==== 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 10-NOV-98 1B0I . COMPND 2 MOLECULE: PROTEIN (ALPHA-AMYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR N.AGHAJARI,R.HASER . 447 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 66.2 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 . 53 11.9 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 . 56 12.5 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 0 1 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 . 10 2 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 . 3 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 0 118 0, 0.0 2,-0.2 0, 0.0 351,-0.1 0.000 360.0 360.0 360.0 128.2 34.2 15.4 13.2 2 2 A P + 0 0 86 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.501 360.0 152.2 -68.3 134.8 30.5 14.7 12.1 3 3 A T + 0 0 12 25,-0.6 2,-0.3 1,-0.2 26,-0.1 0.527 47.9 58.6-141.0 -13.5 28.9 12.0 14.3 4 4 A T - 0 0 0 24,-0.4 26,-2.7 294,-0.1 27,-0.7 -0.941 53.2-162.8-129.3 142.7 25.1 12.5 14.4 5 5 A F E -ab 31 300A 0 294,-2.2 296,-2.8 -2,-0.3 2,-0.3 -0.696 13.1-139.5-115.6 174.1 22.3 12.6 11.8 6 6 A V E -ab 32 301A 0 25,-1.8 27,-2.9 294,-0.3 2,-0.8 -0.985 9.6-134.7-136.4 149.5 18.7 13.9 12.0 7 7 A H E -ab 33 302A 0 294,-2.6 2,-1.6 -2,-0.3 296,-1.6 -0.899 14.0-163.5-102.8 103.8 15.3 12.8 10.8 8 8 A L E > - b 0 303A 0 25,-1.6 3,-1.8 -2,-0.8 27,-0.5 -0.652 23.3-151.1 -87.1 76.4 13.6 15.8 9.2 9 9 A F T 3 - 0 0 1 -2,-1.6 3,-0.1 294,-1.2 25,-0.1 -0.351 68.5 -11.9 -57.8 116.9 10.2 14.1 9.4 10 10 A E T 3 S+ 0 0 15 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.680 91.2 151.9 63.0 22.5 7.8 15.3 6.6 11 11 A W < - 0 0 0 -3,-1.8 24,-0.4 1,-0.1 -1,-0.2 -0.698 44.0-127.2 -82.2 129.5 10.1 18.2 5.7 12 12 A N > - 0 0 49 -2,-0.4 4,-2.0 -3,-0.1 5,-0.2 -0.261 27.0-103.6 -69.1 167.7 9.6 19.2 2.0 13 13 A W H > S+ 0 0 3 48,-2.1 4,-2.5 1,-0.2 5,-0.2 0.849 118.0 54.3 -66.2 -36.1 12.8 19.3 -0.1 14 14 A Q H > S+ 0 0 106 47,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.890 111.4 47.1 -66.0 -34.7 13.1 23.2 -0.3 15 15 A D H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.888 112.1 48.5 -71.9 -40.8 13.0 23.3 3.6 16 16 A V H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.936 111.3 52.3 -63.2 -44.5 15.6 20.5 3.9 17 17 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.908 112.5 43.2 -55.8 -51.0 17.8 22.3 1.4 18 18 A Q H X S+ 0 0 59 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.884 111.1 55.2 -64.5 -41.0 17.7 25.6 3.3 19 19 A E H X>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 4,-1.5 0.853 104.8 54.5 -60.7 -37.6 18.2 23.8 6.6 20 20 A a H <>S+ 0 0 0 -4,-2.2 5,-2.4 3,-0.2 -1,-0.2 0.903 112.3 43.3 -62.4 -43.7 21.4 22.2 5.3 21 21 A E H <5S+ 0 0 80 