==== 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 1UH2 . 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) . 21694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 65.9 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 . 50 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.9 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 . 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 . 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 72 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0 168.2 58.0 1.1 34.5 2 2 A A - 0 0 50 4,-0.3 2,-1.3 40,-0.2 4,-0.3 -0.948 360.0 -68.5-167.8-179.1 59.0 -0.5 37.9 3 3 A N S S+ 0 0 105 -2,-0.3 40,-0.1 1,-0.1 39,-0.1 -0.766 71.9 137.0 -89.5 95.3 59.2 0.2 41.6 4 4 A D S S- 0 0 77 -2,-1.3 -1,-0.1 38,-0.4 93,-0.1 -0.177 81.4 -93.2-133.0 36.8 62.1 2.6 41.4 5 5 A N S S+ 0 0 92 1,-0.1 2,-0.3 94,-0.1 92,-0.1 0.908 98.0 106.1 48.5 45.1 61.1 5.4 43.8 6 6 A N - 0 0 78 36,-0.3 2,-0.6 -4,-0.3 -2,-0.3 -0.846 60.6-150.4-159.1 119.8 59.5 7.2 40.9 7 7 A V - 0 0 4 -2,-0.3 2,-1.0 87,-0.1 3,-0.1 -0.797 23.1-140.5 -88.8 119.5 55.9 7.8 39.8 8 8 A E >> - 0 0 55 -2,-0.6 3,-1.8 1,-0.2 4,-0.6 -0.718 9.2-161.5 -86.9 104.1 55.9 8.2 36.0 9 9 A W G >4 S+ 0 0 110 -2,-1.0 3,-1.2 1,-0.3 -1,-0.2 0.816 84.7 65.9 -50.3 -39.5 53.4 11.0 35.1 10 10 A N G 34 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.715 101.4 48.8 -60.3 -22.6 53.1 9.8 31.5 11 11 A G G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 28,-0.1 -2,-0.2 0.617 94.0 96.7 -92.6 -12.3 51.5 6.6 32.6 12 12 A L << + 0 0 8 -3,-1.2 2,-0.3 -4,-0.6 26,-0.2 -0.468 46.1 154.2 -79.9 146.7 49.0 8.3 34.9 13 13 A F B +A 37 0A 11 24,-1.4 24,-2.7 -2,-0.2 2,-0.3 -0.901 9.5 152.9-172.1 143.7 45.4 9.1 33.9 14 14 A H + 0 0 3 -2,-0.3 2,-0.3 22,-0.2 93,-0.1 -0.903 8.1 143.7-169.2 142.6 41.9 9.7 35.1 15 15 A D - 0 0 27 -2,-0.3 20,-0.2 20,-0.3 540,-0.1 -0.896 61.8 -88.4-163.9 177.3 38.8 11.6 34.1 16 16 A Q S S+ 0 0 7 -2,-0.3 5,-0.1 538,-0.1 539,-0.0 0.089 78.2 128.4 -93.7 31.7 35.2 10.7 34.4 17 17 A G S >> S- 0 0 2 1,-0.1 3,-1.9 539,-0.1 4,-1.4 -0.275 78.9 -89.6 -74.0 166.8 34.8 8.9 31.1 18 18 A P T 34 S+ 0 0 55 0, 0.0 556,-0.1 0, 0.0 3,-0.1 0.785 124.0 56.3 -47.3 -40.3 