==== 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 30-JUL-97 1AQH . 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) . 16365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 66.3 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 . 55 12.3 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 . 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 . 34 7.6 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 . 84 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 . 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 2 3 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 . 3 3 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 0 118 0, 0.0 2,-0.3 0, 0.0 351,-0.1 0.000 360.0 360.0 360.0 131.2 25.1 5.8 16.6 2 2 A P + 0 0 90 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.513 360.0 145.6 -69.6 126.4 24.3 9.5 15.8 3 3 A T + 0 0 13 25,-0.4 2,-0.4 -2,-0.3 26,-0.1 0.494 51.9 55.4-137.4 -14.5 21.4 9.7 13.3 4 4 A T - 0 0 0 24,-0.4 26,-3.3 294,-0.1 27,-0.6 -0.973 54.3-167.3-131.7 140.0 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 -0.649 14.2-137.2-116.8 176.4 20.0 16.5 14.7 6 6 A V E -ab 32 301A 0 25,-1.8 27,-3.0 294,-0.3 2,-0.8 -0.989 9.2-134.0-139.4 147.3 17.9 19.4 16.2 7 7 A H E -ab 33 302A 0 294,-2.6 2,-1.8 -2,-0.3 296,-1.0 -0.875 14.4-165.6-100.9 102.3 17.1 23.0 15.3 8 8 A L E > - b 0 303A 1 25,-1.4 3,-1.9 -2,-0.8 27,-0.4 -0.588 23.1-153.1 -88.0 74.0 17.4 25.1 18.5 9 9 A F T 3 - 0 0 1 -2,-1.8 25,-0.1 294,-1.0 -2,-0.0 -0.301 67.5 -11.5 -55.7 115.7 15.6 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 0.639 91.6 150.2 66.2 17.3 16.5 31.3 18.5 11 11 A W < - 0 0 0 -3,-1.9 24,-0.4 1,-0.1 -1,-0.2 -0.663 44.8-125.4 -81.4 133.0 18.5 29.7 21.4 12 12 A N > - 0 0 45 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.318 26.6-103.8 -73.1 164.1 21.4 31.9 22.7 13 13 A W H > S+ 0 0 2 48,-2.2 4,-2.0 1,-0.2 5,-0.1 0.768 117.9 53.8 -63.0 -27.9 24.9 30.4 22.8 14 14 A Q H > S+ 0 0 108 47,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.919 109.3 47.3 -73.3 -41.6 24.9 29.9 26.6 15 15 A D H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.852 113.2 49.6 -65.6 -36.9 21.6 27.9 26.6 16 16 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.913 108.7 51.7 -69.1 -44.9 22.9 25.7 23.7 17 17 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.954 115.2 42.4 -56.3 -50.4 26.3 25.0 25.4 18 18 A Q H X S+ 0 0 56 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.894 111.3 55.2 -62.7 -42.9 24.4 23.9 28.6 19 19 A E H X>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 4,-1.9 0.873 105.8 52.8 -60.4 -35.8 21.8 21.9 26.6 20 20 A a H <>S+ 0 0 0 -4,-2.3 5,-2.1 3,-0.2 -1,-0.2 0.917 114.9 41.5 -63.6 -44.1 24.6 20.0 24.9 21 21 A E H <5S+ 0 0 82 