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.942 123.9 29.4 -71.5 -51.2 22.9 25.5 4.3 22 22 A Q H <5S+ 0 0 106 -4,-2.3 -2,-0.2 3,-0.1 -3,-0.2 0.578 137.5 5.1 -92.1 -4.8 22.1 27.8 7.3 23 23 A Y T X5S+ 0 0 26 -4,-1.5 4,-2.2 -5,-0.3 -3,-0.2 0.600 120.2 47.6-138.8 -63.2 22.0 25.3 10.1 24 24 A L H >XS+ 0 0 0 -5,-2.6 5,-2.0 2,-0.2 4,-1.1 0.904 115.1 46.4 -57.3 -43.9 22.9 21.6 9.7 25 25 A G H >4 S- 0 0 62 268,-0.1 3,-1.3 1,-0.1 268,-0.2 -0.461 72.2-127.1 -71.3 146.0 -1.8 11.4 6.6 46 46 A W G > S+ 0 0 24 266,-1.3 3,-1.6 267,-0.5 4,-0.2 0.861 104.1 64.0 -59.6 -40.5 1.9 10.9 7.3 47 47 A W G > S+ 0 0 79 265,-0.4 3,-1.3 1,-0.3 -1,-0.2 0.517 78.2 84.4 -66.6 -5.0 1.7 7.1 6.8 48 48 A T G X S+ 0 0 0 -3,-1.3 3,-1.5 1,-0.3 -7,-0.7 0.759 79.1 67.4 -68.4 -22.4 0.8 7.5 3.1 49 49 A R G < S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.645 93.3 60.2 -70.4 -16.0 4.5 7.8 2.4 50 50 A Y G < S+ 0 0 20 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.194 90.1 74.6 -99.2 18.7 4.8 4.1 3.5 51 51 A Q S < S- 0 0 29 -3,-1.5 -10,-1.7 -10,-0.1 -1,-0.2 -0.774 75.6-158.0-128.8 83.2 2.5 2.9 0.7 52 52 A P B +I 40 0B 0 0, 0.0 39,-2.5 0, 0.0 -12,-0.3 -0.261 24.6 177.6 -66.4 146.1 4.4 3.1 -2.6 53 53 A V S S- 0 0 0 -14,-2.6 57,-0.3 1,-0.5 2,-0.3 0.659 71.4 -24.6-113.0 -38.9 2.8 3.3 -6.1 54 54 A S - 0 0 2 -15,-1.3 -1,-0.5 2,-0.2 -15,-0.2 -0.915 60.5-101.4-160.7-178.7 6.0 3.5 -8.1 55 55 A Y S S+ 0 0 31 -2,-0.3 2,-0.2 -17,-0.2 -15,-0.0 0.319 73.8 123.8 -98.8 9.9 9.7 4.5 -7.9 56 56 A E S S- 0 0 103 1,-0.1 2,-2.1 2,-0.1 -17,-1.6 -0.470 71.0-119.1 -69.8 137.4 9.2 7.9 -9.7 57 57 A L S S+ 0 0 10 -19,-0.2 2,-0.4 -2,-0.2 10,-0.2 -0.349 74.6 116.8 -80.2 63.4 10.4 10.8 -7.6 58 58 A Q + 0 0 81 -2,-2.1 -18,-0.4 5,-0.2 5,-0.2 -0.915 38.4 134.7-132.3 101.6 7.1 12.6 -7.3 59 59 A S B > S-K 62 0D 9 3,-2.7 3,-1.0 -2,-0.4 -20,-0.1 -0.679 71.2 -80.9-135.7-173.6 5.9 12.9 -3.7 60 60 A R T 3 S+ 0 0 78 1,-0.3 3,-0.1 -24,-0.2 -48,-0.1 0.723 125.6 60.4 -65.0 -23.7 4.4 15.2 -1.0 61 61 A G T 3 S- 0 0 7 1,-0.3 -48,-2.1 -25,-0.3 -47,-0.4 0.720 121.6 -88.0 -77.7 -22.3 8.0 16.4 -0.5 62 62 A G B < -K 59 0D 12 -3,-1.0 -3,-2.7 -50,-0.2 -1,-0.3 -0.913 49.7 -57.8 144.6-169.1 8.3 17.7 -4.1 63 63 A N > - 0 0 57 -2,-0.3 4,-2.2 -5,-0.2 3,-0.3 -0.386 56.0 -87.9-102.7-179.4 9.3 16.5 -7.6 64 64 A R H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.828 124.8 50.4 -57.4 -37.8 12.5 15.1 -9.2 65 65 A A H > S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.848 112.3 46.5 -70.8 -37.4 14.0 18.5 -9.9 66 66 A Q H > S+ 0 0 66 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.842 111.7 51.8 -72.4 -34.5 13.4 19.7 -6.4 67 67 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 -10,-0.2 -2,-0.2 0.943 111.8 46.1 -66.6 -47.4 14.8 16.5 -4.9 68 68 A I H X S+ 0 0 51 