==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-NOV-00 1G9H . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR N.AGHAJARI,M.ROTH,R.HASER . 448 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 66.5 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 . 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 . 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 1 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 0 116 0, 0.0 351,-0.1 0, 0.0 352,-0.1 0.000 360.0 360.0 360.0 150.6 25.2 5.8 16.7 2 2 A P + 0 0 92 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.297 360.0 143.6 -59.2 131.5 24.3 9.4 15.7 3 3 A T + 0 0 13 25,-0.5 2,-0.4 1,-0.3 26,-0.1 0.459 53.6 56.5-143.8 -15.0 21.3 9.7 13.2 4 4 A T - 0 0 0 24,-0.4 26,-3.0 294,-0.1 27,-0.6 -0.979 53.3-165.7-132.8 138.9 19.3 12.8 14.1 5 5 A F E -ab 31 300A 0 294,-2.3 296,-2.7 -2,-0.4 2,-0.3 -0.636 13.2-139.3-114.1 176.1 20.0 16.5 14.5 6 6 A V E -ab 32 301A 0 25,-1.6 27,-3.0 294,-0.3 2,-0.8 -0.984 9.5-134.8-139.4 144.7 17.9 19.3 16.0 7 7 A H E -ab 33 302A 1 294,-2.5 2,-1.7 -2,-0.3 296,-1.2 -0.895 13.5-165.5-100.0 104.3 17.1 23.0 15.2 8 8 A L E > - b 0 303A 0 25,-1.3 3,-1.8 -2,-0.8 27,-0.4 -0.634 23.4-153.4 -88.3 74.7 17.5 25.0 18.4 9 9 A F T 3 - 0 0 0 -2,-1.7 3,-0.1 294,-1.2 25,-0.1 -0.349 67.8 -11.4 -58.1 116.6 15.6 28.0 16.8 10 10 A E T 3 S+ 0 0 12 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.636 92.1 149.5 66.4 16.5 16.6 31.3 18.3 11 11 A W < - 0 0 0 -3,-1.8 24,-0.3 1,-0.1 -1,-0.2 -0.663 45.7-124.3 -80.1 134.2 18.5 29.7 21.2 12 12 A N > - 0 0 42 -2,-0.3 4,-2.2 -3,-0.1 3,-0.2 -0.311 25.5-103.5 -74.7 164.9 21.4 31.8 22.4 13 13 A W H > S+ 0 0 2 48,-2.1 4,-2.0 1,-0.2 5,-0.1 0.785 119.1 51.9 -60.8 -31.9 25.0 30.3 22.6 14 14 A Q H > S+ 0 0 100 47,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.894 110.4 48.3 -72.7 -39.0 25.0 29.8 26.3 15 15 A D H > S+ 0 0 2 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.902 112.6 48.9 -66.8 -40.4 21.7 27.9 26.3 16 16 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.905 109.8 51.4 -65.3 -44.4 22.9 25.7 23.4 17 17 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.929 113.5 44.3 -60.0 -45.3 26.3 24.9 25.1 18 18 A Q H X S+ 0 0 53 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.895 111.7 53.7 -67.1 -37.9 24.4 23.9 28.3 19 19 A E H X>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-2.2 0.869 105.5 54.3 -65.3 -35.1 21.9 21.9 26.3 20 20 A a H <>S+ 0 0 0 -4,-2.2 5,-2.4 3,-0.2 -1,-0.2 0.936 115.0 39.4 -61.8 -47.2 24.7 20.0 24.6 21 21 A E H <5S+ 0 0 81 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 123.3 36.9 -70.4 -44.0 26.2 18.9 27.9 22 22 A Q H <5S- 0 0 112 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.799 