==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-12 4HTA . COMPND 2 MOLECULE: HYDROLASE, ALPHA/BETA FOLD FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR R.BYTHELL-DOUGLAS,M.T.WATERS,A.SCAFFIDI,G.R.FLEMATTI,S.M.SMI . 270 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 0 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 -7 A L 0 0 189 0, 0.0 81,-0.1 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 -23.6 12.8 -20.6 10.7 2 -6 A Y 0 0 25 79,-0.1 80,-0.2 76,-0.1 79,-0.1 0.741 360.0 360.0-109.6 -28.4 9.3 -20.0 12.2 3 -5 A K 0 0 139 79,-0.1 76,-0.1 78,-0.1 75,-0.0 -0.282 360.0 360.0 -64.4 360.0 9.2 -20.0 16.0 4 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 5 2 A G 0 0 130 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.3 9.4 -22.6 25.4 6 3 A V > - 0 0 65 1,-0.2 4,-2.7 2,-0.0 5,-0.2 -0.770 360.0-158.2 -92.2 119.8 7.3 -25.6 24.1 7 4 A V H > S+ 0 0 20 -2,-0.6 4,-1.9 2,-0.2 6,-0.2 0.938 96.6 51.1 -57.5 -48.6 5.3 -24.9 20.9 8 5 A E H 4>S+ 0 0 76 1,-0.2 5,-2.6 2,-0.2 4,-0.3 0.888 113.5 44.9 -58.5 -41.0 2.8 -27.8 21.8 9 6 A E H >45S+ 0 0 144 3,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.921 110.7 52.2 -69.1 -46.5 2.3 -26.4 25.3 10 7 A A H 3<5S+ 0 0 20 -4,-2.7 51,-0.3 1,-0.2 -2,-0.2 0.829 118.5 36.9 -59.3 -35.5 1.9 -22.7 24.2 11 8 A H T 3<5S- 0 0 9 -4,-1.9 42,-3.2 -5,-0.2 -1,-0.2 0.264 106.3-121.0-103.1 8.8 -0.8 -23.6 21.7 12 9 A N T < 5 - 0 0 49 -3,-1.1 -3,-0.2 -4,-0.3 2,-0.1 0.908 41.9-163.5 51.5 44.0 -2.5 -26.4 23.7 13 10 A V < - 0 0 17 -5,-2.6 2,-0.4 -6,-0.2 39,-0.2 -0.410 11.9-172.5 -64.0 130.4 -1.8 -28.7 20.8 14 11 A K E -A 51 0A 100 37,-2.5 37,-2.9 -3,-0.1 2,-0.5 -1.000 6.6-164.8-126.7 127.5 -3.8 -32.0 20.9 15 12 A V E +A 50 0A 64 -2,-0.4 2,-0.2 35,-0.2 35,-0.2 -0.975 24.5 154.3-114.7 119.5 -3.0 -34.8 18.4 16 13 A I E +A 49 0A 63 33,-2.8 33,-2.9 -2,-0.5 -2,-0.0 -0.724 27.8 41.0-133.9-178.3 -5.7 -37.5 18.1 17 14 A G E -A 48 0A 39 31,-0.3 2,-0.3 -2,-0.2 31,-0.3 -0.045 64.7-111.9 71.5-172.6 -7.1 -40.1 15.7 18 15 A S + 0 0 79 26,-1.4 2,-0.3 29,-0.8 3,-0.1 -0.958 50.1 97.6-158.9 148.6 -5.2 -42.4 13.3 19 16 A G S S- 0 0 52 -2,-0.3 28,-0.2 28,-0.1 27,-0.1 -0.895 74.0 -77.9 155.6 179.6 -4.8 -42.8 9.6 20 17 A E S S+ 0 0 200 26,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.898 107.6 56.2 -71.9 -43.2 -2.6 -42.1 6.6 21 18 A A S S- 0 0 39 