==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALPHA-AMYLASE 30-JAN-98 1BAG . COMPND 2 MOLECULE: ALPHA-1,4-GLUCAN-4-GLUCANOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Z.FUJIMOTO,H.MIZUNO,K.TAKASE,N.DOUI . 425 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 11.3 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 3 0.7 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 . 37 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 19.8 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+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 2 3 0 0 0 0 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 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 . 2 4 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 0 0 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 L 0 0 75 0, 0.0 2,-0.3 0, 0.0 339,-0.1 0.000 360.0 360.0 360.0 -37.5 -7.4 10.9 39.5 2 2 A T - 0 0 57 338,-0.1 33,-0.1 7,-0.1 32,-0.1 -0.901 360.0-144.2-148.2 108.8 -9.8 10.7 36.5 3 3 A A - 0 0 10 -2,-0.3 6,-0.1 2,-0.1 341,-0.1 -0.328 28.8-106.2 -71.6 159.7 -13.5 11.0 37.1 4 4 A P S S+ 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.551 101.8 14.6 -63.9 -6.4 -16.1 9.0 35.1 5 5 A S S > S- 0 0 40 1,-0.1 3,-0.9 88,-0.0 4,-0.3 -0.978 79.3-109.0-163.9 156.0 -17.1 12.2 33.2 6 6 A I G > S+ 0 0 2 -2,-0.3 3,-1.4 1,-0.2 29,-0.2 0.884 118.3 58.8 -55.3 -38.3 -15.8 15.7 32.6 7 7 A K G 3 S+ 0 0 48 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.727 104.8 48.0 -64.3 -28.5 -18.6 17.0 34.8 8 8 A S G < S+ 0 0 38 -3,-0.9 -1,-0.3 292,-0.1 -2,-0.2 0.318 109.2 64.7 -96.3 5.8 -17.4 15.0 37.8 9 9 A G S < S- 0 0 0 -3,-1.4 2,-0.4 -4,-0.3 25,-0.1 -0.382 86.6 -95.7-117.0-167.8 -13.8 16.1 37.5 10 10 A T - 0 0 0 23,-0.4 25,-1.7 290,-0.1 26,-1.2 -0.928 33.1-142.9-110.9 136.3 -11.6 19.1 37.7 11 11 A I E -ab 36 302A 0 290,-2.6 292,-3.0 -2,-0.4 2,-0.6 -0.893 5.8-144.7-102.9 130.6 -10.7 20.9 34.5 12 12 A L E -ab 37 303A 0 24,-2.1 26,-2.9 -2,-0.5 2,-1.2 -0.831 9.6-144.1 -93.6 123.8 -7.3 22.4 34.1 13 13 A H E -ab 38 304A 2 290,-3.5 2,-2.7 -2,-0.6 292,-1.8 -0.744 9.0-161.0 -88.0 95.2 -7.3 25.7 32.1 14 14 A A > - 0 0 0 24,-1.7 3,-1.9 -2,-1.2 2,-0.4 -0.429 17.1-160.1 -75.2 70.0 -4.1 25.4 30.1 15 15 A W T 3 - 0 0 7 -2,-2.7 3,-0.1 1,-0.3 308,-0.1 -0.385 69.1 -12.7 -61.4 111.0 -4.1 29.2 29.5 16 16 A N T 3 S+ 0 0 2 -2,-0.4 307,-3.1 1,-0.3 2,-0.4 0.650 92.2 148.3 72.2 17.1 -1.9 29.9 26.5 17 17 A W B < -i 323 0B 1 -3,-1.9 23,-0.4 305,-0.1 -1,-0.3 -0.720 46.3-126.9 -82.6 130.9 -0.3 26.4 26.4 18 18 A S > - 0 0 20 305,-2.2 4,-2.5 -2,-0.4 57,-0.2 -0.334 22.7-107.3 -72.0 162.2 0.6 25.5 22.9 19 19 A F H > S+ 0 0 0 55,-2.3 4,-2.8 1,-0.2 5,-0.1 0.909 120.4 49.2 -56.8 -41.7 -0.6 22.1 21.5 20 20 A N H > S+ 0 0 50 54,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.855 109.0 50.6 -66.7 -40.4 2.9 20.7 21.7 21 21 A T