136.4 -5.9 -84.9 -27.6 23.1 18.2 29.9 23 23 A Y T X5S+ 0 0 27 -4,-2.2 4,-2.6 -5,-0.3 -3,-0.2 0.720 118.8 55.2-134.5 -55.5 20.8 16.7 27.3 24 24 A L T 4XS+ 0 0 0 -5,-2.4 5,-2.3 2,-0.2 4,-0.5 0.895 112.3 45.7 -58.3 -44.7 21.7 16.5 23.6 25 25 A G T >4 S- 0 0 63 268,-0.1 3,-1.1 269,-0.1 268,-0.2 -0.168 74.5-125.6 -58.8 150.7 11.5 39.9 15.0 46 46 A W G > S+ 0 0 12 266,-1.3 3,-1.5 1,-0.2 4,-0.2 0.864 105.7 64.6 -66.6 -34.1 13.0 36.4 14.3 47 47 A W G > S+ 0 0 80 265,-0.4 3,-1.3 1,-0.3 -1,-0.2 0.521 76.1 84.4 -69.7 -4.5 13.5 37.2 10.6 48 48 A T G X S+ 0 0 1 -3,-1.1 3,-1.4 1,-0.2 -7,-0.7 0.777 80.3 68.4 -66.5 -23.1 16.1 40.0 11.4 49 49 A R G < S+ 0 0 2 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.706 92.9 59.0 -65.7 -23.2 18.6 37.0 11.5 50 50 A Y G < S+ 0 0 20 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.195 88.8 76.3 -95.5 16.7 18.1 36.6 7.8 51 51 A Q S < S- 0 0 34 -3,-1.4 -10,-1.6 -10,-0.1 -1,-0.2 -0.799 75.1-158.2-126.3 83.8 19.2 40.1 6.8 52 52 A P B +I 40 0B 0 0, 0.0 39,-2.8 0, 0.0 -12,-0.3 -0.296 23.6 178.6 -66.4 148.6 23.1 40.1 7.1 53 53 A V S S- 0 0 0 -14,-2.6 57,-0.4 1,-0.5 2,-0.3 0.662 71.5 -25.0-114.8 -39.5 25.1 43.3 7.6 54 54 A S - 0 0 2 -15,-1.2 -1,-0.5 2,-0.2 -15,-0.2 -0.882 63.3-100.2-158.0-175.3 28.6 41.6 7.8 55 55 A Y S S+ 0 0 31 -2,-0.3 2,-0.2 -17,-0.2 -15,-0.0 0.212 72.5 127.4-104.1 16.4 30.2 38.3 8.6 56 56 A E - 0 0 97 1,-0.1 2,-2.0 2,-0.1 -17,-1.3 -0.525 68.0-120.1 -73.4 139.0 31.4 39.3 12.1 57 57 A L S S+ 0 0 10 -19,-0.2 2,-0.5 -2,-0.2 10,-0.2 -0.322 76.1 112.0 -80.7 58.8 30.2 36.8 14.8 58 58 A Q + 0 0 84 -2,-2.0 -18,-0.4 5,-0.2 2,-0.2 -0.926 40.8 135.8-133.1 103.0 28.2 39.2 16.9 59 59 A S B > S-K 62 0D 12 3,-2.3 3,-1.3 -2,-0.5 -20,-0.1 -0.726 71.6 -78.4-135.7-174.4 24.5 38.5 16.8 60 60 A R T 3 S+ 0 0 77 1,-0.3 3,-0.1 -2,-0.2 -48,-0.1 0.776 126.1 60.9 -62.3 -25.6 21.4 38.1 18.9 61 61 A G T 3 S- 0 0 5 -25,-0.3 -48,-2.1 1,-0.3 -47,-0.4 0.736 121.2 -86.8 -74.0 -22.6 22.7 34.7 20.0 62 62 A G B < -K 59 0D 13 -3,-1.3 -3,-2.3 -50,-0.2 -1,-0.3 -0.857 50.6 -54.6 143.4-176.9 25.8 36.3 21.5 63 63 A N > - 0 0 57 -2,-0.3 4,-1.8 -5,-0.2 -5,-0.2 -0.245 57.1 -90.5 -89.1-179.1 29.4 37.4 20.7 64 64 A R H > S+ 0 0 130 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.834 123.0 51.7 -60.7 -39.9 32.3 35.6 19.1 65 65 A A H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 111.2 48.2 -66.9 -37.9 33.8 34.3 22.4 66 66 A Q H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.833 111.2 51.5 -70.7 -33.5 30.4 32.8 23.4 67 67 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 -10,-0.2 -2,-0.2 0.949 111.8 45.3 -67.8 -48.6 30.1 31.3 19.9 68 68 A I H X S+ 0 0 51 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 