==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-99 1SMA . COMPND 2 MOLECULE: MALTOGENIC AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS SP. IM6501; . AUTHOR J.S.KIM,S.S.CHA,B.H.OH . 1176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 777 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 108 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 4 2 2 2 0 0 0 4 0 2 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 8 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 . 20 6 10 4 4 0 0 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 2 2 0 2 2 0 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 M 0 0 37 0, 0.0 5,-0.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 51.2 65.8 20.2 20.5 2 2 A R >> - 0 0 77 1,-0.2 4,-0.7 2,-0.1 3,-0.7 0.475 360.0-164.4 -3.2 104.4 66.5 23.9 21.1 3 3 A K T 34 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 653,-0.1 0.633 79.6 74.9 -79.8 -15.1 63.6 25.3 23.1 4 4 A E T 34 S+ 0 0 26 1,-0.2 -1,-0.2 652,-0.1 -2,-0.1 0.788 98.2 48.6 -66.7 -25.1 64.4 28.9 22.4 5 5 A A T <4 S+ 0 0 0 -3,-0.7 -1,-0.2 -4,-0.1 -2,-0.2 0.834 92.7 87.4 -82.7 -37.2 63.1 28.4 18.9 6 6 A I < + 0 0 5 -4,-0.7 2,-0.3 -5,-0.2 23,-0.2 -0.352 56.2 152.0 -64.9 144.2 59.8 26.7 19.8 7 7 A H B +A 28 0A 54 21,-1.7 21,-2.0 -2,-0.0 2,-0.3 -0.910 17.1 165.9-174.5 146.8 56.9 29.0 20.5 8 8 A H - 0 0 4 -2,-0.3 2,-0.3 19,-0.2 19,-0.1 -0.969 8.6-169.1-157.3 161.7 53.1 29.5 20.5 9 9 A R - 0 0 34 -2,-0.3 2,-0.7 17,-0.3 17,-0.2 -0.960 32.6-123.0-156.7 140.7 50.4 31.8 21.8 10 10 A S S S+ 0 0 13 -2,-0.3 2,-0.3 4,-0.1 15,-0.0 -0.000 87.4 76.2 -77.3 33.7 46.7 31.5 21.9 11 11 A T S > S- 0 0 14 -2,-0.7 3,-1.0 5,-0.0 4,-0.5 -0.967 86.8 -12.1-143.8 160.3 46.3 34.8 19.9 12 12 A D G > S- 0 0 21 -2,-0.3 3,-0.8 1,-0.2 396,-0.1 -0.190 119.1 -9.1 57.0-137.6 46.6 36.3 16.4 13 13 A N G 3 S+ 0 0 7 394,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.734 130.0 61.7 -65.8 -27.6 48.3 34.2 13.6 14 14 A F G < S+ 0 0 21 -3,-1.0 12,-2.3 1,-0.3 2,-0.3 0.764 123.5 10.0 -72.8 -23.2 49.6 31.5 15.9 15 15 A A E < S+B 25 0B 3 -3,-0.8 -1,-0.3 -4,-0.5 2,-0.3 -0.876 81.8 125.4-159.5 121.8 46.0 30.6 16.9 16 16 A Y E -B 24 0B 20 8,-1.6 8,-3.0 -2,-0.3 2,-0.5 -0.945 54.7 -90.0-162.4 175.7 42.7 31.8 15.4 17 17 A A E -B 23 0B 14 -2,-0.3 109,-0.6 6,-0.2 6,-0.3 -0.879 23.0-171.2-104.9 130.0 39.4 30.6 13.9 18 18 A Y S