==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-96 1VJS . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR H.K.SONG,K.Y.HWANG,C.CHANG,S.W.SUH . 469 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 40 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 1 1 1 0 0 2 0 1 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 2 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 4 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 1 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 3 A L 0 0 167 0, 0.0 2,-0.3 0, 0.0 379,-0.1 0.000 360.0 360.0 360.0 -33.0 9.6 23.5 16.4 2 4 A N - 0 0 28 378,-0.3 2,-0.3 377,-0.2 344,-0.0 -0.598 360.0-128.7 -73.3 138.0 13.3 24.0 17.4 3 5 A G - 0 0 26 -2,-0.3 2,-0.4 32,-0.1 32,-0.1 -0.735 24.9-170.9 -90.7 144.3 15.4 21.1 16.2 4 6 A T - 0 0 4 -2,-0.3 32,-2.2 30,-0.2 33,-1.8 -0.984 7.0-154.0-141.2 126.8 17.6 19.2 18.6 5 7 A L E -ab 37 348A 1 342,-2.7 344,-2.5 -2,-0.4 2,-0.4 -0.596 5.2-162.2 -94.8 152.7 20.3 16.7 17.8 6 8 A M E -ab 38 349A 0 31,-1.1 33,-2.7 342,-0.2 2,-0.9 -0.962 17.8-142.6-140.8 121.3 21.5 13.9 20.1 7 9 A Q E -ab 39 350A 0 342,-2.1 344,-1.7 -2,-0.4 2,-1.0 -0.749 24.2-156.1 -74.9 109.1 24.7 11.9 19.7 8 10 A Y + 0 0 5 31,-2.4 2,-0.3 -2,-0.9 -1,-0.1 -0.370 58.6 55.2 -92.7 56.9 23.3 8.6 20.9 9 11 A F - 0 0 0 -2,-1.0 343,-0.5 31,-0.1 342,-0.4 -0.951 57.0-151.7-172.3 161.4 26.5 6.8 22.1 10 12 A E > - 0 0 0 -2,-0.3 3,-1.1 341,-0.2 305,-0.1 -0.938 32.1-114.7-137.0 152.9 29.4 7.2 24.5 11 13 A W T 3 S+ 0 0 65 -2,-0.3 -1,-0.1 1,-0.2 304,-0.0 0.868 109.3 46.3 -60.2 -42.1 32.9 5.6 24.0 12 14 A Y T 3 S+ 0 0 76 -3,-0.0 -1,-0.2 2,-0.0 3,-0.1 0.066 75.4 137.2 -92.9 22.7 32.7 3.3 27.0 13 15 A M < - 0 0 7 -3,-1.1 2,-0.0 1,-0.1 344,-0.0 -0.342 64.8 -87.9 -66.6 149.5 29.3 1.8 26.7 14 16 A P - 0 0 53 0, 0.0 2,-1.7 0, 0.0 4,-0.3 -0.326 26.9-127.8 -61.9 139.6 29.1 -2.0 27.4 15 17 A N S S+ 0 0 61 1,-0.2 60,-0.1 2,-0.1 35,-0.0 -0.595 70.2 120.3 -84.4 74.6 29.7 -4.5 24.6 16 18 A D S S- 0 0 65 -2,-1.7 -1,-0.2 58,-0.3 59,-0.1 0.305 76.8-120.2-121.2 5.5 26.5 -6.4 25.2 17 19 A G S S+ 0 0 3 57,-1.7 60,-0.2 -3,-0.3 58,-0.2 0.736 85.6 106.5 61.3 26.6 24.7 -6.0 21.9 18 20 A Q > + 0 0 75 -4,-0.3 4,-2.2 56,-0.3 3,-0.4 0.379 42.4 98.9-111.7 -3.5 21.7 -4.2 23.4 19 21 A H H > S+ 0 0 3 55,-0.3 4,-2.6 1,-0.2 5,-0.2 0.879 81.3 51.4 -53.4 -47.0 22.3 -0.7 22.3 20 22 A W H > S+ 0 0 0 55,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.854 111.9 49.7 -60.7 -31.5 19.9 -0.7 19.3 21 23 A K H > S+ 0 0 62 -3,-0.4 4,-2.9 54,-0.4 -2,-0.2 0.898 109.1 50.9 -72.1 -42.4 17.2 -2.0 21.7 22 24 A R H X S+ 0 0 62 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.926 109.9 50.1 -60.3 -47.2 17.9 0.7 24.2 23 25 A L H >< S+ 0 0 1 -4,-2.6 3,-0.5 2,-0.2 4,-0.4 0.945 111.6 48.7 -56.0 -47.0 17.7 3.3 21.5 24 26 A Q H >< S+ 0 0 69 -4,-2.0 3,-1.1 1,-0.3 4,-0.3 0.913 113.0 47.0 -59.8 -43.2 14.3 1.8 20.4 25 27 A N H 3< S+ 0 0 129 -4,-2.9 3,-0.3 1,-0.2 4,-0.3 0.703 108.6 57.5 -71.9 -19.7 13.1 1.8 24.0 26 28 A D T S+ 0 0 4 -3,-1.1 4,-2.5 -4,-0.4 5,-0.2 0.895 80.7 49.7 -60.8 -42.4 12.2 6.8 21.6 28 30 A A H > S+ 0 0 32 -3,-0.3 4,-2.9 -4,-0.3 -1,-0.2 0.932 112.5 47.9 -61.1 -48.2 9.3 8.1 23.7 29 31 A Y H > S+ 0 0 35 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.930 110.6 51.3 -58.5 -47.9 11.6 9.9 26.1 30 32 A L H <>S+ 0 0 1 -4,-2.3 5,-2.5 1,-0.2 -2,-0.2 0.931 113.6 44.5 -55.7 -47.9 13.6 11.5 23.3 31 33 A A H ><5S+ 0 0 33 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.881 108.3 58.1 -64.7 -41.5 10.4 12.8 21.7 32 34 A E H 3<5S+ 0 0 119 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.926 109.2 46.2 -53.3 -46.5 9.1 14.0 25.0 33 35 A H T 3<5S- 0 0 36 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.039 121.8-100.8 -90.4 25.9 12.1 16.1 25.5 34 36 A G T < 5 + 0 0 12 -3,-1.7 2,-0.7 1,-0.2 -30,-0.2 0.681 63.3 156.8 67.7 20.4 12.2 17.7 22.0 35 37 A I < + 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 -30,-0.2 -0.729 12.2 175.6 -79.1 120.3 15.0 15.5 20.4 36 38 A T + 0 0 51 -32,-2.2 58,-2.8 -2,-0.7 2,-0.3 0.647 61.2 24.6-102.0 -11.1 14.3 15.8 16.7 37 39 A A E -ac 5 94A 1 -33,-1.8 -31,-1.1 56,-0.3 2,-0.4 -0.995 59.8-154.3-154.8 148.8 17.4 13.8 15.4 38 40 A V E -ac 6 95A 0 56,-2.3 58,-2.7 -2,-0.3 2,-0.7 -0.993 7.9-151.6-129.5 126.6 19.7 11.1 16.6 39 41 A W E -ac 7 96A 2 -33,-2.7 -31,-2.4 -2,-0.4 58,-0.2 -0.912 23.5-158.6 -96.6 110.5 23.3 10.5 15.4 40 42 A I - 0 0 0 56,-1.9 58,-0.3 -2,-0.7 3,-0.1 -0.584 20.8-102.6 -88.9 154.0 24.0 6.8 15.9 41 43 A P - 0 0 0 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.215 63.2 -60.8 -68.1 167.1 27.5 5.2 16.1 42 44 A P - 0 0 1 0, 0.0 57,-0.1 0, 0.0 4,-0.1 -0.274 49.5-162.4 -50.9 124.2 29.0 3.4 13.1 43 45 A A + 0 0 0 55,-0.3 2,-0.2 -3,-0.1 30,-0.1 0.427 56.8 91.1 -91.9 -2.7 26.6 0.5 12.4 44 46 A Y S S- 0 0 2 9,-0.2 18,-0.3 18,-0.1 12,-0.2 -0.628 89.2 -75.4 -96.6 160.6 28.9 -1.6 10.3 45 47 A K B -I 58 0B 1 16,-2.7 12,-2.5 13,-0.8 13,-1.9 -0.167 49.0-168.1 -55.6 126.6 31.4 -4.3 11.2 46 48 A G - 0 0 4 2,-0.4 -1,-0.1 10,-0.2 3,-0.1 -0.143 46.2 -74.8 -99.6-163.6 34.6 -3.2 12.8 47 49 A T S S+ 0 0 37 1,-0.1 2,-0.3 -2,-0.1 -2,-0.1 0.692 114.9 3.2 -70.3 -18.9 37.9 -5.0 13.5 48 50 A S S > S- 0 0 52 1,-0.0 3,-1.6 21,-0.0 -2,-0.4 -0.960 83.3 -97.2-155.7 168.0 36.2 -6.9 16.4 49 51 A Q T 3 S+ 0 0 61 19,-0.5 20,-0.1 -2,-0.3 -2,-0.0 0.814 123.7 53.6 -60.3 -30.8 32.8 -7.2 18.1 50 52 A A T 3 S+ 0 0 51 23,-0.1 -1,-0.3 24,-0.1 23,-0.1 0.509 77.5 127.3 -83.5 -7.2 33.9 -4.7 20.7 51 53 A D < - 0 0 25 -3,-1.6 23,-0.4 1,-0.2 -5,-0.1 -0.251 62.4-138.6 -52.7 131.7 35.0 -2.0 18.1 52 54 A V - 0 0 12 22,-0.1 -1,-0.2 21,-0.1 -3,-0.0 0.691 57.5 -95.7 -65.1 -17.9 33.3 1.3 18.9 53 55 A G S S+ 0 0 3 -12,-0.1 3,-0.3 -10,-0.1 -9,-0.2 0.312 105.4 98.6 122.0 -8.9 32.8 1.4 15.1 54 56 A Y + 0 0 26 1,-0.2 -3,-0.0 2,-0.1 -8,-0.0 0.518 66.6 75.9 -88.8 -0.7 35.8 3.4 13.9 55 57 A G S S- 0 0 1 -7,-0.1 50,-0.4 49,-0.0 -1,-0.2 0.886 81.5-165.0 -71.5 -37.8 37.9 0.4 12.9 56 58 A A + 0 0 1 -3,-0.3 49,-2.5 -12,-0.2 -10,-0.2 0.969 24.4 160.9 50.7 82.3 35.7 0.1 9.8 57 59 A Y + 0 0 2 -12,-2.5 2,-0.4 1,-0.2 -11,-0.2 0.878 69.1 12.6 -91.4 -56.8 36.2 -3.4 8.4 58 60 A D B > -I 45 0B 1 -13,-1.9 3,-1.6 3,-0.2 -13,-0.8 -0.855 54.0-168.9-132.8 107.5 33.2 -4.0 6.2 59 61 A L T 3 S+ 0 0 10 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.637 89.7 55.5 -62.3 -21.8 30.7 -1.2 5.3 60 62 A Y T 3 S+ 0 0 9 1,-0.1 2,-0.6 -15,-0.1 -1,-0.3 0.257 89.6 81.6 -96.5 7.8 28.1 -3.6 3.9 61 63 A D < + 0 0 0 -3,-1.6 -16,-2.7 -16,-0.1 2,-0.4 -0.862 51.3 175.6-116.5 89.8 27.9 -5.7 7.1 62 64 A L S S- 0 0 0 -2,-0.6 11,-0.2 -18,-0.3 19,-0.2 -0.150 82.6 -58.5 -88.0 41.8 25.6 -3.9 9.4 63 65 A G S S+ 0 0 2 -2,-0.4 15,-1.7 9,-0.2 16,-0.3 0.873 117.1 110.5 82.2 45.6 25.7 -6.7 12.0 64 66 A E + 0 0 62 13,-0.2 2,-0.3 1,-0.1 8,-0.1 0.616 61.0 53.0-123.3 -25.6 24.4 -9.2 9.5 65 67 A F S S- 0 0 29 6,-0.4 2,-1.3 5,-0.1 -1,-0.1 -0.868 84.1-107.3-118.8 152.8 27.3 -11.6 8.6 66 68 A H + 0 0 123 77,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.648 66.1 136.8 -78.4 94.7 29.6 -13.7 10.7 67 69 A Q B > +J 70 0C 6 3,-2.2 3,-1.3 -2,-1.3 -2,-0.1 -0.988 59.1 19.3-139.9 147.8 32.8 -11.8 10.2 68 70 A K T 3 S- 0 0 68 -2,-0.3 -19,-0.5 1,-0.2 -1,-0.1 0.817 132.9 -61.9 59.7 33.1 35.5 -10.8 12.7 69 71 A G T 3 S+ 0 0 63 1,-0.1 2,-0.3 -21,-0.1 -1,-0.2 0.509 121.4 70.5 73.2 13.8 34.2 -13.6 15.0 70 72 A T B < -J 67 0C 9 -3,-1.3 -3,-2.2 -5,-0.1 -1,-0.1 -0.980 59.2-152.2-155.2 154.7 30.7 -12.2 15.4 