33.3 5.4 31.0 19 19 A L T 34 S+ 0 0 47 554,-0.3 3,-0.1 1,-0.2 555,-0.1 0.694 119.0 30.7 -69.6 -18.0 36.6 3.5 31.5 20 20 A F T <4 S+ 0 0 2 -3,-1.9 15,-2.1 1,-0.2 2,-0.4 0.531 118.8 42.3-120.8 -7.5 37.3 5.4 34.7 21 21 A D B < -B 34 0A 6 -4,-1.4 -1,-0.2 13,-0.2 13,-0.2 -0.960 50.3-167.7-145.3 120.8 34.0 6.2 36.4 22 22 A N S S+ 0 0 106 11,-1.7 12,-0.1 -2,-0.4 -1,-0.1 0.554 89.1 35.7 -86.3 -6.6 31.0 3.9 36.7 23 23 A A + 0 0 14 10,-0.3 -1,-0.2 1,-0.1 7,-0.0 -0.536 58.6 162.1-147.4 75.5 28.7 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 0.739 86.9 30.0 -66.5 -25.0 29.3 10.1 36.3 25 25 A E S S+ 0 0 37 95,-0.1 2,-0.1 433,-0.1 95,-0.1 -0.590 89.2 177.0-135.2 71.0 25.8 11.4 37.2 26 26 A P - 0 0 3 0, 0.0 97,-3.3 0, 0.0 98,-0.4 -0.340 21.9-136.4 -77.5 155.3 25.0 9.5 40.5 27 27 A T > - 0 0 54 95,-0.3 3,-1.1 96,-0.2 57,-0.4 -0.351 44.1 -84.0 -95.5-175.8 21.9 9.9 42.7 28 28 A S T 3 S+ 0 0 34 1,-0.2 58,-0.1 -2,-0.1 -1,-0.0 0.747 128.8 45.2 -62.0 -25.8 22.0 10.0 46.5 29 29 A T T 3 S+ 0 0 120 54,-0.1 2,-0.5 56,-0.1 -1,-0.2 0.388 91.6 96.5-101.8 2.3 22.0 6.2 46.7 30 30 A Q < - 0 0 94 -3,-1.1 54,-0.3 54,-0.1 2,-0.1 -0.837 63.3-141.8-102.3 126.1 24.6 5.4 44.1 31 31 A S - 0 0 57 -2,-0.5 2,-0.6 52,-0.2 -4,-0.1 -0.425 14.4-130.7 -77.4 155.7 28.3 4.8 44.9 32 32 A V E - C 0 81A 4 49,-2.6 49,-2.8 -2,-0.1 2,-0.6 -0.918 16.3-165.4-115.5 111.7 31.1 6.0 42.7 33 33 A T E - C 0 80A 36 -2,-0.6 -11,-1.7 47,-0.2 2,-0.3 -0.851 12.2-166.8 -97.5 120.4 33.8 3.6 41.7 34 34 A L E -BC 21 79A 0 45,-2.8 45,-1.9 -2,-0.6 2,-0.4 -0.793 8.7-155.9-107.7 147.8 36.9 5.3 40.2 35 35 A K E - C 0 78A 66 -15,-2.1 2,-0.5 -2,-0.3 -20,-0.3 -0.989 4.2-160.1-125.0 131.9 39.8 3.8 38.3 36 36 A L E - C 0 77A 0 41,-3.1 41,-3.0 -2,-0.4 2,-0.3 -0.951 12.7-142.7-112.4 126.9 43.2 5.4 38.1 37 37 A R E +AC 13 76A 5 -24,-2.7 -24,-1.4 -2,-0.5 2,-0.3 -0.648 26.6 161.7 -90.4 145.6 45.6 4.3 35.4 38 38 A T E - C 0 75A 0 37,-2.0 37,-3.0 -2,-0.3 -26,-0.1 -0.923 49.5 -80.5-148.3 166.5 49.4 4.0 35.8 39 39 A F E > - C 0 74A 24 -31,-0.3 3,-1.8 -2,-0.3 4,-0.3 -0.443 68.5 -83.6 -67.5 152.6 52.1 2.3 33.9 40 40 A K T 3 S- 0 0 102 33,-2.4 -1,-0.1 1,-0.3 28,-0.0 -0.382 111.4 -1.3 -61.4 130.2 52.2 -1.4 34.8 41 41 A G T 3 S+ 0 