111.7 53.5 -60.4 -41.9 33.5 29.6 20.1 69 69 A D H X S+ 0 0 70 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.905 108.4 50.4 -59.3 -42.8 32.8 28.5 23.7 70 70 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.901 109.2 50.0 -63.3 -44.0 29.5 26.8 22.4 71 71 A V H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 114.4 45.2 -62.4 -43.3 31.3 25.0 19.6 72 72 A N H X S+ 0 0 88 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 114.6 46.4 -65.0 -48.8 34.0 23.6 22.0 73 73 A R H X S+ 0 0 63 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.857 115.4 46.2 -64.5 -37.4 31.5 22.6 24.7 74 74 A a H <>S+ 0 0 0 -4,-2.3 5,-2.9 -5,-0.2 4,-0.4 0.919 111.9 51.6 -71.0 -41.6 29.2 20.9 22.3 75 75 A S H ><5S+ 0 0 59 -4,-2.3 3,-1.2 -5,-0.3 -2,-0.2 0.897 107.7 51.5 -60.7 -42.1 32.1 19.2 20.6 76 76 A A H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.0 52.4 -65.5 -29.5 33.4 17.8 23.9 77 77 A A T 3<5S- 0 0 32 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.510 124.4-106.3 -83.0 -7.3 29.9 16.5 24.5 78 78 A G T < 5S+ 0 0 55 -3,-1.2 2,-0.5 -4,-0.4 -3,-0.2 0.577 80.4 124.7 91.6 14.7 29.9 14.7 21.2 79 79 A V < - 0 0 1 -5,-2.9 -1,-0.3 -6,-0.1 -48,-0.2 -0.920 48.7-144.7-114.2 125.6 27.5 17.1 19.4 80 80 A D E -c 31 0A 54 -50,-2.3 -48,-2.1 -2,-0.5 2,-0.4 -0.362 11.8-130.5 -81.5 162.6 28.4 19.0 16.1 81 81 A I E -c 32 0A 3 86,-0.3 89,-1.5 -50,-0.2 88,-1.5 -0.954 13.7-164.3-118.0 131.2 27.3 22.5 15.2 82 82 A Y E -cd 33 170A 8 -50,-3.0 -48,-2.4 -2,-0.4 2,-0.5 -0.983 16.4-144.0-113.2 124.6 25.7 23.3 11.8 83 83 A V E -cd 34 171A 0 87,-2.6 89,-2.4 -2,-0.5 2,-0.7 -0.808 13.0-127.0 -96.6 129.3 25.6 27.0 10.9 84 84 A D E - d 0 172A 0 -50,-0.9 2,-0.5 -2,-0.5 89,-0.2 -0.647 36.9-161.2 -71.9 111.2 22.7 28.6 9.1 85 85 A T E - d 0 173A 0 87,-3.2 89,-2.5 -2,-0.7 2,-1.0 -0.898 15.7-145.7-108.1 121.1 24.7 30.3 6.2 86 86 A L E + d 0 174A 3 -2,-0.5 89,-0.1 1,-0.2 87,-0.1 -0.716 32.2 157.4 -87.3 100.6 23.2 33.1 4.1 87 87 A I + 0 0 3 -2,-1.0 -1,-0.2 87,-0.7 88,-0.1 0.567 64.6 53.9-100.9 -6.5 24.7 32.6 0.6 88 88 A N S S- 0 0 1 86,-0.3 57,-1.6 1,-0.1 2,-0.3 0.830 106.7 -2.0 -99.9 -32.2 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 -0.866 45.9-130.5-152.8 178.5 21.7 38.0 -0.0 90 90 A M E -L 143 0E 0 53,-1.8 53,-0.8 -2,-0.3 -37,-0.2 -0.756 57.0 -58.1-126.8 173.5 22.5 40.9 2.4 91 91 A A - 0 0 2 -39,-2.8 52,-0.4 -2,-0.3 -1,-0.2 -0.042 51.6-117.8 -57.1 153.0 20.0 43.1 4.3 92 92 A A S S- 0 0 32 50,-0.2 50,-0.1 48,-0.1 -1,-0.1 -0.500 72.3 -9.3 -88.0 159.5 17.4 45.3 2.6 93 93 A G S S- 0 0 58 48,-0.4 13,-0.6 -2,-0.2 12,-0.4 -0.225 99.3 -60.7 58.6-132.7 17.2 49.1 2.9 94 94 A S + 0 0 87 10,-0.2 2,-0.3 11,-0.1 10,-0.3 -0.932 68.3 