==== 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 24-JUN-03 1UH4 . 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) . 21668.0 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 . 37 5.8 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 . 104 16.3 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 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 . 2 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 71 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0 165.4 57.9 0.9 34.5 2 2 A A - 0 0 50 4,-0.3 2,-1.3 40,-0.2 4,-0.3 -0.931 360.0 -71.6-163.9-178.6 58.9 -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 -0.787 72.2 137.5 -91.2 94.8 59.0 -0.0 41.6 4 4 A D S S- 0 0 74 -2,-1.3 -1,-0.2 38,-0.4 3,-0.1 -0.111 81.1 -93.1-132.7 31.8 61.9 2.4 41.4 5 5 A N S S+ 0 0 89 1,-0.1 2,-0.3 94,-0.1 92,-0.1 0.910 97.9 104.1 53.4 45.0 60.9 5.1 43.8 6 6 A N - 0 0 79 36,-0.3 2,-0.6 -4,-0.3 -2,-0.3 -0.817 61.2-148.8-161.5 116.9 59.4 7.1 41.0 7 7 A V - 0 0 4 -2,-0.3 2,-0.9 87,-0.1 3,-0.1 -0.755 24.0-139.3 -84.5 121.9 55.8 7.6 39.8 8 8 A E >> - 0 0 56 -2,-0.6 3,-1.6 1,-0.2 4,-0.7 -0.738 10.4-162.5 -87.9 106.1 55.7 8.0 36.1 9 9 A W G >4 S+ 0 0 116 -2,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.849 84.9 67.2 -52.7 -40.0 53.3 10.8 35.2 10 10 A N G 34 S+ 0 0 103 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.734 102.4 46.7 -55.9 -26.5 53.0 9.6 31.6 11 11 A G G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 28,-0.1 -2,-0.2 0.650 93.6 98.5 -91.8 -16.0 51.3 6.4 32.6 12 12 A L << + 0 0 8 -3,-1.1 2,-0.3 -4,-0.7 26,-0.2 -0.409 45.6 155.6 -75.0 146.0 48.8 8.1 35.0 13 13 A F B +A 37 0A 12 24,-1.5 24,-2.7 -2,-0.1 2,-0.3 -0.899 10.1 150.1-171.9 143.7 45.3 8.9 34.0 14 14 A H + 0 0 2 -2,-0.3 2,-0.3 22,-0.2 93,-0.1 -0.880 8.1 144.3-171.6 138.7 41.8 9.5 35.2 15 15 A D - 0 0 28 -2,-0.3 20,-0.2 20,-0.2 540,-0.1 -0.878 61.7 -87.9-159.4-179.8 38.7 11.4 34.2 16 16 A Q S S+ 0 0 6 -2,-0.3 5,-0.1 538,-0.1 539,-0.0 0.097 79.1 126.2 -94.8 30.9 35.0 10.6 34.5 17 17 A G S >> S- 0 0 2 1,-0.1 4,-1.6 539,-0.1 3,-1.5 -0.259 79.5 -87.8 -74.7 169.9 34.7 8.8 31.2 18 18 A P T 34 S+ 0 0 53 0, 0.0 556,-0.1 0, 0.0 -1,-0.1 0.782 124.0 54.4 -48.2 -41.7 33.2 5.2 31.1 19 19 A L T 34 S+ 0 0 46 554,-0.3 3,-0.1 