0 29 -2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.647 96.4 124.7 64.2 18.3 54.1 -2.1 38.0 42 42 A D < + 0 0 0 -3,-1.8 -38,-0.4 -41,-0.1 -36,-0.3 0.800 62.5 39.5 -79.4 -29.9 55.0 1.6 38.3 43 43 A I - 0 0 10 -4,-0.3 53,-0.3 -40,-0.1 3,-0.1 -0.653 52.6-150.8-121.2 174.2 53.7 2.3 41.9 44 44 A T S S- 0 0 72 51,-2.8 2,-0.3 1,-0.4 52,-0.2 0.650 81.4 -3.7-111.6 -30.3 53.4 0.9 45.4 45 45 A S E -E 95 0B 45 50,-2.1 50,-3.1 19,-0.0 -1,-0.4 -0.988 52.6-167.2-162.4 155.8 50.2 2.6 46.6 46 46 A A E -E 94 0B 1 17,-0.4 17,-2.8 -2,-0.3 2,-0.4 -0.987 8.5-164.6-145.4 150.1 47.5 5.1 45.6 47 47 A N E -EF 93 62B 16 46,-2.7 46,-2.9 -2,-0.3 2,-0.5 -0.998 17.7-135.7-141.6 142.5 44.8 6.8 47.6 48 48 A I E -EF 92 61B 0 13,-2.7 13,-2.6 -2,-0.4 2,-0.5 -0.834 22.3-167.0 -94.4 128.8 41.6 8.8 46.7 49 49 A K E +EF 91 60B 32 42,-3.0 42,-2.0 -2,-0.5 2,-0.4 -0.975 11.4 178.4-118.5 120.7 41.3 11.9 48.9 50 50 A Y E -EF 90 59B 17 9,-2.4 9,-2.3 -2,-0.5 2,-0.4 -0.971 26.4-139.0-130.9 142.3 37.9 13.6 48.8 51 51 A W E -EF 89 58B 77 38,-2.9 38,-1.9 -2,-0.4 2,-0.6 -0.793 20.8-153.2 -90.6 130.8 36.4 16.7 50.5 52 52 A D E >>> -EF 88 57B 15 5,-2.4 4,-1.3 -2,-0.4 3,-1.1 -0.940 10.9-158.6-110.9 119.4 32.8 16.0 51.7 53 53 A T T 345S+ 0 0 52 34,-2.1 -1,-0.1 -2,-0.6 35,-0.1 0.646 88.3 74.6 -68.0 -13.3 30.6 19.1 51.9 54 54 A A T 345S+ 0 0 72 33,-0.3 -1,-0.2 1,-0.2 34,-0.1 0.838 120.7 7.5 -68.7 -31.5 28.4 17.1 54.3 55 55 A D T <45S- 0 0 83 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.289 96.8-121.1-132.5 10.1 31.0 17.5 57.1 56 56 A N T <5S+ 0 0 110 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.933 75.2 104.9 47.4 58.2 33.6 20.0 55.6 57 57 A A E - 0 0 6 5,-1.2 3,-2.1 -2,-0.3 -1,-0.1 -0.450 40.4 -96.2 -84.4 166.4 44.8 -3.0 30.0 70 70 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 531,-0.0 0.761 124.7 53.6 -53.4 -29.4 44.7 -5.3 26.9 71 71 A T T 3 S- 0 0 46 526,-0.1 532,-0.0 531,-0.0 530,-0.0 0.536 105.8-127.5 -85.2 -6.0 48.1 -4.2 25.7 72 72 A G S < S+ 0 0 38 -3,-2.1 -32,-0.1 2,-0.1 3,-0.0 0.725 81.8 110.7 67.5 20.6 49.7 -5.1 29.1 73 73 A T S S+ 0 0 50 524,-0.1 -33,-2.4 -34,-0.1 2,-0.3 0.733 70.4 44.0 -96.2 -27.1 51.2 -1.6 29.3 74 74 A F E -C 39 0A 0 -35,-0.3 -5,-1.2 -5,-0.1 