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.845 108.9 56.0 -64.6 -35.6 17.9 16.8 -7.0 69 69 A D H X S+ 0 0 66 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.934 108.6 48.6 -61.7 -44.4 18.2 20.5 -6.0 70 70 A M H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.897 109.8 49.4 -62.5 -45.8 18.2 19.4 -2.3 71 71 A V H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.899 112.9 49.1 -64.3 -33.7 20.8 16.8 -2.7 72 72 A N H X S+ 0 0 98 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.916 115.1 43.2 -68.5 -46.5 23.1 19.3 -4.6 73 73 A R H X S+ 0 0 65 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.913 114.5 47.9 -68.3 -44.0 22.7 22.0 -2.0 74 74 A a H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-0.5 0.907 111.3 51.7 -63.7 -42.7 23.1 19.8 1.1 75 75 A S H ><5S+ 0 0 74 -4,-1.8 3,-1.4 -5,-0.3 -1,-0.2 0.890 106.5 52.7 -61.5 -39.8 26.2 18.1 -0.4 76 76 A A H 3<5S+ 0 0 90 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.742 109.6 51.7 -66.2 -24.5 27.8 21.5 -1.0 77 77 A A T <<5S- 0 0 31 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.420 124.0-106.9 -90.0 -4.2 27.1 22.3 2.6 78 78 A G T < 5S+ 0 0 57 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.2 0.627 78.9 125.8 87.7 18.4 28.7 19.0 3.7 79 79 A V < - 0 0 1 -5,-2.7 -48,-0.2 -6,-0.1 -1,-0.2 -0.934 48.6-143.5-116.9 124.1 25.6 17.1 4.6 80 80 A D E -c 31 0A 58 -50,-2.0 -48,-2.1 -2,-0.5 2,-0.4 -0.380 11.3-133.1 -79.1 157.9 24.6 13.7 3.2 81 81 A I E -c 32 0A 3 86,-0.3 89,-1.5 -50,-0.2 88,-1.4 -0.940 12.9-164.3-114.6 130.1 21.1 12.5 2.4 82 82 A Y E -cd 33 170A 7 -50,-2.5 -48,-2.2 -2,-0.4 2,-0.4 -0.992 16.4-144.3-112.6 122.2 19.8 9.1 3.5 83 83 A V E -cd 34 171A 0 87,-2.2 89,-2.5 -2,-0.5 2,-0.8 -0.768 13.2-125.8 -93.4 130.8 16.6 8.1 1.7 84 84 A D E - d 0 172A 0 -50,-0.9 2,-0.5 -2,-0.4 89,-0.2 -0.661 36.8-160.1 -74.5 110.5 13.9 6.1 3.5 85 85 A T E - d 0 173A 0 87,-3.1 89,-2.1 -2,-0.8 2,-1.0 -0.867 16.2-145.3-105.1 125.6 13.6 3.1 1.1 86 86 A L E + d 0 174A 4 -2,-0.5 89,-0.1 1,-0.2 87,-0.1 -0.720 33.7 154.7 -90.4 98.7 10.6 0.7 1.0 87 87 A I + 0 0 2 -2,-1.0 -1,-0.2 87,-0.6 88,-0.1 0.580 65.1 55.5-100.4 -9.2 11.9 -2.8 0.2 88 88 A N S S- 0 0 1 86,-0.3 57,-1.8 1,-0.1 2,-0.3 0.808 107.9 -9.4 -96.9 -28.8 9.1 -4.9 1.7 89 89 A H E -L 144 0E 2 55,-0.2 2,-0.2 57,-0.1 55,-0.2 -0.925 45.5-127.3-160.0 177.8 5.9 -3.8 0.1 90 90 A M E -L 143 0E 0 53,-1.7 53,-0.5 -2,-0.3 -37,-0.2 -0.742 56.7 -59.9-125.7 174.7 3.6 -1.6 -2.1 91 91 A A - 0 0 2 -39,-2.5 52,-0.7 -2,-0.2 2,-0.3 0.022 52.4-114.1 -55.3 160.5 0.3 0.1 -1.3 92 92 A A S S- 0 0 33 50,-0.2 50,-0.1 48,-0.1 2,-0.1 -0.739 71.5 -12.6 -99.0 146.4 -2.8 -1.7 -0.2 93 93 A G S S- 0 0 50 48,-0.4 13,-0.4 -2,-0.3 2,-0.3 -0.381 99.1 -48.7 71.8-142.1 -6.0 -1.9 -2.2 