25,-0.5 27,-2.4 -3,-0.1 2,-0.4 -0.567 73.1-139.8 -96.2 154.8 -3.6 -38.4 6.2 22 19 A T E -b 48 0A 7 69,-0.4 71,-2.7 25,-0.2 2,-0.5 -0.948 7.3-161.2-116.9 133.1 -3.5 -35.5 8.8 23 20 A I E -bc 49 93A 0 25,-2.7 27,-2.8 -2,-0.4 2,-0.5 -0.953 6.1-161.2-109.1 129.8 -6.2 -32.9 9.3 24 21 A V E -bc 50 94A 0 69,-2.8 71,-3.0 -2,-0.5 2,-0.5 -0.966 7.0-154.6-112.7 129.1 -5.2 -29.7 11.1 25 22 A L E -bc 51 95A 0 25,-2.8 27,-0.9 -2,-0.5 2,-0.5 -0.928 9.0-171.8-112.3 116.4 -8.1 -27.5 12.6 26 23 A G E -bc 52 96A 0 69,-2.8 71,-3.2 -2,-0.5 74,-0.1 -0.938 14.1-145.6-110.9 125.6 -7.5 -23.8 13.1 27 24 A H - 0 0 3 25,-0.5 73,-0.2 -2,-0.5 6,-0.1 -0.353 12.0-114.2 -90.8 168.1 -10.2 -21.8 15.0 28 25 A G > - 0 0 0 4,-0.2 3,-1.4 1,-0.2 70,-0.1 -0.263 46.9 -59.0 -95.2 179.2 -11.5 -18.2 14.6 29 26 A F T 3 S+ 0 0 37 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.292 117.7 13.5 -58.6 137.5 -11.5 -15.1 16.7 30 27 A G T 3 S+ 0 0 4 1,-0.3 -1,-0.2 150,-0.1 153,-0.2 0.343 116.1 71.8 81.7 -5.9 -13.1 -15.3 20.2 31 28 A T < - 0 0 5 -3,-1.4 -1,-0.3 149,-0.1 2,-0.2 -0.422 64.5-146.9-120.1-164.8 -13.3 -19.1 20.3 32 29 A D > - 0 0 15 -2,-0.2 3,-2.3 -3,-0.1 -4,-0.2 -0.820 50.5 -61.3-150.5-170.1 -10.8 -22.0 20.7 33 30 A Q G > S+ 0 0 21 1,-0.3 3,-1.7 -2,-0.2 20,-0.1 0.675 119.4 78.7 -57.4 -17.5 -10.2 -25.6 19.5 34 31 A S G > S+ 0 0 29 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.699 74.1 78.8 -63.5 -18.2 -13.6 -26.5 21.4 35 32 A V G < S+ 0 0 0 -3,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.749 88.1 57.6 -59.0 -25.9 -15.3 -25.0 18.3 36 33 A W G X> S+ 0 0 1 -3,-1.7 4,-2.4 1,-0.2 3,-1.3 0.302 70.8 116.1 -88.2 7.1 -14.5 -28.3 16.4 37 34 A K T <4 S+ 0 0 85 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.776 78.9 41.9 -50.0 -36.9 -16.4 -30.5 19.0 38 35 A H T 34 S+ 0 0 72 -3,-0.4 -1,-0.3 214,-0.3 4,-0.2 0.664 116.7 48.5 -86.5 -17.4 -19.0 -31.8 16.6 39 36 A L T X4 S+ 0 0 1 -3,-1.3 3,-1.8 2,-0.1 4,-0.3 0.900 96.9 67.3 -84.2 -48.2 -16.6 -32.4 13.7 40 37 A V G >X S+ 0 0 21 -4,-2.4 3,-2.2 1,-0.3 4,-1.8 0.822 92.2 59.2 -45.3 -46.6 -13.8 -34.3 15.5 41 38 A P G 34 S+ 0 0 82 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.782 105.1 52.7 -59.4 -23.4 -15.8 -37.5 16.2 42 39 A H G <4 S+ 0 0 93 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.471 115.0 40.9 -87.4 -4.7 -16.4 -37.9 12.4 43 40 A L T X> S+ 0 0 