H > S+ 0 0 23 302,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 112.1 49.1 -62.9 -45.3 3.5 21.8 25.3 22 22 A L H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.980 109.2 51.2 -54.5 -59.5 0.2 20.2 26.2 23 23 A K H >< S+ 0 0 46 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.843 112.6 47.9 -46.0 -41.7 1.1 17.0 24.4 24 24 A H H 3< S+ 0 0 141 -4,-2.2 3,-0.3 1,-0.2 -1,-0.3 0.785 110.9 49.1 -74.9 -26.6 4.3 16.9 26.3 25 25 A N T S+ 0 0 4 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.824 74.8 51.0 -71.8 -40.2 0.1 14.9 29.5 27 27 A K H > S+ 0 0 120 -3,-0.3 4,-2.7 -4,-0.2 5,-0.2 0.968 113.4 48.9 -63.7 -44.2 1.5 12.4 32.0 28 28 A D H > S+ 0 0 53 1,-0.2 4,-2.5 -4,-0.2 -2,-0.2 0.887 109.2 49.1 -59.2 -47.7 1.9 15.2 34.5 29 29 A I H <>S+ 0 0 0 -4,-1.9 5,-1.7 1,-0.2 -1,-0.2 0.850 113.4 49.7 -62.1 -33.6 -1.7 16.6 34.0 30 30 A H H ><5S+ 0 0 41 -4,-1.7 3,-1.7 3,-0.2 -2,-0.2 0.926 109.8 49.8 -69.3 -47.4 -2.9 13.0 34.5 31 31 A D H 3<5S+ 0 0 79 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.898 103.9 59.9 -58.5 -41.3 -0.8 12.5 37.6 32 32 A A T 3<5S- 0 0 2 -4,-2.5 -1,-0.3 -5,-0.2 307,-0.2 0.497 118.7-112.4 -67.3 -6.3 -2.2 15.8 39.0 33 33 A G T < 5 + 0 0 0 -3,-1.7 -23,-0.4 1,-0.2 2,-0.3 0.760 61.7 149.9 83.9 26.3 -5.7 14.3 38.8 34 34 A Y < - 0 0 0 -5,-1.7 -1,-0.2 1,-0.1 -23,-0.2 -0.738 30.0-165.9 -92.3 143.1 -7.4 16.4 36.1 35 35 A T S S+ 0 0 2 -25,-1.7 58,-2.5 -2,-0.3 2,-0.3 0.766 72.7 21.3 -96.1 -28.0 -10.1 14.8 34.0 36 36 A A E -ac 11 93A 0 -26,-1.2 -24,-2.1 56,-0.2 2,-0.4 -0.889 63.7-145.1-138.0 164.4 -10.3 17.4 31.3 37 37 A I E -ac 12 94A 0 56,-1.8 58,-3.6 -2,-0.3 2,-0.5 -0.982 8.4-148.6-130.6 140.5 -8.2 20.2 29.8 38 38 A Q E -ac 13 95A 1 -26,-2.9 -24,-1.7 -2,-0.4 58,-0.2 -0.963 16.7-162.2-114.0 125.4 -9.3 23.5 28.4 39 39 A T - 0 0 0 56,-2.5 58,-0.3 -2,-0.5 -24,-0.1 -0.411 24.1-104.4 -93.3 173.9 -7.3 25.0 25.6 40 40 A S S S- 0 0 1 -23,-0.4 57,-0.4 -26,-0.3 -1,-0.1 -0.382 70.1 -50.6 -88.4 174.3 -7.2 28.6 24.4 41 41 A P - 0 0 0 0, 0.0 -1,-0.2 0, 0.0 33,-0.2 -0.295 52.5-161.6 -52.4 121.1 -9.1 29.4 21.1 42 42 A I + 0 0 0 55,-0.4 28,-3.4 -3,-0.1 38,-0.1 0.443 55.3 95.3 -85.3 -2.2 -7.8 26.9 18.5 43 43 A N E S-J 69 0C 0 26,-0.3 2,-0.4 18,-0.2 26,-0.2 -0.290 88.1 -78.7 -90.3 174.6 -8.9 28.8 15.5 44 44 A Q E -J 66 0C 74 24,-2.0 21,-2.3 22,-0.5 22,-1.3 -0.566 58.8-178.9 -71.5 123.1 -7.2 31.3 13.1 45 45 A V E -J 64 0C 6 -2,-0.4 2,-1.1 19,-0.3 27,-0.2 -0.702 40.3 -86.6-122.8 170.9 -7.0 34.7 14.7 46 46 A K - 0 0 43 17,-2.7 2,-2.1 14,-0.4 16,-0.1 -0.705 42.2-149.9 -79.3 102.1 -5.8 38.2 14.0 47 47 A E > - 0 0 72 -2,-1.1 4,-1.0 14,-0.1 5,-0.1 -0.470 27.0-170.2 -77.1 75.3 -2.2 37.9 15.1 48 48 A G T >4 + 0 0 6 -2,-2.1 3,-1.7 2,-0.2 4,-0.3 0.183 55.5 38.1 -61.8 177.2 -1.7 41.5 16.3 49 49 A N G >4 S- 0 0 97 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.924 136.4 -59.8 