1-127.9 128.0 39.7 3.7 38.7 36 36 A L E - C 0 77A 0 41,-3.9 41,-3.6 -2,-0.5 2,-0.4 -0.842 11.4-146.5-104.6 143.0 43.2 5.2 38.5 37 37 A R E +AC 13 76A 4 -24,-2.1 -24,-1.4 -2,-0.4 2,-0.3 -0.895 24.5 159.9-113.4 141.0 45.5 4.1 35.7 38 38 A T E - C 0 75A 0 37,-2.3 37,-3.8 -2,-0.4 -26,-0.1 -0.958 50.3 -79.3-148.9 162.7 49.3 3.8 36.0 39 39 A F E > S- C 0 74A 24 -31,-0.4 3,-1.4 -2,-0.3 4,-0.3 -0.362 70.4 -85.3 -60.7 149.0 52.1 2.0 34.1 40 40 A K T 3 S+ 0 0 110 33,-2.6 -1,-0.1 1,-0.3 34,-0.1 -0.397 109.4 0.8 -63.4 129.9 52.1 -1.6 35.2 41 41 A G T 3 S+ 0 0 29 -2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.763 95.5 122.3 64.8 29.3 54.1 -2.2 38.3 42 42 A D < + 0 0 0 -3,-1.4 -38,-0.4 -41,-0.1 -36,-0.3 0.746 61.9 45.3 -92.6 -27.5 55.0 1.4 38.7 43 43 A I - 0 0 9 -4,-0.3 53,-0.3 -40,-0.1 3,-0.1 -0.642 53.3-152.3-117.8 173.5 53.6 2.2 42.2 44 44 A T S S- 0 0 73 51,-3.1 2,-0.3 1,-0.4 52,-0.2 0.631 81.2 -8.9-112.0 -27.7 53.5 0.8 45.8 45 45 A S E -E 95 0B 44 50,-2.0 50,-2.9 19,-0.0 -1,-0.4 -0.980 54.1-166.1-167.3 157.4 50.2 2.4 46.9 46 46 A A E -E 94 0B 1 17,-0.4 17,-2.8 -2,-0.3 2,-0.3 -0.985 8.6-169.7-148.3 152.3 47.5 4.9 45.9 47 47 A N E -EF 93 62B 13 46,-2.2 46,-2.3 -2,-0.3 2,-0.5 -0.984 21.2-127.6-146.0 156.5 44.6 6.7 47.7 48 48 A I E -EF 92 61B 0 13,-2.0 13,-2.3 -2,-0.3 2,-0.5 -0.893 20.9-167.2-104.1 128.0 41.6 8.8 47.1 49 49 A K E +EF 91 60B 31 42,-2.8 42,-1.6 -2,-0.5 2,-0.4 -0.967 14.7 175.5-117.7 116.7 41.3 12.0 49.1 50 50 A Y E -EF 90 59B 17 9,-2.0 9,-2.7 -2,-0.5 2,-0.6 -0.942 28.0-138.2-127.8 147.7 37.9 13.7 49.1 51 51 A W E -EF 89 58B 79 38,-3.4 38,-2.1 -2,-0.4 2,-0.6 -0.875 19.0-155.7 -99.3 123.5 36.3 16.7 50.7 52 52 A D E >>> -EF 88 57B 19 5,-2.1 4,-1.3 -2,-0.6 3,-1.1 -0.910 9.1-154.5-104.6 122.0 32.7 16.0 51.8 53 53 A T T 345S+ 0 0 53 34,-2.2 -1,-0.1 -2,-0.6 35,-0.1 0.556 86.5 76.8 -69.0 -7.7 30.6 19.1 52.1 54 54 A A T 345S+ 0 0 73 33,-0.3 -1,-0.2 1,-0.2 34,-0.1 0.785 119.4 6.5 -74.9 -29.6 28.4 17.3 54.7 55 55 A D T <45S- 0 0 89 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.314 98.8-119.9-133.0 4.9 30.9 17.7 57.5 56 56 A N T <5S+ 0 0 104 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.934 72.0 115.6 54.0 54.5 33.5 19.9 55.9 57 57 A A E < -F 52 0B 33 -5,-1.1 -5,-2.1 -7,-0.0 2,-0.3 -0.965 67.3-105.0-147.9 162.3 36.4 17.5 56.2 58 58 A F E -F 51 0B 90 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.702 34.2-163.4 -90.7 141.3 38.8 15.3 