71 73 A V S S+ 0 0 62 -2,-0.3 -6,-0.4 -5,-0.3 -1,-0.1 0.834 86.2 57.3 -90.5 -55.9 27.5 -11.5 13.5 72 74 A R S S- 0 0 51 -8,-0.1 5,-0.2 1,-0.1 -9,-0.2 -0.268 82.7-127.8 -71.7 159.2 26.3 -8.6 15.5 73 75 A T - 0 0 7 3,-2.5 -24,-0.1 -11,-0.2 -1,-0.1 -0.218 47.7 -81.4 -88.6-171.7 28.4 -5.4 15.9 74 76 A K S S+ 0 0 15 -23,-0.4 -57,-1.7 -26,-0.2 -55,-0.3 0.870 132.4 44.5 -60.2 -34.8 29.0 -4.0 19.5 75 77 A Y S S- 0 0 2 1,-0.2 -55,-2.1 -58,-0.2 -54,-0.4 0.688 120.0 -83.9 -84.4 -27.5 25.5 -2.4 19.4 76 78 A G - 0 0 0 -57,-0.2 -3,-2.5 -58,-0.1 -1,-0.2 -0.981 54.8 -44.4 153.9-163.8 23.4 -5.2 17.9 77 79 A T > - 0 0 44 -2,-0.3 4,-2.2 -60,-0.2 -13,-0.2 -0.563 51.7-106.8 -98.6 166.8 22.1 -6.8 14.8 78 80 A K H > S+ 0 0 18 -15,-1.7 4,-2.4 1,-0.2 5,-0.1 0.896 120.1 54.0 -59.5 -37.6 20.9 -5.2 11.6 79 81 A G H > S+ 0 0 36 -16,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.908 107.3 47.8 -63.9 -44.7 17.4 -6.2 12.4 80 82 A E H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 112.1 52.1 -63.9 -36.5 17.5 -4.6 15.8 81 83 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.898 109.2 49.0 -65.6 -40.7 18.9 -1.5 14.2 82 84 A Q H X S+ 0 0 75 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.883 110.8 50.4 -68.1 -35.2 16.1 -1.4 11.7 83 85 A S H X S+ 0 0 57 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.902 109.1 51.6 -68.5 -40.2 13.5 -1.8 14.4 84 86 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.913 109.9 49.1 -63.4 -42.4 15.0 1.0 16.4 85 87 A I H X S+ 0 0 5 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.891 107.9 55.1 -65.6 -36.8 14.9 3.3 13.3 86 88 A K H X S+ 0 0 150 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.907 109.7 45.4 -61.9 -45.6 11.3 2.4 12.6 87 89 A S H X S+ 0 0 18 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.864 111.5 53.4 -67.5 -35.7 10.2 3.4 16.1 88 90 A L H ><>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 3,-0.6 0.956 110.3 46.6 -64.5 -47.0 12.3 6.6 15.8 89 91 A H H ><5S+ 0 0 50 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.879 105.0 60.0 -63.3 -35.9 10.6 7.5 12.6 90 92 A S H 3<5S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.2 47.0 -60.4 -27.7 7.1 6.7 14.0 91 93 A R T <<5S- 0 0 111 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.332 121.4-110.1 -94.3 6.2 7.9 9.5 16.6 92 94 A D T < 5S+ 0 0 140 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.916 71.8 139.8 66.0 41.2 9.1 11.9 13.9 93 95 A I < - 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