41.9 49.4 1.4 43.5 17.3 50 50 A Q G 34 S- 0 0 190 1,-0.3 -1,-0.3 2,-0.0 -2,-0.2 0.769 91.2 -68.2 52.1 36.0 3.2 41.6 14.6 51 51 A G G << S+ 0 0 3 -3,-1.7 -1,-0.3 -4,-1.0 -2,-0.2 0.553 79.0 174.8 65.9 10.1 2.5 38.2 16.2 52 52 A D < - 0 0 78 -3,-2.1 -1,-0.2 -4,-0.3 5,-0.1 -0.177 29.5-141.3 -52.3 137.9 4.7 38.9 19.2 53 53 A K + 0 0 48 3,-0.1 269,-2.9 268,-0.1 -1,-0.1 0.295 52.0 133.8 -85.4 3.2 4.6 36.1 21.8 54 54 A S > - 0 0 52 267,-0.2 3,-2.8 1,-0.1 267,-0.1 -0.360 66.5-120.9 -57.8 138.4 4.7 38.3 25.0 55 55 A M G > S+ 0 0 13 265,-0.5 3,-2.0 1,-0.3 -1,-0.1 0.776 109.2 71.3 -52.2 -28.5 2.1 37.2 27.5 56 56 A S G 3 S+ 0 0 55 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.670 88.7 63.6 -65.0 -14.5 0.6 40.7 27.3 57 57 A N G X + 0 0 5 -3,-2.8 3,-2.5 1,-0.2 4,-0.3 0.344 65.4 115.7 -90.4 5.2 -0.7 39.9 23.8 58 58 A W G X + 0 0 13 -3,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.758 62.9 69.6 -43.5 -36.4 -2.9 37.1 25.2 59 59 A Y G > S+ 0 0 86 -3,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.613 78.0 76.8 -63.1 -16.5 -6.1 39.0 24.0 60 60 A W G X S+ 0 0 22 -3,-2.5 3,-1.5 1,-0.3 -14,-0.4 0.791 80.2 73.0 -68.1 -19.6 -5.3 38.4 20.3 61 61 A L G < S+ 0 0 1 -3,-1.5 -1,-0.3 -4,-0.3 -18,-0.2 0.510 91.3 57.3 -72.2 -1.9 -6.6 34.9 20.7 62 62 A Y G < S+ 0 0 22 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.1 0.118 86.4 83.6-114.6 20.3 -10.2 36.1 21.0 63 63 A Q < - 0 0 19 -3,-1.5 -17,-2.7 -17,-0.1 41,-0.3 -0.709 68.7-161.4-123.7 79.8 -10.3 38.0 17.7 64 64 A P E +J 45 0C 0 0, 0.0 40,-2.6 0, 0.0 -19,-0.3 -0.201 21.8 178.8 -63.5 148.2 -11.1 35.3 15.0 65 65 A T E S- 0 0 6 -21,-2.3 46,-2.7 1,-0.6 49,-0.3 0.616 75.8 -6.5-115.8 -34.6 -10.4 35.9 11.3 66 66 A S E -J 44 0C 0 -22,-1.3 -1,-0.6 2,-0.2 -22,-0.5 -0.959 67.7-116.1-155.6 158.0 -11.7 32.5 10.0 67 67 A Y E S+ 0 0 7 -2,-0.3 2,-0.2 -24,-0.1 -22,-0.1 -0.012 70.8 124.2 -95.1 35.0 -12.9 29.4 11.6 68 68 A Q E - 0 0 82 -24,-0.1 -24,-2.0 2,-0.1 2,-0.3 -0.598 66.6-109.9 -83.5 153.6 -10.1 27.2 10.3 69 69 A I E S+J 43 0C 14 -26,-0.2 8,-0.6 -2,-0.2 -26,-0.3 -0.665 75.5 52.4 -92.2 141.2 -8.1 25.4 13.0 70 70 A G E -K 76 0D 12 -28,-3.4 2,-0.3 -2,-0.3 6,-0.3 0.007 49.8-174.9 111.2 137.3 -4.5 26.4 13.9 71 71 A N E > -K 75 0D 12 4,-3.0 4,-2.5 -27,-0.2 -27,-0.1 -0.971 39.1-104.6-158.3 160.9 -2.8 29.6 14.7 72 72 A R T 4 S+ 0 0 133 -2,-0.3 4,-0.1 1,-0.2 -28,-0.1 0.759 113.7 52.9 -59.8 -31.6 0.7 30.9 15.4 73 73 A Y T 4 S+ 0 0 5 2,-0.1 -1,-0.2 1,-0.1 -55,-0.1 0.943 126.7 15.5 -72.9 -49.5 0.3 31.2 19.1 74 74 A L T 4 S- 0 0 3 1,-0.3 -55,-2.3 -33,-0.2 -54,-0.5 0.754 109.3-115.5 -96.9 -35.0 -0.9 27.6 19.9 75 75 A G E < -K 71 0D 12 -4,-2.5 -4,-3.0 -57,-0.2 -1,-0.3 -0.796 39.2 -33.3 134.0-167.8 -0.0 25.7 16.7 76 76 A T E > -K 70 0D 72 -6,-0.3 4,-2.6 -2,-0.3 -6,-0.3 -0.451 49.6-109.5 -94.7 163.9 -1.4 23.8 13.8 77 77 A E H > S+ 0 0 33 -8,-0.6 4,-2.9 