==== 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 HYDROLASE 31-JUL-97 1AQM . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR N.AGHAJARI,R.HASER . 448 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 12.1 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 . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 2 0.4 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 . 35 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 0 1 0 1 0 1 0 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 3 1 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 . 9 3 2 1 1 1 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 . 4 2 1 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 T 0 0 103 0, 0.0 351,-0.1 0, 0.0 352,-0.1 0.000 360.0 360.0 360.0 135.0 25.1 5.6 16.8 2 2 A P + 0 0 90 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.337 360.0 144.3 -60.3 130.0 24.2 9.3 15.8 3 3 A T + 0 0 12 25,-0.5 2,-0.4 1,-0.2 26,-0.1 0.484 51.5 56.8-143.4 -13.7 21.3 9.7 13.4 4 4 A T - 0 0 0 24,-0.4 26,-3.2 294,-0.1 27,-0.6 -0.970 51.8-166.0-134.0 142.1 19.3 12.8 14.2 5 5 A F E -ab 31 300A 0 294,-2.1 296,-2.6 -2,-0.4 2,-0.3 -0.635 12.9-141.0-116.4 176.6 20.0 16.5 14.6 6 6 A V E -ab 32 301A 0 25,-1.5 27,-2.9 294,-0.3 2,-0.8 -0.994 10.4-133.7-142.4 144.7 17.9 19.4 16.1 7 7 A H E -ab 33 302A 0 294,-2.5 2,-1.6 -2,-0.3 296,-1.0 -0.886 13.1-164.6 -99.3 105.7 17.2 23.0 15.4 8 8 A L E > - b 0 303A 1 25,-1.5 3,-1.8 -2,-0.8 27,-0.4 -0.604 24.0-154.0 -89.5 73.7 17.5 25.1 18.6 9 9 A F T 3 - 0 0 1 -2,-1.6 3,-0.1 294,-1.0 25,-0.1 -0.297 67.2 -10.9 -56.6 119.1 15.7 28.0 17.0 10 10 A E T 3 S+ 0 0 16 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.611 92.6 148.4 64.4 13.9 16.6 31.4 18.5 11 11 A W < - 0 0 0 -3,-1.8 24,-0.3 1,-0.1 -1,-0.2 -0.646 45.8-125.6 -79.4 132.9 18.5 29.7 21.4 12 12 A N > - 0 0 46 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.329 25.5-103.8 -73.7 164.1 21.4 31.9 22.6 13 13 A W H > S+ 0 0 0 48,-2.2 4,-2.3 1,-0.2 5,-0.2 0.811 118.6 54.3 -59.5 -34.7 25.0 30.4 22.8 14 14 A Q H > S+ 0 0 83 47,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.922 110.8 46.5 -65.3 -46.7 24.9 30.0 26.7 15 15 A D H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.887 112.3 50.0 -64.4 -39.7 21.7 28.0 26.5 16 16 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 109.5 50.9 -64.8 -47.4 23.0 25.8 23.6 17 17 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.937 113.5 44.6 -55.7 -49.1 26.3 25.0 25.4 18 18 A Q H X S+ 0 0 54 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.887 112.0 53.4 -63.0 -40.4 24.4 23.9 28.6 19 19 A E H X>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 4,-2.1 0.864 105.7 53.7 -63.8 -36.9 21.9 21.9 26.6 20 20 A a H <>S+ 0 0 0 -4,-2.4 5,-2.3 3,-0.2 -1,-0.2 0.918 115.4 39.6 -61.9 -46.1 24.7 20.0 24.8 21 21 A E H <5S+ 0 0 81 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.928 122.8 37.6 -70.0 -48.8 26.2 19.0 28.2 22 22 A Q H <5S- 0 0 110 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.779 137.0 -7.3 -78.8 -27.5 23.1 18.2 30.2 23 23 A Y T X5S+ 0 0 29 -4,-2.1 4,-2.7 -5,-0.3 -3,-0.2 0.710 118.4 57.3-136.7 -56.3 20.9 16.6 27.5 24 24 A L H >XS+ 0 0 0 -5,-2.3 5,-2.2 2,-0.2 4,-0.6 0.892 112.5 44.2 -54.9 -46.6 21.8 16.5 23.8 25 25 A G H >4 S- 0 0 64 1,-0.1 3,-1.5 268,-0.1 4,-0.3 -0.279 74.1-126.1 -64.5 146.3 11.6 39.9 15.1 46 46 A W G > S+ 0 0 11 266,-1.3 3,-1.5 1,-0.3 4,-0.1 0.876 105.5 63.7 -60.3 -36.8 13.0 36.4 14.5 47 47 A W G > S+ 0 0 81 265,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.475 75.3 86.2 -70.4 -1.8 13.6 37.2 10.8 48 48 A T G X S+ 0 0 0 -3,-1.5 3,-1.6 1,-0.3 -7,-0.8 0.825 79.5 68.9 -66.2 -26.3 16.1 39.9 11.5 49 49 A R G < S+ 0 0 1 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.735 92.1 59.5 -62.5 -23.3 18.6 37.0 11.6 50 50 A Y G < S+ 0 0 22 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.179 89.4 75.2 -94.5 19.5 18.1 36.6 7.8 51 51 A Q S < S- 0 0 33 -3,-1.6 -10,-1.6 -10,-0.1 -1,-0.2 -0.789 75.4-157.5-131.5 84.0 19.2 40.1 6.9 52 52 A P B +I 40 0B 0 0, 0.0 39,-2.5 0, 0.0 -12,-0.3 -0.241 23.2 178.5 -63.8 148.7 23.1 40.1 7.2 53 53 A V S S- 0 0 0 -14,-2.4 57,-0.4 1,-0.5 2,-0.2 0.619 71.6 -26.8-116.9 -37.6 25.2 43.3 7.7 54 54 A S - 0 0 2 -15,-1.2 -1,-0.5 2,-0.2 -15,-0.0 -0.865 62.7-100.4-160.4-173.3 28.6 41.6 7.9 55 55 A Y S S+ 0 0 33 -2,-0.2 2,-0.2 -17,-0.2 -15,-0.0 0.171 71.9 127.3-108.6 15.7 30.2 38.3 8.8 56 56 A E - 0 0 100 1,-0.1 2,-1.8 2,-0.1 -17,-1.5 -0.516 69.0-118.3 -71.6 140.4 31.4 39.3 12.3 57 57 A L S S+ 0 0 9 -19,-0.2 2,-0.4 -2,-0.2 10,-0.2 -0.347 76.3 112.4 -82.7 60.9 30.3 36.9 15.0 58 58 A Q + 0 0 85 -2,-1.8 -18,-0.4 5,-0.2 2,-0.2 -0.928 39.4 132.7-134.3 105.2 28.1 39.3 17.1 59 59 A S B > S-K 62 0D 13 3,-2.2 3,-1.6 -2,-0.4 -20,-0.1 -0.740 72.6 -73.5-138.4-172.9 24.4 38.6 17.0 60 60 A R T 3 S+ 0 0 78 1,-0.3 3,-0.1 -2,-0.2 -48,-0.1 0.758 126.3 59.8 -61.0 -25.9 21.3 38.2 19.1 61 61 A G T 3 S- 0 0 5 -25,-0.3 -48,-2.2 1,-0.3 -47,-0.4 0.682 119.9 -86.8 -77.4 -18.9 22.7 34.8 20.2 62 62 A G B < -K 59 0D 14 -3,-1.6 -3,-2.2 -50,-0.2 -1,-0.3 -0.866 50.7 -52.8 142.3-174.7 25.9 36.3 21.7 63 63 A N > - 0 0 60 -2,-0.3 4,-2.2 -5,-0.2 -5,-0.2 -0.350 56.8 -91.0 -93.4 178.3 29.5 37.5 20.9 64 64 A R H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.844 123.8 50.7 -56.9 -41.7 32.4 35.7 19.3 65 65 A A H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 111.2 48.0 -64.7 -44.1 33.8 34.3 22.6 66 66 A Q H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.863 111.4 51.8 -64.7 -36.1 30.4 32.9 23.6 67 67 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 -10,-0.2 -2,-0.2 0.950 111.6 45.2 -65.3 -49.3 30.1 31.3 20.2 68 68 A I H X S+ 0 0 45 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.895 110.6 54.7 -61.1 -41.0 33.5 29.7 20.4 69 69 A D H X S+ 0 0 63 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.928 108.1 50.6 -58.1 -45.8 32.7 28.5 23.9 70 70 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.912 109.1 48.9 -60.7 -46.3 29.6 26.9 22.7 71 71 A V H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.925 114.4 46.9 -60.4 -43.3 31.3 25.0 19.8 72 72 A N H X S+ 0 0 91 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.936 114.5 44.6 -62.7 -52.1 34.0 23.7 22.3 73 73 A R H X S+ 0 0 65 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.879 116.0 46.7 -63.4 -39.3 31.6 22.6 25.0 74 74 A a H X>S+ 0 0 0 -4,-2.4 5,-2.9 -5,-0.2 4,-0.5 0.926 110.9 53.1 -69.7 -41.0 29.2 20.9 22.6 75 75 A S H ><5S+ 0 0 63 -4,-2.4 3,-1.3 -5,-0.3 -2,-0.2 0.911 107.9 49.8 -59.8 -43.4 32.1 19.2 20.8 76 76 A A H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.7 54.0 -65.6 -30.6 33.4 17.8 24.1 77 77 A A H 3<5S- 0 0 31 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.521 125.0-104.8 -79.6 -8.0 29.9 16.5 24.8 78 78 A G T <<5S+ 0 0 56 -3,-1.3 2,-0.5 -4,-0.5 -3,-0.2 0.656 80.2 126.8 91.6 21.8 29.9 14.7 21.4 79 79 A V < - 0 0 2 -5,-2.9 -48,-0.2 -6,-0.1 -1,-0.2 -0.943 47.8-143.9-120.2 123.4 27.6 17.2 19.6 80 80 A D E -c 31 0A 55 -50,-2.2 -48,-2.2 -2,-0.5 2,-0.4 -0.344 11.7-133.5 -79.3 158.0 28.4 19.0 16.3 81 81 A I E -c 32 0A 3 86,-0.3 88,-1.5 -50,-0.2 89,-1.5 -0.952 13.7-165.4-115.6 128.5 27.4 22.5 15.4 82 82 A Y E -cd 33 170A 8 -50,-2.9 -48,-2.2 -2,-0.4 2,-0.5 -0.972 15.3-144.5-112.3 126.1 25.8 23.3 12.0 83 83 A V E -cd 34 171A 0 87,-2.5 89,-2.5 -2,-0.5 2,-0.8 -0.818 11.2-130.1 -98.2 129.4 25.7 27.0 11.1 84 84 A D E - d 0 172A 0 -50,-0.8 2,-0.5 -2,-0.5 89,-0.2 -0.685 35.5-165.2 -74.5 111.4 22.8 28.6 9.1 85 85 A T E - d 0 173A 2 87,-3.2 89,-2.7 -2,-0.8 2,-1.0 -0.896 18.2-142.0-111.8 130.6 24.7 30.5 6.4 86 86 A L E + d 0 174A 5 -2,-0.5 89,-0.1 87,-0.2 87,-0.1 -0.725 32.1 158.9 -90.3 96.2 23.3 33.2 4.2 87 87 A I + 0 0 3 -2,-1.0 -1,-0.2 87,-0.6 88,-0.1 0.545 66.0 54.0 -95.8 -6.4 24.8 32.7 0.7 88 88 A N S S+ 0 0 1 86,-0.3 57,-1.7 1,-0.1 2,-0.3 0.822 107.0 1.0 -99.3 -32.5 22.1 34.5 -1.4 89 89 A H E -L 144 0E 2 55,-0.2 2,-0.3 -39,-0.1 55,-0.2 -0.855 45.9-134.0-151.0 177.2 21.7 38.0 0.0 90 90 A M E -L 143 0E 0 53,-1.6 53,-0.8 -2,-0.3 -37,-0.2 -0.756 56.3 -59.2-126.0 175.0 22.4 40.9 2.4 91 91 A A - 0 0 2 -39,-2.5 52,-0.3 -2,-0.3 15,-0.2 -0.127 50.9-118.9 -59.8 151.0 20.0 43.2 4.3 92 92 A A S S- 0 0 31 50,-0.1 50,-0.1 48,-0.1 -1,-0.1 -0.506 70.1 -11.6 -86.9 156.6 17.4 45.4 2.6 93 93 A G S S- 0 0 55 48,-0.3 13,-0.5 -2,-0.2 12,-0.3 -0.212 98.2 -46.5 62.6-138.4 17.4 49.1 2.9 94 