==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-FEB-02 1L0P . 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) . 16282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 8.0 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 . 4 0.9 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 . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 18.5 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 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 1 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 0 115 0, 0.0 2,-0.3 0, 0.0 351,-0.1 0.000 360.0 360.0 360.0 137.0 25.0 5.6 16.3 2 2 A P + 0 0 90 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.539 360.0 147.1 -70.6 129.3 24.2 9.3 15.6 3 3 A T + 0 0 12 25,-0.5 2,-0.3 -2,-0.3 26,-0.1 0.497 50.2 54.8-137.9 -15.7 21.3 9.6 13.2 4 4 A T - 0 0 0 24,-0.4 26,-3.3 294,-0.1 27,-0.6 -0.961 52.8-164.7-131.5 146.3 19.3 12.7 14.0 5 5 A F E -ab 31 300A 0 294,-2.2 296,-2.9 -2,-0.3 2,-0.3 -0.750 12.5-141.0-122.6 169.1 19.9 16.5 14.5 6 6 A V E -ab 32 301A 0 25,-1.7 27,-2.9 294,-0.3 2,-0.7 -0.975 9.9-134.3-134.7 148.6 17.9 19.3 16.0 7 7 A H E -ab 33 302A 0 294,-2.5 2,-1.6 -2,-0.3 296,-0.9 -0.902 12.1-163.6-103.3 106.3 17.1 22.9 15.3 8 8 A L E > - b 0 303A 0 25,-1.6 3,-1.9 -2,-0.7 27,-0.4 -0.623 23.6-152.6 -89.5 72.7 17.5 25.0 18.4 9 9 A F T 3 - 0 0 1 -2,-1.6 3,-0.1 294,-1.0 25,-0.1 -0.315 68.8 -12.5 -53.6 112.6 15.6 27.9 16.8 10 10 A E T 3 S+ 0 0 15 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.621 91.6 150.9 68.5 14.5 16.6 31.3 18.3 11 11 A W < - 0 0 0 -3,-1.9 24,-0.4 1,-0.1 -1,-0.2 -0.626 45.5-124.6 -77.4 132.9 18.4 29.6 21.3 12 12 A N > - 0 0 46 -2,-0.3 4,-1.9 -3,-0.1 3,-0.3 -0.361 27.0-102.9 -73.3 162.9 21.3 31.8 22.5 13 13 A W H > S+ 0 0 1 48,-2.3 4,-2.3 1,-0.2 5,-0.1 0.781 118.6 52.2 -59.4 -31.9 24.9 30.3 22.6 14 14 A Q H > S+ 0 0 107 47,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.895 109.6 49.1 -72.2 -39.8 24.9 29.7 26.4 15 15 A D H > S+ 0 0 3 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.850 112.7 48.6 -66.7 -35.7 21.6 27.8 26.3 16 16 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.948 109.2 51.8 -69.1 -48.7 22.9 25.7 23.5 17 17 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.920 114.0 44.1 -53.3 -47.1 26.2 24.9 25.2 18 18 A Q H X S+ 0 0 56 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.875 110.9 54.3 -66.3 -38.9 24.3 23.8 28.4 19 19 A E H X>S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 4,-2.0 0.868 105.5 54.4 -64.8 -34.4 21.8 21.8 26.3 20 20 A a H <>S+ 0 0 0 -4,-2.5 5,-2.3 3,-0.2 -1,-0.2 0.940 114.2 39.6 -63.0 -47.3 24.6 19.9 24.6 21 21 A E H <5S+ 0 0 81 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.891 123.6 36.6 -70.6 -43.5 26.2 18.8 28.0 