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.941 122.8 34.4 -70.8 -50.1 26.1 19.0 28.3 22 22 A Q H <5S- 0 0 110 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.839 137.4 -3.4 -78.6 -32.7 23.0 18.2 30.3 23 23 A Y T X5S+ 0 0 28 -4,-1.9 4,-2.3 -5,-0.4 -3,-0.2 0.771 116.8 55.9-127.0 -60.4 20.8 16.7 27.6 24 24 A L H >XS+ 0 0 0 -5,-2.2 5,-2.1 1,-0.2 4,-0.5 0.874 112.4 43.7 -51.8 -46.6 21.7 16.5 23.8 25 25 A G H >4 S- 0 0 65 1,-0.1 3,-1.2 269,-0.1 4,-0.3 -0.229 72.1-127.2 -60.2 148.6 11.6 39.9 15.0 46 46 A W G > S+ 0 0 10 266,-1.2 3,-1.3 1,-0.2 -1,-0.1 0.848 105.9 62.7 -65.4 -35.2 13.0 36.4 14.5 47 47 A W G > S+ 0 0 83 265,-0.3 3,-1.2 1,-0.3 -1,-0.2 0.461 76.7 84.7 -71.4 -2.5 13.5 37.1 10.8 48 48 A T G X S+ 0 0 1 -3,-1.2 3,-1.4 1,-0.3 -7,-0.7 0.792 80.7 68.6 -67.4 -25.4 16.0 39.9 11.5 49 49 A R G < S+ 0 0 2 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.727 92.2 59.5 -62.5 -22.6 18.5 37.0 11.6 50 50 A Y G < S+ 0 0 22 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.176 89.8 74.9 -95.9 19.5 18.0 36.5 7.9 51 51 A Q S < S- 0 0 28 -3,-1.4 -10,-1.5 -10,-0.1 -1,-0.2 -0.832 75.4-155.7-130.8 87.7 19.2 40.0 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 24.7 177.6 -68.2 153.6 23.0 40.1 7.2 53 53 A V S S- 0 0 0 -14,-2.3 57,-0.4 1,-0.6 2,-0.3 0.593 71.9 -23.3-120.5 -36.8 25.1 43.3 7.7 54 54 A S - 0 0 3 -15,-1.1 -1,-0.6 2,-0.2 -15,-0.2 -0.885 62.7-102.2-160.7-177.4 28.6 41.6 8.0 55 55 A Y S S+ 0 0 33 -2,-0.3 2,-0.2 -17,-0.2 -15,-0.0 0.200 72.2 126.7-105.6 17.8 30.2 38.3 8.8 56 56 A E - 0 0 102 1,-0.1 2,-2.1 2,-0.1 -17,-1.2 -0.543 68.8-120.4 -74.4 136.9 31.3 39.3 12.3 57 57 A L S S+ 0 0 8 -2,-0.2 2,-0.4 -19,-0.2 10,-0.2 -0.353 75.2 115.1 -80.0 62.7 30.2 36.8 15.0 58 58 A Q + 0 0 74 -2,-2.1 -18,-0.4 5,-0.2 5,-0.2 -0.918 40.1 135.8-132.0 101.2 28.1 39.3 17.1 59 59 A S B > S-K 62 0D 10 3,-2.4 3,-1.1 -2,-0.4 -20,-0.1 -0.689 71.4 -79.7-135.5-171.6 24.4 38.5 17.0 60 60 A R T 3 S+ 0 0 79 1,-0.3 3,-0.1 -24,-0.2 -48,-0.1 0.776 125.3 60.7 -65.0 -25.3 21.3 38.2 19.1 61 61 A G T 3 S- 0 0 6 -25,-0.3 -48,-2.2 1,-0.3 -47,-0.4 0.713 120.5 -86.4 -75.7 -21.0 22.6 34.8 20.2 62 62 A G B < -K 59 0D 10 -3,-1.1 -3,-2.4 -50,-0.2 -1,-0.3 -0.899 51.3 -54.0 144.4-173.2 25.8 36.3 21.7 63 63 A N > - 0 0 60 -2,-0.3 4,-2.4 -5,-0.2 -5,-0.2 -0.388 54.4 -92.6 -97.4 177.0 29.3 37.4 21.0 64 64 A R H > S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.876 123.5 50.1 -54.9 -44.0 32.3 35.7 19.3 65 65 A A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 112.4 46.8 -63.6 -43.1 33.8 34.4 22.6 66 66 A Q H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 112.3 51.7 -66.9 -35.5 30.4 32.9 23.7 67 67 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 -10,-0.2 -2,-0.2 0.933 111.4 45.3 -65.9 -47.0 