S- 0 0 64 4,-1.8 2,-0.2 -2,-0.5 -1,-0.2 0.944 75.3 -4.7 -79.6 -56.3 39.2 30.0 10.1 19 19 A D S S- 0 0 53 3,-0.8 3,-0.5 106,-0.0 -1,-0.2 -0.690 92.1 -80.8-127.3-178.1 35.4 29.4 9.9 20 20 A S S S+ 0 0 63 1,-0.2 102,-0.1 -2,-0.2 3,-0.1 0.361 129.9 30.8 -70.3 9.8 32.7 29.1 12.5 21 21 A E S S+ 0 0 109 1,-0.2 2,-0.4 100,-0.1 -1,-0.2 0.469 108.2 69.4-142.2 -9.4 33.7 25.5 13.1 22 22 A T - 0 0 6 -3,-0.5 -4,-1.8 54,-0.2 -3,-0.8 -0.926 54.1-159.0-123.4 143.6 37.5 25.2 12.5 23 23 A L E -BC 17 75B 0 52,-3.0 52,-1.8 -2,-0.4 2,-0.5 -0.859 8.9-147.3-116.0 151.2 40.6 26.5 14.3 24 24 A H E -BC 16 74B 4 -8,-3.0 -8,-1.6 -2,-0.3 2,-0.6 -0.973 16.4-177.9-119.4 115.6 44.1 27.0 13.0 25 25 A L E -BC 15 73B 0 48,-2.1 48,-0.5 -2,-0.5 2,-0.4 -0.924 6.4-169.0-120.5 108.4 46.9 26.4 15.5 26 26 A R E - C 0 72B 11 -12,-2.3 2,-0.5 -2,-0.6 -17,-0.3 -0.812 5.9-158.9-103.0 134.6 50.4 27.0 14.2 27 27 A L E - C 0 71B 0 44,-0.5 44,-2.1 -2,-0.4 2,-0.5 -0.929 5.9-151.6-113.8 127.4 53.6 26.0 16.1 28 28 A Q B +A 7 0A 19 -21,-2.0 -21,-1.7 -2,-0.5 2,-0.3 -0.835 24.6 163.2 -98.8 131.4 57.0 27.6 15.3 29 29 A T - 0 0 0 -2,-0.5 40,-1.1 -23,-0.2 41,-0.2 -0.836 42.3 -70.3-136.5 174.5 60.2 25.6 15.9 30 30 A K B >> -E 68 0C 44 -28,-0.4 3,-1.2 -2,-0.3 4,-0.5 -0.190 64.3 -82.0 -65.1 161.9 63.8 25.7 14.9 31 31 A K T 34 S- 0 0 34 36,-1.1 3,-0.2 1,-0.3 -2,-0.1 0.807 110.4 -17.4 -25.2 -94.0 65.0 25.1 11.3 32 32 A N T 34 S+ 0 0 133 1,-0.1 -1,-0.3 37,-0.0 3,-0.1 -0.405 102.3 118.6-119.5 53.2 65.1 21.3 11.1 33 33 A D T <4 + 0 0 33 -3,-1.2 2,-0.5 1,-0.2 -1,-0.1 0.827 69.0 51.2 -84.8 -37.9 65.1 20.7 14.8 34 34 A V < - 0 0 4 -4,-0.5 56,-0.2 -3,-0.2 -1,-0.2 -0.909 53.4-171.6-112.4 123.6 61.8 18.7 14.9 35 35 A D S S+ 0 0 98 -2,-0.5 2,-0.3 54,-0.5 55,-0.2 0.643 80.6 3.4 -80.5 -16.2 61.0 15.8 12.7 36 36 A H - 0 0 105 53,-0.7 2,-0.1 24,-0.1 24,-0.1 -0.866 54.0-172.6-152.4-175.6 57.5 15.8 14.0 37 37 A V - 0 0 1 -2,-0.3 22,-1.3 51,-0.2 51,-0.3 -0.380 13.1-160.3 169.2 105.3 55.0 17.6 16.2 38 38 A E E -FG 58 87D 26 49,-2.4 49,-2.8 20,-0.2 2,-0.6 -0.559 21.5-120.0 -94.6 160.5 51.5 16.4 17.1 39 39 A L E -FG 57 86D 0 18,-4.1 18,-2.4 47,-0.2 2,-0.6 -0.909 21.5-156.9-104.8 114.5 48.7 18.5 18.4 40 40 A L E +FG 56 85D 5 45,-2.8 45,-2.5 -2,-0.6 2,-0.3 -0.814 31.3 153.8 -91.2 123.3 47.4 17.4 21.8 41 41 A F E +FG 55 84D 20 14,-2.5 14,-1.8 -2,-0.6 2,-0.2 -0.935 16.9 145.8-148.1 171.0 