22 22 A Q H <5S- 0 0 107 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.805 136.6 -4.8 -83.3 -31.6 23.0 18.1 29.9 23 23 A Y T X5S+ 0 0 27 -4,-2.0 4,-2.6 -5,-0.3 -3,-0.2 0.742 118.2 55.2-130.3 -57.9 20.8 16.6 27.2 24 24 A L H >XS+ 0 0 0 -5,-2.3 5,-2.1 1,-0.2 4,-0.7 0.896 112.8 44.1 -54.8 -47.5 21.7 16.4 23.5 25 25 A G H >4 S- 0 0 63 268,-0.1 3,-1.3 1,-0.1 4,-0.3 -0.234 72.7-127.9 -63.2 147.4 11.5 39.7 14.9 46 46 A W G > S+ 0 0 11 266,-1.4 3,-1.5 1,-0.2 4,-0.1 0.883 105.4 63.8 -63.7 -35.7 12.9 36.3 14.4 47 47 A W G > S+ 0 0 82 265,-0.4 3,-1.0 1,-0.3 -1,-0.2 0.430 75.7 85.0 -70.7 -0.0 13.5 37.1 10.7 48 48 A T G X S+ 0 0 0 -3,-1.3 3,-1.5 1,-0.2 -7,-0.8 0.793 80.3 68.3 -68.9 -26.8 16.1 39.8 11.4 49 49 A R G < S+ 0 0 1 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.723 92.7 59.8 -61.2 -24.7 18.5 36.9 11.5 50 50 A Y G < S+ 0 0 23 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.175 89.7 73.5 -93.3 17.8 18.0 36.4 7.8 51 51 A Q S < S- 0 0 31 -3,-1.5 -10,-1.5 -10,-0.1 -1,-0.2 -0.764 76.0-158.4-131.0 81.2 19.2 39.9 6.8 52 52 A P B -I 40 0B 0 0, 0.0 39,-2.6 0, 0.0 -12,-0.3 -0.234 22.4-179.4 -61.9 149.9 23.0 39.9 7.2 53 53 A V S S- 0 0 0 -14,-2.7 57,-0.4 1,-0.5 2,-0.3 0.610 71.3 -25.7-117.0 -37.0 25.1 43.1 7.7 54 54 A S - 0 0 3 -15,-1.2 -1,-0.5 2,-0.2 -15,-0.2 -0.887 62.7-100.5-160.5-174.4 28.5 41.4 7.8 55 55 A Y S S+ 0 0 31 -2,-0.3 2,-0.2 -17,-0.2 -15,-0.0 0.241 72.7 126.5-105.6 13.3 30.2 38.1 8.8 56 56 A E - 0 0 103 1,-0.1 2,-1.7 2,-0.1 -17,-1.4 -0.491 69.2-120.7 -69.2 138.8 31.3 39.2 12.2 57 57 A L S S+ 0 0 7 -19,-0.2 2,-0.5 -2,-0.2 10,-0.2 -0.361 75.1 115.2 -83.5 61.5 30.1 36.7 14.9 58 58 A Q + 0 0 76 -2,-1.7 -18,-0.4 5,-0.2 5,-0.2 -0.906 40.0 135.2-131.5 99.0 28.1 39.2 16.9 59 59 A S B > S-K 62 0D 9 3,-2.4 3,-1.5 -2,-0.5 -20,-0.1 -0.672 72.1 -77.6-133.6-171.4 24.4 38.4 16.9 60 60 A R T 3 S+ 0 0 77 1,-0.3 3,-0.1 -24,-0.2 -48,-0.1 0.760 126.1 60.3 -64.0 -24.5 21.3 38.1 19.0 61 61 A G T 3 S- 0 0 5 1,-0.3 -48,-2.3 -25,-0.3 -47,-0.4 0.658 120.6 -89.0 -78.1 -16.5 22.7 34.7 20.1 62 62 A G B < -K 59 0D 11 -3,-1.5 -3,-2.4 -50,-0.2 -1,-0.3 -0.842 50.9 -52.1 138.3-173.6 25.8 36.2 21.6 63 63 A N > - 0 0 58 -2,-0.3 4,-2.2 -5,-0.2 -5,-0.2 -0.283 56.2 -90.9 -94.4-179.1 29.3 37.3 20.7 64 64 A R H > S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 123.5 51.5 -59.2 -42.4 32.3 35.5 19.1 65 65 A A H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 111.5 46.7 -62.8 -44.4 33.7 34.3 22.4 66 66 A Q H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 112.8 51.1 -65.5 -36.1 30.3 32.8 23.5 67 67 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 -10,-0.2 -2,-0.2 0.944 111.5 45.9 -66.1 -49.5 29.9 31.2 20.1 68 68 A I H X S+ 0 0 50 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.902 