30.0 31.3 20.2 68 68 A I H X S+ 0 0 50 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.895 111.8 53.3 -63.6 -38.9 33.5 29.7 20.4 69 69 A D H X S+ 0 0 71 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.908 107.6 51.4 -61.9 -43.8 32.8 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 0.893 109.0 50.1 -60.7 -42.4 29.5 26.9 22.7 71 71 A V H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.903 112.8 47.3 -63.9 -41.5 31.3 25.0 19.9 72 72 A N H X S+ 0 0 91 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.936 114.3 44.6 -64.4 -50.9 34.0 23.7 22.3 73 73 A R H X S+ 0 0 68 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.911 114.9 47.4 -63.7 -43.3 31.5 22.5 25.0 74 74 A a H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.2 4,-0.4 0.932 112.0 51.7 -63.8 -42.5 29.1 20.9 22.6 75 75 A S H ><5S+ 0 0 60 -4,-2.1 3,-1.2 -5,-0.3 -1,-0.2 0.888 108.0 50.9 -59.6 -42.7 32.1 19.2 20.8 76 76 A A H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 109.4 51.9 -65.7 -30.5 33.4 17.8 24.2 77 77 A A T 3<5S- 0 0 33 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.482 124.1-108.0 -83.4 -5.1 29.9 16.5 24.8 78 78 A G T < 5S+ 0 0 57 -3,-1.2 2,-0.5 -4,-0.4 -3,-0.2 0.717 78.8 125.0 85.7 23.8 30.0 14.8 21.4 79 79 A V < - 0 0 1 -5,-2.8 -48,-0.3 -6,-0.1 -1,-0.2 -0.964 49.4-141.4-119.9 124.1 27.5 17.1 19.6 80 80 A D E -c 31 0A 57 -50,-2.4 -48,-2.1 -2,-0.5 2,-0.4 -0.289 10.5-131.3 -78.6 165.1 28.3 18.9 16.3 81 81 A I E -c 32 0A 4 86,-0.3 88,-1.4 -50,-0.2 89,-1.3 -0.969 14.0-164.9-119.2 130.0 27.3 22.5 15.4 82 82 A Y E -cd 33 170A 7 -50,-2.8 -48,-2.3 -2,-0.4 2,-0.5 -0.984 15.8-144.5-112.8 126.6 25.7 23.3 12.0 83 83 A V E -cd 34 171A 0 87,-2.7 89,-2.3 -2,-0.5 2,-0.7 -0.821 12.0-128.3 -99.7 128.5 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 -0.631 34.9-162.9 -72.9 110.8 22.8 28.6 9.1 85 85 A T E - d 0 173A 1 87,-3.1 89,-2.7 -2,-0.7 2,-1.1 -0.882 16.6-144.1-107.2 125.9 24.7 30.4 6.3 86 86 A L E + d 0 174A 4 -2,-0.5 89,-0.1 87,-0.2 87,-0.1 -0.744 32.3 158.8 -90.2 96.7 23.2 33.2 4.2 87 87 A I + 0 0 3 -2,-1.1 -1,-0.2 87,-0.7 88,-0.1 0.626 65.5 52.8 -94.5 -11.3 24.7 32.7 0.7 88 88 A N S S+ 0 0 1 86,-0.4 57,-1.8 1,-0.1 2,-0.3 0.841 107.4 0.2 -94.8 -34.7 22.1 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 -0.870 45.3-133.6-151.0 178.1 21.7 38.0 0.1 90 90 A M E -L 143 0E 0 53,-1.6 53,-0.8 -2,-0.3 -37,-0.2 -0.722 56.3 -58.3-126.4 175.5 22.4 40.9 2.5 91 91 A A - 0 0 2 -39,-2.5 52,-0.4 -2,-0.2 2,-0.2 -0.076 51.5-117.5 -57.8 155.1 20.0 43.2 4.4 92 92 A A S S- 0 0 32 50,-0.1 50,-0.1 48,-0.1 -1,-0.1 -0.551 71.6 -14.5 -91.3 155.6 17.3 45.4 2.7 93 93 A G S S- 0 0 56 48,-0.4 12,-0.6 -2,-0.2 13,-0.4 -0.260 98.4 -58.0 59.1-128.0 17.3 49.2 2.9 94 94 A S E +M 104 0F 89 10,-0.2 