2,-0.3 -0.766 61.5-141.8-122.9 167.0 49.1 -0.2 32.1 75 75 A D E -CD 38 68A 10 -37,-3.0 -37,-2.0 -2,-0.3 2,-0.5 -0.879 13.6-149.2-117.5 150.5 47.6 -0.9 35.5 76 76 A Y E -CD 37 67A 25 -9,-2.3 -10,-2.9 -2,-0.3 -9,-1.3 -0.983 12.9-167.8-124.6 116.0 44.2 0.2 36.7 77 77 A W E -CD 36 65A 32 -41,-3.0 -41,-3.1 -2,-0.5 2,-0.3 -0.774 10.4-159.5-100.4 149.7 43.8 0.9 40.4 78 78 A K E +CD 35 64A 81 -14,-2.8 -14,-2.3 -2,-0.3 2,-0.3 -0.955 20.1 164.1-136.7 154.5 40.4 1.3 41.9 79 79 A G E -C 34 0A 8 -45,-1.9 -45,-2.8 -2,-0.3 2,-0.4 -0.972 25.5-131.0-157.6 154.8 38.6 2.8 44.9 80 80 A T E -C 33 0A 58 -2,-0.3 -47,-0.2 -47,-0.2 -32,-0.1 -0.953 2.5-151.3-122.2 134.5 35.0 3.7 45.8 81 81 A I E -C 32 0A 0 -49,-2.8 -49,-2.6 -2,-0.4 -2,-0.0 -0.889 37.9-112.0 -97.6 125.6 33.6 6.9 47.2 82 82 A P - 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0 0 78 -2,-0.3 -2,-0.1 1,-0.1 -19,-0.1 -0.477 42.8-133.9 -68.1 124.5 49.3 18.6 46.4 113 113 A P - 0 0 25 0, 0.0 3,-0.1 0, 0.0 -10,-0.1 -0.314 16.0-164.0 -75.4 161.5 46.7 20.8 44.5 114 114 A N S S+ 0 0 147 1,-0.1 2,-0.3 -2,-0.0 3,-0.1 0.320 72.6 41.5-124.5 1.5 44.0 22.8 46.3 115 115 A A S S+ 0 0 51 1,-0.1 -9,-0.3 0, 0.0 -10,-0.1 -0.917 91.2 44.5-143.0 167.4 41.8 23.6 43.3 116 116 A D + 0 0 45 -2,-0.3 -11,-1.7 1,-0.1 -10,-0.6 0.818 68.3 162.0 65.5 33.6 40.5 21.8 40.1 117 117 A D - 0 0 18 -13,-0.2 -26,-0.2 -12,-0.2 2,-0.2 -0.333 47.0 -92.9 -74.4 165.3 39.5 18.6 41.9 118 118 A F E -G 90 0B 19 -28,-2.7 -28,-1.9 1,-0.1 2,-0.3 -0.511 44.5-121.1 -79.1 154.8 37.1 16.3 40.2 119 119 A Y E -G 89 0B 31 -30,-0.2 2,-0.4 337,-0.2 339,-0.2 -0.766 26.0-178.4-105.4 142.5 33.4 16.7 41.0 120 120 A I E +G 88 0B 8 -32,-2.1 -32,-2.6 -2,-0.3 -95,-0.1 -0.952 12.7 172.8-132.6 107.9 30.7 14.4 42.4 121 121 A I > - 0 0 15 -2,-0.4 3,-1.8 -97,-0.3 -34,-0.2 -0.841 26.0-140.3-121.2 91.4 27.4 16.2 42.5 122 122 A P T 3 S+ 0 0 14 0, 0.0 -95,-0.3 0, 0.0 -94,-0.1 -0.208 81.9 8.3 -54.7 137.5 24.6 13.7 43.5 123 123 A N T 3 S+ 0 0 95 -97,-3.3 2,-0.6 1,-0.2 -96,-0.2 0.417 91.8 131.9 72.7 1.1 21.3 14.1 41.6 124 124 A F < + 0 0 5 -3,-1.8 2,-0.4 -98,-0.4 -1,-0.2 -0.770 30.5 171.9 -88.4 118.4 22.7 16.6 39.2 125 125 A K - 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