94 A S S S+ 0 0 85 10,-0.2 2,-0.3 11,-0.1 10,-0.2 -0.909 70.0 98.6-132.8 162.4 19.5 51.0 5.5 95 95 A G E -M 103 0F 36 8,-2.1 8,-1.8 -2,-0.3 2,-0.3 -0.996 59.5 -66.4 159.1-157.3 20.3 50.7 9.2 96 96 A T E -M 102 0F 60 -2,-0.3 -54,-1.3 6,-0.2 6,-0.2 -0.957 39.8-133.7-133.4 146.1 22.7 49.6 11.8 97 97 A G B > -J 41 0C 4 4,-2.9 3,-2.0 -2,-0.3 -56,-0.2 -0.496 31.3 -96.3 -97.9 175.1 23.8 46.0 12.7 98 98 A T T 3 S+ 0 0 39 -58,-2.1 -57,-0.1 1,-0.3 -39,-0.1 0.579 123.0 49.4 -65.7 -13.3 24.3 44.1 15.9 99 99 A A T 3 S- 0 0 26 -59,-0.2 -1,-0.3 2,-0.1 -40,-0.1 0.171 125.1 -97.6-108.2 11.7 28.0 44.8 16.0 100 100 A G S < S+ 0 0 54 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.359 76.5 140.3 91.9 -5.4 27.6 48.5 15.4 101 101 A N - 0 0 44 -5,-0.1 -4,-2.9 1,-0.0 -1,-0.3 -0.430 41.2-140.5 -75.3 144.2 28.2 48.6 11.6 102 102 A S E +M 96 0F 91 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.670 22.0 174.7 -99.1 159.9 26.1 50.9 9.3 103 103 A F E +M 95 0F 16 -8,-1.8 -8,-2.1 -2,-0.2 2,-0.2 -0.972 7.3 147.6-157.8 159.6 24.8 50.0 5.9 104 104 A G B > +N 107 0G 12 3,-1.8 3,-0.9 -2,-0.3 -10,-0.2 -0.775 58.0 26.7 168.9 147.2 22.6 51.5 3.2 105 105 A N T 3 S- 0 0 141 -12,-0.3 -11,-0.1 1,-0.3 3,-0.1 0.892 130.6 -54.8 54.6 45.3 22.1 51.8 -0.5 106 106 A K T 3 S+ 0 0 40 -13,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.765 109.6 128.1 60.1 28.5 23.7 48.3 -1.1 107 107 A S B < +N 104 0G 54 -3,-0.9 -3,-1.8 5,-0.1 5,-0.2 -0.977 28.4 161.6-117.8 120.5 26.9 49.5 0.7 108 108 A F - 0 0 19 3,-2.8 3,-0.2 -2,-0.5 -5,-0.1 -0.767 55.3 -96.0-129.5 171.6 28.1 47.3 3.6 109 109 A P S S+ 0 0 61 0, 0.0 -55,-0.1 0, 0.0 -6,-0.1 0.859 126.1 25.9 -59.8 -32.1 31.4 46.9 5.4 110 110 A I S S+ 0 0 45 -57,-0.4 2,-0.3 1,-0.1 -56,-0.1 0.399 120.8 51.3-113.4 2.1 32.3 44.0 3.1 111 111 A Y - 0 0 8 -3,-0.2 -3,-2.8 34,-0.0 -1,-0.1 -0.992 57.7-154.1-141.5 151.1 30.4 44.7 -0.2 112 112 A S > - 0 0 42 -2,-0.3 3,-1.9 -5,-0.2 -5,-0.1 -0.636 42.8 -97.1-113.6 168.5 29.8 47.6 -2.6 113 113 A P G > S+ 0 0 50 0, 0.0 3,-1.3 0, 0.0 -6,-0.1 0.829 122.5 63.4 -58.4 -28.5 26.8 48.2 -4.8 114 114 A Q G 3 S+ 0 0 150 1,-0.3 4,-0.1 4,-0.0 -8,-0.0 0.574 89.3 68.0 -73.5 -8.2 28.8 46.6 -7.7 115 115 A D G < S+ 0 0 26 -3,-1.9 31,-2.9 -9,-0.2 2,-0.3 0.335 94.2 71.3 -92.6 8.2 28.9 43.2 -5.8 116 116 A F B < S-O 145 0H 13 -3,-1.3 29,-0.2 29,-0.3 2,-0.1 -0.826 88.5-104.3-121.3 157.6 25.1 42.8 -6.2 117 117 A H - 0 0 26 27,-2.8 27,-0.2 -2,-0.3 3,-0.1 -0.453 55.4 -84.5 -72.5 155.4 22.9 42.0 -9.2 118 118 A E - 0 0 86 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 -0.364 60.8 -90.7 -62.1 137.3 20.9 44.9 -10.6 119 119 A S + 0 0 81 18,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.280 62.8 142.1 -58.3 130.0 17.7 45.4 -8.6 120 120 A b - 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