111.6 53.2 -60.5 -39.8 33.4 29.6 20.2 69 69 A D H X S+ 0 0 70 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.928 107.9 51.5 -61.0 -44.7 32.7 28.4 23.7 70 70 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.897 109.1 49.2 -59.5 -45.1 29.4 26.8 22.5 71 71 A V H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.938 113.4 47.1 -61.6 -45.5 31.2 24.9 19.7 72 72 A N H X S+ 0 0 91 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.924 114.8 44.4 -61.7 -49.4 33.9 23.6 22.1 73 73 A R H X S+ 0 0 70 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.890 115.5 47.4 -65.5 -39.5 31.5 22.5 24.8 74 74 A a H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.2 3,-0.4 0.927 111.3 52.1 -67.3 -42.6 29.1 20.8 22.4 75 75 A S H ><5S+ 0 0 55 -4,-2.6 3,-1.4 -5,-0.3 -2,-0.2 0.895 107.2 51.8 -58.9 -43.6 32.0 19.1 20.6 76 76 A A H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 108.4 52.6 -64.6 -29.0 33.3 17.8 24.0 77 77 A A T 3<5S- 0 0 31 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.471 124.7-105.6 -84.5 -4.2 29.8 16.4 24.6 78 78 A G T < 5S+ 0 0 57 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.2 0.696 79.7 127.4 86.7 25.3 29.8 14.6 21.2 79 79 A V < - 0 0 1 -5,-2.8 -48,-0.2 -6,-0.1 -1,-0.2 -0.954 48.1-143.3-121.5 122.4 27.5 17.1 19.4 80 80 A D E -c 31 0A 55 -50,-2.3 -48,-2.3 -2,-0.5 2,-0.5 -0.350 11.1-133.4 -78.8 159.9 28.3 18.8 16.1 81 81 A I E -c 32 0A 3 86,-0.3 88,-1.5 -50,-0.2 89,-1.4 -0.955 14.0-165.5-117.5 128.0 27.3 22.4 15.2 82 82 A Y E -cd 33 170A 7 -50,-2.9 -48,-2.2 -2,-0.5 2,-0.5 -0.963 15.9-143.3-111.6 128.7 25.7 23.2 11.8 83 83 A V E -cd 34 171A 0 87,-2.5 89,-2.6 -2,-0.5 2,-0.7 -0.845 11.8-128.3-102.0 128.2 25.6 26.9 10.9 84 84 A D E - d 0 172A 0 -50,-0.8 2,-0.5 -2,-0.5 89,-0.2 -0.640 35.7-162.8 -71.7 110.0 22.7 28.5 9.1 85 85 A T E - d 0 173A 1 87,-3.4 89,-2.8 -2,-0.7 2,-1.0 -0.899 15.8-144.2-105.8 125.2 24.7 30.3 6.3 86 86 A L E + d 0 174A 4 -2,-0.5 89,-0.1 87,-0.2 87,-0.1 -0.751 32.8 158.1 -89.3 100.9 23.1 33.1 4.1 87 87 A I + 0 0 2 -2,-1.0 -1,-0.2 87,-0.7 88,-0.1 0.619 64.1 53.4-100.1 -11.2 24.6 32.6 0.7 88 88 A N S S- 0 0 0 86,-0.4 57,-1.9 1,-0.1 2,-0.3 0.826 107.7 -1.1 -94.5 -31.6 22.0 34.5 -1.4 89 89 A H E -L 144 0E 2 55,-0.2 2,-0.2 -39,-0.1 55,-0.2 -0.888 45.9-131.3-155.0 176.1 21.6 37.9 0.0 90 90 A M E -L 143 0E 0 53,-1.8 53,-0.7 -2,-0.3 -37,-0.2 -0.729 57.2 -57.6-124.6 174.2 22.3 40.8 2.4 91 91 A A - 0 0 2 -39,-2.6 52,-0.5 -2,-0.2 -1,-0.2 -0.058 52.5-119.2 -54.1 152.2 19.9 43.1 4.4 92 92 A A S S- 0 0 30 50,-0.2 50,-0.1 48,-0.1 -1,-0.1 -0.538 71.2 -10.7 -90.8 158.5 17.3 45.2 2.6 93 93 A G S S- 0 0 56 48,-0.4 13,-0.5 -2,-0.2 12,-0.5 -0.215 98.8 -54.7 59.7-136.9 17.3 49.0 2.8 94 94 A S S S+ 0 0 90 10,-0.2 2,-0.3 11,-0.1 