2,-0.3 11,-0.1 10,-0.2 -0.956 67.0 98.5-151.0 167.6 19.5 50.8 5.6 95 95 A G E -M 103 0F 33 8,-1.9 8,-1.7 -2,-0.3 2,-0.3 -0.997 61.9 -48.9 153.5-150.4 20.2 50.9 9.3 96 96 A T E -M 102 0F 64 -2,-0.3 -54,-1.4 6,-0.2 6,-0.2 -0.908 40.6-136.3-126.2 150.4 22.6 49.5 11.9 97 97 A G B > -J 41 0C 4 4,-2.5 3,-1.9 -2,-0.3 -56,-0.2 -0.513 33.8 -97.9-100.0 173.2 23.8 46.0 12.7 98 98 A T T 3 S+ 0 0 42 -58,-2.0 -57,-0.1 1,-0.3 -1,-0.0 0.449 122.9 49.5 -70.0 -2.1 24.2 44.1 16.0 99 99 A A T 3 S- 0 0 33 2,-0.2 -1,-0.3 -59,-0.1 -40,-0.1 0.174 124.4 -98.1-117.7 9.9 28.0 44.8 16.0 100 100 A G S < S+ 0 0 51 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.293 76.2 141.1 93.1 -9.4 27.6 48.6 15.3 101 101 A N - 0 0 45 -5,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.400 41.0-140.7 -71.6 141.2 28.2 48.5 11.6 102 102 A S E +M 96 0F 87 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.658 21.7 175.8 -98.7 157.6 26.1 50.8 9.3 103 103 A F E +M 95 0F 17 -8,-1.7 -8,-1.9 -2,-0.2 2,-0.2 -0.969 7.1 149.6-154.3 162.1 24.8 49.9 5.9 104 104 A G E > +MN 94 107F 15 3,-1.7 3,-0.7 -2,-0.3 -10,-0.2 -0.716 57.7 22.9 167.8 144.6 22.6 51.4 3.2 105 105 A N T 3 S- 0 0 144 -12,-0.6 -11,-0.1 1,-0.2 3,-0.1 0.939 130.0 -52.7 52.7 53.9 21.9 51.6 -0.5 106 106 A K T 3 S+ 0 0 40 -13,-0.4 2,-0.5 1,-0.2 9,-0.3 0.723 111.0 127.2 55.8 25.7 23.6 48.2 -1.2 107 107 A S B < +N 104 0F 62 -3,-0.7 -3,-1.7 5,-0.1 5,-0.2 -0.956 29.1 161.8-117.5 116.7 26.7 49.4 0.7 108 108 A F - 0 0 16 3,-2.8 3,-0.2 -2,-0.5 -5,-0.1 -0.720 54.6 -97.7-124.9 171.3 28.0 47.2 3.5 109 109 A P S S+ 0 0 65 0, 0.0 -55,-0.1 0, 0.0 3,-0.1 0.830 125.4 26.1 -63.2 -24.9 31.3 46.9 5.3 110 110 A I S S+ 0 0 46 -57,-0.4 2,-0.3 1,-0.1 -56,-0.1 0.401 121.0 52.9-117.0 -0.2 32.3 44.0 3.1 111 111 A Y - 0 0 7 -3,-0.2 -3,-2.8 34,-0.0 -1,-0.1 -0.998 59.0-154.5-140.3 146.8 30.3 44.6 -0.1 112 112 A S > - 0 0 42 -2,-0.3 3,-2.2 -5,-0.2 -5,-0.1 -0.609 42.9 -97.1-108.9 167.5 29.8 47.5 -2.6 113 113 A P G > S+ 0 0 57 0, 0.0 3,-1.1 0, 0.0 -6,-0.1 0.805 123.1 62.5 -57.4 -24.9 26.8 48.1 -4.8 114 114 A Q G 3 S+ 0 0 150 1,-0.3 4,-0.1 4,-0.0 -8,-0.0 0.475 88.8 69.5 -79.5 -3.0 28.7 46.4 -7.7 115 115 A D G < S+ 0 0 24 -3,-2.2 31,-2.7 -9,-0.3 2,-0.3 0.288 94.8 67.4 -96.7 9.2 28.8 43.2 -5.7 116 116 A F B < S-O 145 0G 13 -3,-1.1 29,-0.3 29,-0.3 2,-0.1 -0.852 89.0-103.1-125.1 161.1 25.1 42.7 -6.2 117 117 A H - 0 0 27 27,-2.9 27,-0.3 -2,-0.3 3,-0.1 -0.468 54.5 -86.1 -76.6 156.6 22.9 42.0 -9.2 118 118 A E - 0 0 86 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.329 60.3 -89.5 -62.3 144.1 20.9 44.9 -10.5 119 119 A S + 0 0 80 18,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.365 62.3 141.1 -67.5 131.9 17.6 45.3 -8.6 120 120 A b - 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