54.2 59 59 A H E -F 50 0B 50 -9,-2.7 -9,-2.0 -2,-0.3 2,-0.4 -0.914 8.0-135.5-125.9 153.7 38.2 11.6 54.0 60 60 A W E +F 49 0B 127 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.917 18.5 176.7-119.4 133.6 40.5 8.8 52.9 61 61 A V E -F 48 0B 28 -13,-2.3 -13,-2.0 -2,-0.4 -2,-0.0 -0.846 22.4-144.8-132.6 96.7 40.0 5.7 50.7 62 62 A P E -F 47 0B 84 0, 0.0 -15,-0.3 0, 0.0 18,-0.2 -0.316 22.5-134.3 -58.4 141.0 43.0 3.5 50.0 63 63 A M - 0 0 12 -17,-2.8 -17,-0.4 16,-0.1 2,-0.4 -0.648 12.5-149.5 -99.0 157.5 42.9 2.0 46.5 64 64 A V E -D 78 0A 79 14,-2.6 14,-3.2 -2,-0.2 2,-0.1 -0.961 29.8 -97.6-127.6 142.9 43.5 -1.6 45.4 65 65 A W E +D 77 0A 119 -2,-0.4 12,-0.3 12,-0.2 3,-0.1 -0.368 40.8 176.7 -58.0 127.8 44.9 -3.0 42.2 66 66 A D E - 0 0 50 10,-4.0 2,-0.3 1,-0.3 11,-0.2 0.854 47.6 -52.2-101.2 -51.4 42.0 -4.0 40.0 67 67 A S E -D 76 0A 41 9,-1.3 9,-2.5 0, 0.0 -1,-0.3 -0.979 45.1 -90.7-172.2-178.0 43.5 -5.2 36.7 68 68 A N E -D 75 0A 65 -2,-0.3 7,-0.2 7,-0.2 0, 0.0 -0.759 41.9-112.3-108.4 156.3 45.8 -4.8 33.7 69 69 A D > - 0 0 6 5,-1.3 3,-3.1 -2,-0.3 5,-0.1 -0.481 42.2 -92.3 -84.0 162.6 44.7 -3.2 30.3 70 70 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 531,-0.0 0.747 127.2 50.3 -44.4 -33.5 44.5 -5.4 27.2 71 71 A T T 3 S- 0 0 49 526,-0.1 530,-0.0 531,-0.1 529,-0.0 0.350 106.0-126.3 -90.9 5.3 48.1 -4.6 26.2 72 72 A G S < S+ 0 0 41 -3,-3.1 -32,-0.1 1,-0.1 3,-0.1 0.777 82.3 110.5 56.0 27.6 49.5 -5.4 29.7 73 73 A T + 0 0 50 524,-0.1 -33,-2.6 -4,-0.1 2,-0.3 0.692 69.0 48.0-102.6 -24.7 51.1 -2.0 29.8 74 74 A F E -C 39 0A 0 -35,-0.3 -5,-1.3 -5,-0.1 2,-0.4 -0.816 63.1-143.3-122.8 160.3 48.9 -0.4 32.5 75 75 A D E -CD 38 68A 10 -37,-3.8 -37,-2.3 -2,-0.3 2,-0.5 -0.885 13.5-148.9-113.4 146.0 47.6 -1.1 35.9 76 76 A Y E -CD 37 67A 23 -9,-2.5 -10,-4.0 -2,-0.4 -9,-1.3 -0.979 11.3-165.4-119.1 121.1 44.1 0.0 37.1 77 77 A W E -CD 36 65A 34 -41,-3.6 -41,-3.9 -2,-0.5 2,-0.3 -0.878 9.9-157.6-106.0 139.1 43.7 0.8 40.7 78 78 A K E +CD 35 64A 82 -14,-3.2 -14,-2.6 -2,-0.4 2,-0.3 -0.826 20.0 161.9-120.8 158.2 40.2 1.2 42.3 79 79 A G E -C 34 0A 8 -45,-1.7 -45,-3.1 -2,-0.3 2,-0.4 -0.951 25.1-134.5-161.7 156.2 38.6 2.8 45.2 80 80 A T E -C 33 0A 59 -2,-0.3 -47,-0.2 -47,-0.2 -32,-0.1 -0.977 1.8-149.3-128.1 134.4 35.0 3.6 46.1 81 81 A I E -C 32 0A 1 -49,-3.0 -49,-2.1 -2,-0.4 -2,-0.0 -0.893 36.2-112.7 -99.4 121.9 33.4 6.8 47.5 82 82 A P - 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