104.4-146.2 166.6 19.6 50.7 5.3 95 95 A G E -M 103 0F 36 8,-2.3 8,-1.9 -2,-0.3 2,-0.3 -0.993 58.8 -54.1 161.9-148.0 20.3 50.7 9.0 96 96 A T E -M 102 0F 62 -2,-0.3 -54,-1.3 6,-0.2 6,-0.2 -0.949 41.2-132.9-133.6 146.1 22.7 49.5 11.7 97 97 A G B > -J 41 0C 4 4,-3.0 3,-1.8 -2,-0.3 -56,-0.2 -0.505 29.4-103.0 -98.6 171.5 23.9 46.0 12.6 98 98 A T T 3 S+ 0 0 46 -58,-2.0 -57,-0.1 1,-0.3 -39,-0.1 0.586 121.8 49.7 -66.7 -12.4 24.2 44.0 15.8 99 99 A A T 3 S- 0 0 27 -59,-0.2 -1,-0.3 2,-0.1 -40,-0.1 0.198 125.6 -97.3-108.4 10.5 28.0 44.7 15.8 100 100 A G S < S+ 0 0 55 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.313 77.6 138.0 93.9 -8.2 27.7 48.4 15.3 101 101 A N - 0 0 45 -5,-0.1 -4,-3.0 1,-0.0 2,-0.3 -0.416 41.7-142.0 -74.5 146.7 28.3 48.5 11.5 102 102 A S E +M 96 0F 90 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.733 21.3 173.7-106.0 157.0 26.2 50.7 9.2 103 103 A F E +M 95 0F 16 -8,-1.9 -8,-2.3 -2,-0.3 2,-0.2 -0.966 6.8 148.9-153.7 162.7 24.9 49.9 5.7 104 104 A G B > +N 107 0G 12 3,-1.8 3,-1.0 -2,-0.3 -10,-0.2 -0.806 58.4 29.9 169.5 150.7 22.6 51.4 3.2 105 105 A N T 3 S- 0 0 152 -12,-0.4 -11,-0.1 1,-0.3 3,-0.1 0.895 130.3 -56.8 53.4 45.2 22.0 51.7 -0.6 106 106 A K T 3 S+ 0 0 39 -13,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.789 109.5 129.3 57.4 30.0 23.5 48.2 -1.1 107 107 A S B < +N 104 0G 61 -3,-1.0 -3,-1.8 5,-0.1 5,-0.2 -0.974 29.7 164.6-119.9 117.5 26.7 49.4 0.6 108 108 A F - 0 0 14 3,-3.0 3,-0.2 -2,-0.5 -5,-0.1 -0.764 53.6 -97.1-125.6 169.4 28.0 47.2 3.4 109 109 A P S S+ 0 0 64 0, 0.0 -55,-0.1 0, 0.0 -6,-0.1 0.846 126.5 23.1 -56.0 -32.8 31.3 46.9 5.3 110 110 A I S S+ 0 0 45 -57,-0.4 2,-0.3 1,-0.1 -56,-0.1 0.407 121.3 54.9-115.8 -1.7 32.3 44.0 3.0 111 111 A Y - 0 0 7 -3,-0.2 -3,-3.0 34,-0.0 -1,-0.1 -0.994 58.1-155.6-138.0 145.3 30.2 44.6 -0.2 112 112 A S > - 0 0 40 -2,-0.3 3,-2.1 -5,-0.2 -5,-0.1 -0.616 42.3 -98.3-108.4 167.7 29.8 47.5 -2.6 113 113 A P G > S+ 0 0 53 0, 0.0 3,-1.1 0, 0.0 -6,-0.1 0.790 122.6 63.9 -58.6 -24.3 26.7 48.1 -4.9 114 114 A Q G 3 S+ 0 0 148 1,-0.2 4,-0.1 4,-0.0 -8,-0.0 0.582 89.3 67.4 -76.3 -8.7 28.7 46.5 -7.7 115 115 A D G < S+ 0 0 25 -3,-2.1 31,-2.7 -9,-0.2 2,-0.3 0.269 94.7 71.0 -93.8 11.1 28.8 43.2 -5.9 116 116 A F B < S-O 145 0H 13 -3,-1.1 29,-0.2 29,-0.3 2,-0.1 -0.855 87.1-106.2-125.1 158.6 25.0 42.7 -6.3 117 117 A H - 0 0 30 27,-3.0 27,-0.2 -2,-0.3 3,-0.1 -0.469 55.1 -84.9 -76.2 155.0 22.7 42.0 -9.2 118 118 A E - 0 0 176 -2,-0.1 -1,-0.1 1,-0.1 20,-0.1 -0.376 60.1 -90.5 -62.4 139.9 20.6 44.9 -10.4 119 119 A S + 0 0 78 18,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.231 62.8 141.5 -59.5 133.1 17.5 45.3 -8.4 120 120 A b - 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