10,-0.3 -0.919 70.2 96.9-139.9 164.4 19.5 50.8 5.3 95 95 A G E -M 103 0F 33 8,-2.1 8,-1.8 -2,-0.3 2,-0.3 -0.993 61.1 -52.0 157.5-149.1 20.2 50.7 9.1 96 96 A T E -M 102 0F 65 -2,-0.3 -54,-1.3 6,-0.2 6,-0.2 -0.967 39.2-134.8-132.4 147.6 22.5 49.3 11.7 97 97 A G B > -J 41 0C 4 4,-2.9 3,-2.1 -2,-0.3 -56,-0.2 -0.494 32.4-100.5 -98.3 170.9 23.8 45.8 12.6 98 98 A T T 3 S+ 0 0 39 -58,-2.0 -57,-0.1 1,-0.3 -1,-0.1 0.505 122.5 49.9 -67.3 -5.0 24.2 43.9 15.9 99 99 A A T 3 S- 0 0 33 -59,-0.2 -1,-0.3 2,-0.1 -40,-0.1 0.187 124.2 -98.4-116.4 11.4 27.9 44.7 15.9 100 100 A G S < S+ 0 0 53 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.263 76.2 140.5 92.7 -11.4 27.5 48.4 15.3 101 101 A N - 0 0 44 -5,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.353 41.7-141.5 -68.2 141.8 28.2 48.4 11.5 102 102 A S E +M 96 0F 86 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.728 22.2 175.3-100.5 155.9 26.1 50.7 9.3 103 103 A F E +M 95 0F 18 -8,-1.8 -8,-2.1 -2,-0.3 2,-0.2 -0.957 6.5 151.7-152.3 163.9 24.8 49.8 5.9 104 104 A G B > +N 107 0G 13 3,-1.9 3,-0.9 -2,-0.3 -10,-0.2 -0.714 57.7 23.2 167.9 144.4 22.5 51.3 3.2 105 105 A N T 3 S- 0 0 141 -12,-0.5 -11,-0.1 1,-0.3 3,-0.1 0.946 130.0 -54.5 53.0 52.8 21.9 51.4 -0.5 106 106 A K T 3 S+ 0 0 39 -13,-0.5 2,-0.6 1,-0.2 -1,-0.3 0.721 110.2 128.7 55.3 23.6 23.5 48.0 -1.1 107 107 A S B < +N 104 0G 62 -3,-0.9 -3,-1.9 5,-0.1 5,-0.2 -0.949 29.6 163.2-112.8 112.6 26.6 49.4 0.6 108 108 A F - 0 0 14 3,-2.9 3,-0.2 -2,-0.6 -5,-0.1 -0.746 54.1 -98.8-120.9 169.1 27.9 47.1 3.4 109 109 A P S S+ 0 0 62 0, 0.0 -55,-0.1 0, 0.0 3,-0.1 0.818 124.9 26.5 -62.2 -23.2 31.2 46.8 5.3 110 110 A I S S+ 0 0 46 -57,-0.4 2,-0.3 1,-0.1 -56,-0.1 0.451 121.4 52.2-116.4 -4.6 32.2 43.9 3.0 111 111 A Y - 0 0 6 -3,-0.2 -3,-2.9 34,-0.0 -1,-0.1 -0.988 59.3-155.0-137.0 148.7 30.2 44.6 -0.2 112 112 A S > - 0 0 41 -2,-0.3 3,-2.0 -5,-0.2 -5,-0.1 -0.608 43.4 -96.6-109.8 168.6 29.7 47.5 -2.6 113 113 A P G > S+ 0 0 55 0, 0.0 3,-1.3 0, 0.0 -6,-0.1 0.824 123.2 63.9 -58.4 -26.4 26.7 48.0 -4.8 114 114 A Q G 3 S+ 0 0 150 1,-0.3 4,-0.1 4,-0.0 -8,-0.0 0.561 89.1 67.3 -74.7 -8.1 28.7 46.4 -7.6 115 115 A D G < S+ 0 0 24 -3,-2.0 31,-2.9 -9,-0.2 2,-0.3 0.330 95.1 70.7 -93.3 7.8 28.8 43.1 -5.7 116 116 A F B < S-O 145 0H 13 -3,-1.3 29,-0.2 29,-0.3 2,-0.1 -0.820 89.0-102.4-122.2 158.9 25.0 42.6 -6.2 117 117 A H - 0 0 25 27,-3.0 27,-0.3 -2,-0.3 3,-0.1 -0.443 54.4 -87.1 -74.2 154.6 22.8 41.9 -9.1 118 118 A E - 0 0 179 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 -0.401 60.8 -91.3 -62.7 136.4 20.9 44.8 -10.5 119 119 A S + 0 0 69 18,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.258 62.3 142.1 -58.8 134.2 17.6 45.2 -8.5 120 120 A b - 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