94 94 A S S S+ 0 0 84 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.960 71.8 100.6-134.7 149.8 -6.6 0.4 -5.2 95 95 A G E -M 103 0F 30 8,-1.5 8,-1.7 -2,-0.3 2,-0.3 -0.966 59.0 -53.9 174.1-154.3 -6.2 4.1 -5.8 96 96 A T E -M 102 0F 73 -2,-0.3 -54,-1.4 6,-0.2 2,-0.2 -0.878 37.7-143.6-120.4 150.1 -4.2 6.9 -7.2 97 97 A G B > -J 41 0C 3 4,-1.9 3,-1.6 -2,-0.3 -56,-0.2 -0.656 33.1-100.1-107.3 169.2 -0.6 7.9 -6.6 98 98 A T T 3 S+ 0 0 47 -58,-2.2 -57,-0.1 1,-0.3 -39,-0.1 0.592 120.4 51.0 -66.4 -12.9 1.0 11.3 -6.3 99 99 A A T 3 S- 0 0 35 -59,-0.2 -1,-0.3 2,-0.1 -40,-0.1 0.395 124.4 -96.1-103.7 -0.2 2.3 11.2 -9.9 100 100 A G S < S+ 0 0 59 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.274 78.8 137.5 105.1 -8.7 -1.0 10.3 -11.5 101 101 A N - 0 0 45 -5,-0.1 -4,-1.9 1,-0.0 -1,-0.3 -0.440 40.5-148.4 -76.0 136.6 -0.5 6.5 -11.6 102 102 A S E +M 96 0F 90 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.696 17.9 177.7-101.4 157.7 -3.4 4.3 -10.7 103 103 A F E +M 95 0F 18 -8,-1.7 -8,-1.5 -2,-0.3 2,-0.2 -0.931 3.8 165.8-147.4 170.7 -3.0 0.8 -9.1 104 104 A G B > +N 107 0G 12 3,-1.6 3,-1.3 -2,-0.3 -10,-0.2 -0.785 55.7 9.3 171.7 143.6 -5.2 -1.9 -7.8 105 105 A N T 3 S- 0 0 135 1,-0.3 -11,-0.1 -2,-0.2 3,-0.1 0.892 129.4 -47.1 42.6 59.3 -5.4 -5.6 -6.7 106 106 A K T 3 S+ 0 0 40 -13,-0.4 2,-0.5 -15,-0.2 -1,-0.3 0.698 111.2 124.0 58.8 25.9 -1.6 -6.1 -6.7 107 107 A S B < +N 104 0G 63 -3,-1.3 -3,-1.6 5,-0.2 5,-0.2 -0.952 31.7 162.2-121.5 111.8 -1.2 -4.5 -10.2 108 108 A F - 0 0 17 3,-3.0 3,-0.3 -2,-0.5 -5,-0.1 -0.718 53.6 -99.6-122.2 170.5 1.2 -1.5 -10.4 109 109 A P S S+ 0 0 61 0, 0.0 -55,-0.1 0, 0.0 3,-0.1 0.691 124.6 25.1 -66.5 -12.6 3.0 0.4 -13.1 110 110 A I S S+ 0 0 46 -57,-0.3 2,-0.3 1,-0.2 -56,-0.1 0.385 123.8 46.4-128.9 -0.1 6.2 -1.6 -12.4 111 111 A Y - 0 0 7 -3,-0.3 -3,-3.0 3,-0.0 -1,-0.2 -0.994 59.1-158.3-144.8 147.8 4.9 -4.9 -10.8 112 112 A S > - 0 0 46 -2,-0.3 3,-2.5 -5,-0.2 4,-0.2 -0.709 46.4 -85.4-119.4 168.6 2.1 -7.4 -11.6 113 113 A P G > S+ 0 0 73 0, 0.0 3,-1.5 0, 0.0 -6,-0.1 0.781 122.6 63.6 -45.2 -35.6 0.4 -9.9 -9.3 114 114 A Q G 3 S+ 0 0 159 1,-0.3 4,-0.1 4,-0.0 -8,-0.0 0.614 89.5 69.0 -67.6 -13.6 3.1 -12.5 -9.7 115 115 A D G < S+ 0 0 8 -3,-2.5 31,-2.9 -9,-0.2 2,-0.3 0.424 93.7 70.8 -86.4 2.1 5.7 -10.3 -8.1 116 116 A F B < S-O 145 0H 13 -3,-1.5 29,-0.2 29,-0.3 2,-0.1 -0.773 87.8-103.9-118.5 160.9 4.0 -10.6 -4.7 117 117 A H - 0 0 25 27,-2.6 27,-0.2 -2,-0.3 2,-0.1 -0.395 54.6 -87.4 -75.7 156.8 3.7 -13.3 -2.2 118 118 A E - 0 0 176 1,-0.1 -1,-0.1 -2,-0.1 26,-0.0 -0.465 61.3 -87.4 -66.0 140.1 0.3 -15.0 -2.0 119 119 A S + 0 0 72 -2,-0.1 2,-0.3 18,-0.1 -1,-0.1 -0.218 63.3 140.8 -57.2 137.8 -2.0 -13.1 0.3 120 120 A b - 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