1,-0.2 555,-0.1 0.720 119.9 31.3 -70.7 -19.5 36.5 3.3 31.7 20 20 A F T <4 S+ 0 0 3 -3,-1.5 15,-2.3 1,-0.3 2,-0.4 0.565 119.0 41.4-117.6 -10.2 37.3 5.3 34.9 21 21 A D B < -B 34 0A 5 -4,-1.6 -1,-0.3 13,-0.2 13,-0.2 -0.961 51.7-166.3-144.1 120.7 34.0 6.1 36.6 22 22 A N S S+ 0 0 101 11,-1.8 12,-0.1 -2,-0.4 -1,-0.1 0.496 89.0 32.2 -85.3 -3.2 31.0 3.8 36.9 23 23 A A + 0 0 13 10,-0.2 -1,-0.2 1,-0.1 7,-0.0 -0.476 58.4 163.7-154.4 76.1 28.6 6.6 37.9 24 24 A P S S+ 0 0 63 0, 0.0 435,-0.3 0, 0.0 97,-0.3 0.696 87.2 31.7 -67.2 -22.7 29.3 10.0 36.4 25 25 A E S S+ 0 0 37 95,-0.1 2,-0.1 433,-0.1 95,-0.1 -0.546 88.6 174.3-135.3 66.4 25.8 11.3 37.3 26 26 A P - 0 0 4 0, 0.0 97,-3.0 0, 0.0 98,-0.4 -0.317 23.5-135.6 -75.7 156.1 24.9 9.4 40.6 27 27 A T > - 0 0 56 95,-0.3 3,-1.2 96,-0.1 57,-0.3 -0.330 44.7 -82.0 -95.8-174.4 21.9 9.9 42.8 28 28 A S T 3 S+ 0 0 31 1,-0.2 58,-0.1 -2,-0.1 -1,-0.0 0.708 129.4 44.9 -63.2 -22.4 22.0 10.1 46.6 29 29 A T T 3 S+ 0 0 121 54,-0.1 2,-0.6 56,-0.1 -1,-0.2 0.361 90.5 95.3-106.2 4.8 22.0 6.3 46.8 30 30 A Q < - 0 0 92 -3,-1.2 54,-0.3 54,-0.1 2,-0.1 -0.865 63.8-143.8-102.9 122.7 24.6 5.4 44.1 31 31 A S - 0 0 52 -2,-0.6 2,-0.6 52,-0.2 -4,-0.1 -0.387 16.0-127.4 -76.5 159.4 28.2 4.8 45.2 32 32 A V E - C 0 81A 4 49,-2.8 49,-3.3 -2,-0.1 2,-0.6 -0.933 17.5-164.1-116.6 112.7 31.0 6.0 42.9 33 33 A T E - C 0 80A 27 -2,-0.6 -11,-1.8 47,-0.3 2,-0.3 -0.856 13.3-166.2 -97.9 120.3 33.7 3.5 41.9 34 34 A L E -BC 21 79A 0 45,-3.0 45,-2.0 -2,-0.6 2,-0.4 -0.825 9.4-156.1-110.0 144.4 36.8 5.1 40.4 35 35 A K E - C 0 78A 66 -15,-2.3 2,-0.5 -2,-0.3 -20,-0.2 -0.969 3.8-161.1-121.0 133.2 39.7 3.6 38.5 36 36 A L E - C 0 77A 0 41,-2.7 41,-3.0 -2,-0.4 2,-0.3 -0.955 12.8-143.7-113.7 128.6 43.1 5.2 38.2 37 37 A R E +AC 13 76A 7 -24,-2.7 -24,-1.5 -2,-0.5 2,-0.3 -0.692 26.1 162.4 -92.5 145.4 45.4 4.1 35.5 38 38 A T E - C 0 75A 0 37,-2.0 37,-3.1 -2,-0.3 -26,-0.1 -0.920 49.4 -80.6-147.7 166.7 49.2 3.8 36.0 39 39 A F E > - C 0 74A 20 -31,-0.3 3,-1.9 -2,-0.3 4,-0.3 -0.458 68.0 -83.6 -68.3 151.1 51.9 2.0 34.0 40 40 A K T 3 S- 0 0 104 33,-2.6 -1,-0.1 1,-0.3 34,-0.1 -0.378 111.5 -0.9 -60.9 126.3 52.0 -1.7 34.9 41 41 A G T 3 S+ 0 0 28 -2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.635 95.8 124.1 69.7 17.2 54.0 -2.3 38.1 