43.8 18.5 22.3 42 42 A G E - G 0 83D 4 41,-1.1 41,-2.8 -2,-0.3 12,-0.1 -0.886 53.3 -70.4 169.3 161.8 40.5 18.0 24.0 43 43 A D > - 0 0 6 -2,-0.2 3,-2.3 39,-0.2 39,-0.2 -0.499 40.7-127.8 -70.3 138.2 37.5 19.9 25.4 44 44 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 67,-0.1 0.483 111.5 50.0 -66.4 2.0 38.3 21.7 28.7 45 45 A Y T 3 S+ 0 0 54 36,-0.1 2,-0.8 834,-0.1 -2,-0.1 0.189 82.1 107.6-123.4 13.5 35.3 19.9 30.2 46 46 A E < + 0 0 48 -3,-2.3 7,-2.5 7,-0.2 2,-0.3 -0.835 45.0 150.7 -98.9 103.6 36.2 16.4 29.0 47 47 A W E -J 52 0E 94 -2,-0.8 2,-0.2 5,-0.3 5,-0.2 -0.791 23.6-177.5-127.8 170.0 37.3 14.3 32.0 48 48 A H E > S-J 51 0E 111 3,-1.7 3,-0.7 -2,-0.3 -2,-0.0 -0.805 74.1 -2.6-170.5 125.5 37.3 10.7 33.2 49 49 A D T 3 S- 0 0 147 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 0.904 129.9 -56.9 55.4 43.0 38.4 9.2 36.4 50 50 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.833 117.4 113.5 58.3 33.9 39.6 12.6 37.6 51 51 A A E < S-J 48 0E 29 -3,-0.7 -3,-1.7 59,-0.0 2,-0.5 -0.999 73.3-115.0-137.9 131.8 41.8 12.9 34.5 52 52 A W E -J 47 0E 3 56,-3.3 -5,-0.3 -2,-0.4 2,-0.2 -0.539 34.9-136.3 -68.9 119.4 41.4 15.4 31.6 53 53 A Q + 0 0 87 -7,-2.5 2,-0.3 -2,-0.5 -7,-0.2 -0.469 36.4 148.7 -78.9 147.6 40.6 13.4 28.5 54 54 A F - 0 0 62 -2,-0.2 2,-0.2 -12,-0.1 -12,-0.2 -0.948 28.0-151.6-172.1 153.1 42.3 14.3 25.2 55 55 A Q E -F 41 0D 114 -14,-1.8 -14,-2.5 -2,-0.3 2,-0.4 -0.731 21.7-123.2-123.2 174.0 43.5 12.7 21.9 56 56 A T E -F 40 0D 74 -2,-0.2 -16,-0.2 -16,-0.2 30,-0.0 -0.981 17.2-168.4-132.4 133.3 46.3 13.8 19.6 57 57 A M E -F 39 0D 44 -18,-2.4 -18,-4.1 -2,-0.4 2,-0.2 -0.807 29.8-106.7-112.5 152.9 46.4 14.6 15.9 58 58 A P E -F 38 0D 103 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.566 26.8-149.1 -81.7 142.8 49.5 15.1 13.6 59 59 A M - 0 0 14 -22,-1.3 2,-0.3 -2,-0.2 14,-0.2 -0.913 9.7-143.4-112.0 137.0 50.6 18.5 12.4 60 60 A R E -D 72 0B 131 12,-1.0 12,-1.4 -2,-0.4 2,-0.2 -0.731 19.7-111.5-102.8 148.9 52.3 19.1 9.1 61 61 A K E -D 71 0B 86 -2,-0.3 10,-0.2 10,-0.2 9,-0.1 -0.554 30.1-177.4 -73.4 138.3 55.0 21.6 8.2 62 62 A T - 0 0 31 8,-1.9 2,-0.3 7,-0.4 9,-0.1 0.170 56.9 -45.5-125.3 18.0 53.7 24.4 6.0 63 63 A G - 0 0 15 7,-0.5 -1,-0.2 6,-0.3 2,-0.1 -0.990 48.5-139.2 153.1-157.9 56.8 26.5 5.3 64 64 A S - 0 0 37 -2,-0.3 5,-0.2 334,-0.2 338,-0.2 -0.361 7.1-143.3 159.4 118.3 59.7 28.0 7.1 65 65 A D - 0 0 10 337,-0.2 335,-0.1 -2,-0.1 334,-0.1 0.278 62.8 -61.8 -71.1-149.7 61.6 31.3 6.8 66 66 A G S S+ 0 0 56 1,-0.1 -35,-0.1 330,-0.1 -1,-0.0 0.853 131.8 13.0 -69.7 -33.2 65.3 31.4 7.3 67 67 A L S S+ 0 0 47 525,-0.1 -36,-1.1 -36,-0.1 -1,-0.1 0.777 116.8 58.1-113.2 -36.1 65.3 30.1 10.8 68 68 A F B -E 30 0C 17 -38,-0.2 -38,-0.2 1,-0.1 -40,-0.1 -0.276 52.6-154.6 -95.9-179.9 61.9 28.7 11.8 69 69 A D - 0 0 4 -40,-1.1 -7,-0.4 -5,-0.2 -6,-0.3 0.727 19.5-154.1-120.2 -45.2 59.6 26.0 10.5 70 70 A Y - 0 0 13 -41,-0.2 -8,-1.9 -9,-0.1 -7,-0.5 0.779 7.9-159.2 65.8 116.4 55.9 26.7 11.4 71 71 A W E -CD 27 61B 9 -44,-2.1 -44,-0.5 -10,-0.2 2,-0.3 -0.680 7.2-141.8-116.0 173.0 53.6 23.7 11.6 72 72 A L E -CD 26 60B 11 -12,-1.4 -12,-1.0 -2,-0.2 2,-0.4 -0.997 11.6-165.0-143.8 148.0 49.8 23.8 11.4 73 73 A A E -C 25 0B 1 -48,-0.5 -48,-2.1 -2,-0.3 2,-0.8 -0.958 4.6-163.4-136.1 115.7 46.8 22.1 13.0 74 74 A E E +C 24 0B 101 -2,-0.4 2,-0.4 -50,-0.2 -50,-0.2 -0.870 26.2 164.3 -99.2 108.5 43.3 22.2 11.5 75 75 A V E -C 23 0B 4 -52,-1.8 -52,-3.0 -2,-0.8 -2,-0.1 -0.984 32.7-156.8-132.2 138.4 40.9 21.2 14.3 76 76 A K - 0 0 110 -2,-0.4 -54,-0.2 -54,-0.2 -2,-0.0 -0.874 25.1-149.2-110.1 94.5 37.2 21.5 14.7 77 77 A P > - 0 0 9 0, 0.0 3,-1.5 0, 0.0 2,-0.1 -0.439 16.5-119.3 -68.7 133.4 36.6 21.3 18.4 78 78 A P G > S+ 0 0 70 0, 0.0 3,-1.0 0, 0.0 -36,-0.0 -0.455 100.3 14.7 -69.3 144.7 33.3 19.8 19.4 79 79 A Y G 3 S- 0 0 70 1,-0.2 3,-0.1 -2,-0.1 41,-0.1 0.495 120.2 -93.7 68.8 1.0 31.1 22.2 21.4 80 80 A R G < S+ 0 0 80 -3,-1.5 40,-2.2 1,-0.2 2,-0.4 0.506 97.3 103.0 71.6 6.8 33.4 24.9 20.1 81 81 A R < + 0 0 6 -3,-1.0 2,-0.3 38,-0.2 -1,-0.2 -0.955 43.0 169.6-121.6 143.8 35.8 25.0 23.2 82 82 A L E - H 0 117D 0 35,-2.0 35,-2.9 -2,-0.4 2,-0.4 -0.989 24.7-157.5-157.6 144.0 39.3 23.4 23.3 83 83 A R E -GH 42 116D 16 -41,-2.8 -41,-1.1 -2,-0.3 2,-0.3 -0.954 30.1-179.2-117.4 137.0 42.4 23.2 25.4 84 84 A Y E +GH 41 115D 0 31,-2.1 31,-2.2 -2,-0.4 15,-0.4 -0.944 23.6 175.4-144.8 163.2 45.7 22.2 23.7 85 85 A G E -G 40 0D 0 -45,-2.5 -45,-2.8 -2,-0.3 2,-0.4 -0.913 30.5-113.8-150.5 169.8 49.4 21.5 23.8 86 86 A F E -GI 39 97D 0 11,-2.5 11,-1.0 -2,-0.3 2,-0.6 -0.927 9.9-157.6-120.7 142.1 52.0 20.3 21.4 87 87 A V E -G 38 0D 5 -49,-2.8 -49,-2.4 -2,-0.4 2,-0.6 -0.787 18.3-178.1-115.3 86.7 54.0 17.0 21.2 88 88 A L - 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