1,-0.2 5,-0.2 0.844 119.1 53.1 -57.2 -40.0 -4.5 21.5 13.4 78 78 A Q H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 109.6 48.8 -62.9 -42.8 -2.3 18.4 13.1 79 79 A E H > S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.927 110.7 50.8 -62.6 -42.7 -0.6 19.3 16.3 80 80 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.953 112.1 47.6 -57.6 -51.2 -4.0 19.8 17.9 81 81 A K H X S+ 0 0 75 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.858 111.9 49.5 -57.2 -41.4 -5.0 16.4 16.6 82 82 A E H X S+ 0 0 88 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.888 110.6 50.8 -68.2 -36.1 -1.8 14.8 17.9 83 83 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.887 106.3 53.6 -69.4 -38.1 -2.4 16.5 21.3 84 84 A C H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.819 110.7 48.5 -64.6 -31.5 -6.0 15.2 21.6 85 85 A A H X S+ 0 0 46 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.846 109.7 50.3 -75.8 -37.1 -4.6 11.7 20.9 86 86 A A H < S+ 0 0 23 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.884 110.8 51.4 -68.3 -35.8 -1.9 12.1 23.6 87 87 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-1.9 0.956 107.0 52.1 -64.8 -47.3 -4.6 13.2 26.0 88 88 A E H ><5S+ 0 0 140 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.775 94.5 72.4 -60.4 -25.6 -6.7 10.2 25.2 89 89 A E T 3<5S+ 0 0 149 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.770 108.5 33.2 -62.4 -24.7 -3.7 8.0 26.0 90 90 A Y T < 5S- 0 0 86 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.040 122.0-102.4-115.8 19.2 -4.2 8.8 29.7 91 91 A G T < 5S+ 0 0 39 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.702 72.4 148.2 68.1 21.4 -7.9 9.1 29.6 92 92 A I < - 0 0 4 -5,-2.4 2,-0.3 -6,-0.2 -56,-0.2 -0.706 37.5-142.4 -91.8 137.7 -7.9 12.9 29.6 93 93 A K E -c 36 0A 48 -58,-2.5 -56,-1.8 -2,-0.3 2,-0.4 -0.692 10.6-133.9 -97.4 153.8 -10.7 14.8 27.7 94 94 A V E -c 37 0A 0 75,-0.3 77,-3.0 -2,-0.3 78,-1.0 -0.908 13.5-164.3-114.0 131.1 -10.1 18.1 25.8 95 95 A I E -cd 38 172A 0 -58,-3.6 -56,-2.5 -2,-0.4 2,-0.4 -0.942 11.0-148.1-115.7 132.4 -12.3 21.1 26.0 96 96 A V E - d 0 173A 0 76,-2.8 78,-2.2 -2,-0.4 2,-1.0 -0.876 12.4-133.3-108.0 131.1 -12.1 23.9 23.4 97 97 A D E - d 0 174A 0 -2,-0.4 2,-0.8 -57,-0.4 -55,-0.4 -0.729 28.3-162.9 -79.6 105.2 -12.7 27.6 24.0 98 98 A A E - d 0 175A 0 76,-1.6 78,-1.5 -2,-1.0 2,-1.4 -0.825 11.8-164.5-100.0 108.0 -15.0 28.4 21.1 99 99 A V + 0 0 0 -2,-0.8 3,-0.1 76,-0.2 76,-0.1 -0.669 32.7 146.9 -88.1 83.7 -15.3 32.2 20.4 100 100 A I + 0 0 1 -2,-1.4 -1,-0.2 76,-0.4 3,-0.1 0.157 48.5 74.6-109.2 18.4 -18.4 32.1 18.3 101 101 A N S S+ 0 0 1 1,-0.2 46,-1.4 75,-0.1 2,-0.3 0.709 106.6 0.9 -98.6 -21.0 -20.2 35.4 19.1 102 102 A H B -L 146 0E 3 44,-0.2 44,-0.2 -3,-0.1 2,-0.2 -0.895 56.0-137.3-155.2 175.8 -17.8 37.6 17.1 103 103 A T - 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