42 42 A D < + 0 0 0 -3,-1.9 -38,-0.4 -41,-0.1 -36,-0.3 0.749 63.3 41.4 -80.5 -25.4 54.9 1.4 38.4 43 43 A I - 0 0 9 -4,-0.3 53,-0.3 -40,-0.1 3,-0.1 -0.704 51.6-152.9-124.7 173.4 53.5 2.0 42.0 44 44 A T S S- 0 0 75 51,-2.7 2,-0.3 1,-0.4 52,-0.2 0.639 81.8 -3.9-112.4 -28.1 53.3 0.6 45.5 45 45 A S E -E 95 0B 44 50,-2.0 50,-3.0 19,-0.0 -1,-0.4 -0.985 52.8-168.6-163.8 155.5 50.0 2.3 46.7 46 46 A A E -E 94 0B 1 17,-0.4 17,-2.8 -2,-0.3 2,-0.3 -0.989 8.9-166.3-147.2 148.5 47.4 4.8 45.7 47 47 A N E -EF 93 62B 17 46,-2.6 46,-2.7 -2,-0.3 2,-0.5 -0.989 19.5-132.4-140.8 148.2 44.6 6.5 47.6 48 48 A I E -EF 92 61B 0 13,-2.7 13,-2.7 -2,-0.3 2,-0.5 -0.866 22.9-167.3 -97.2 128.4 41.5 8.5 46.9 49 49 A K E +EF 91 60B 36 42,-2.9 42,-2.1 -2,-0.5 2,-0.4 -0.976 12.2 177.0-119.1 118.6 41.3 11.7 49.0 50 50 A Y E -EF 90 59B 16 9,-2.3 9,-2.6 -2,-0.5 2,-0.5 -0.964 27.2-138.8-129.9 143.8 37.9 13.4 49.0 51 51 A W E -EF 89 58B 77 38,-2.8 38,-1.8 -2,-0.4 2,-0.6 -0.833 20.4-153.0 -93.8 127.3 36.4 16.5 50.7 52 52 A D E >>> -EF 88 57B 17 5,-2.5 5,-1.1 -2,-0.5 4,-1.1 -0.917 9.8-157.4-106.7 120.1 32.8 15.9 51.8 53 53 A T T 345S+ 0 0 51 34,-2.2 -1,-0.1 -2,-0.6 35,-0.1 0.646 88.5 74.3 -67.7 -13.3 30.7 19.0 52.0 54 54 A A T 345S+ 0 0 72 33,-0.3 -1,-0.2 1,-0.2 34,-0.1 0.869 119.9 8.5 -67.8 -36.4 28.5 17.1 54.5 55 55 A D T <45S- 0 0 84 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.238 96.6-121.4-129.3 14.2 31.1 17.4 57.2 56 56 A N T <5S+ 0 0 111 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.913 75.1 110.7 44.0 55.7 33.6 19.8 55.8 57 57 A A E < -F 52 0B 35 -5,-1.1 -5,-2.5 -7,-0.0 2,-0.3 -0.983 69.7-105.2-153.0 158.8 36.4 17.3 56.1 58 58 A F E -F 51 0B 90 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.654 30.4-161.2 -88.5 145.5 38.7 15.1 54.1 59 59 A H E -F 50 0B 53 -9,-2.6 -9,-2.3 -2,-0.3 2,-0.5 -0.945 8.2-138.4-128.4 149.1 38.2 11.3 53.8 60 60 A W E +F 49 0B 124 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.918 16.9 179.3-118.0 125.8 40.6 8.6 52.8 61 61 A V E -F 48 0B 27 -13,-2.7 -13,-2.7 -2,-0.5 -2,-0.0 -0.896 21.4-143.5-126.4 102.3 39.9 5.6 50.6 62 62 A P E -F 47 0B 82 0, 0.0 -15,-0.2 0, 0.0 18,-0.2 -0.350 20.9-133.2 -62.0 141.1 42.9 3.2 49.9 63 63 A M - 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