0 -3,-2.2 4,-2.2 -4,-0.3 3,-1.4 0.739 91.0 79.2-109.4 -37.7 -12.6 -37.6 11.6 44 41 A V T 3< S+ 0 0 35 -4,-1.8 -26,-1.4 1,-0.3 -2,-0.1 0.710 90.8 54.2 -52.0 -32.4 -10.7 -39.6 14.3 45 42 A D T 34 S+ 0 0 130 -4,-0.3 -1,-0.3 -28,-0.2 -2,-0.1 0.785 122.2 27.8 -73.3 -26.8 -11.3 -43.1 12.8 46 43 A D T <4 S+ 0 0 93 -3,-1.4 -25,-0.5 1,-0.1 -26,-0.4 0.612 121.3 35.5-111.0 -19.7 -9.9 -42.1 9.4 47 44 A Y S < S- 0 0 31 -4,-2.2 -29,-0.8 -28,-0.2 2,-0.4 -0.964 72.4-114.6-136.7 157.7 -7.4 -39.3 10.1 48 45 A R E -Ab 17 22A 85 -27,-2.4 -25,-2.7 -2,-0.3 2,-0.4 -0.715 43.6-153.3 -79.4 137.9 -4.8 -38.1 12.5 49 46 A V E -Ab 16 23A 0 -33,-2.9 -33,-2.8 -2,-0.4 2,-0.5 -0.982 11.5-161.6-122.6 130.3 -6.3 -34.8 13.8 50 47 A V E -Ab 15 24A 0 -27,-2.8 -25,-2.8 -2,-0.4 2,-0.4 -0.947 8.8-175.0-112.6 122.7 -4.3 -31.8 15.1 51 48 A L E +Ab 14 25A 12 -37,-2.9 -37,-2.5 -2,-0.5 2,-0.3 -0.905 11.3 163.2-113.7 141.6 -6.1 -29.2 17.3 52 49 A Y E - b 0 26A 4 -27,-0.9 -25,-0.5 -2,-0.4 2,-0.4 -0.986 31.2-123.6-152.6 159.4 -4.5 -26.0 18.5 53 50 A D - 0 0 4 -42,-3.2 2,-0.1 -2,-0.3 -21,-0.1 -0.872 28.7-116.6-108.4 142.0 -5.3 -22.6 19.9 54 51 A N > - 0 0 13 -2,-0.4 3,-2.2 -26,-0.1 5,-0.1 -0.471 40.0 -99.6 -69.1 142.0 -4.3 -19.3 18.4 55 52 A M T 3 S+ 0 0 7 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.417 114.4 39.2 -62.3 135.3 -2.0 -17.2 20.6 56 53 A G T 3 S+ 0 0 5 1,-0.5 129,-0.3 5,-0.1 -1,-0.3 0.156 83.1 127.4 104.6 -19.4 -4.2 -14.6 22.2 57 54 A A S X S- 0 0 9 -3,-2.2 3,-2.3 1,-0.1 -1,-0.5 -0.384 76.8-109.2 -65.0 152.5 -7.2 -17.0 22.7 58 55 A G T 3 S+ 0 0 34 122,-0.3 -1,-0.1 1,-0.3 -26,-0.1 0.702 118.9 61.2 -57.0 -22.2 -8.4 -17.0 26.4 59 56 A T T 3 S+ 0 0 63 -5,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.405 95.8 80.7 -83.5 -3.4 -6.9 -20.6 26.9 60 57 A T S < S- 0 0 13 -3,-2.3 -49,-0.1 -6,-0.1 -50,-0.1 -0.686 94.4 -93.7-106.7 161.0 -3.4 -19.2 26.1 61 58 A N > - 0 0 62 -51,-0.3 3,-2.2 -2,-0.2 4,-0.3 -0.614 25.6-151.9 -74.6 115.4 -0.9 -17.4 28.3 62 59 A P G > S+ 0 0 49 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.772 94.5 66.6 -60.1 -23.7 -1.3 -13.5 27.9 63 60 A D G 3 S+ 0 0 136 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.622 97.4 54.6 -68.6 -16.3 2.4 -13.1 28.8 64 61 A Y G < S+ 0 0 132 -3,-2.2 2,-1.1 -54,-0.1 -1,-0.2 0.472 77.3 113.6 -94.5 -5.5 3.3 -14.9 25.5 65 62 A F < - 0 0 11 -3,-1.1 2,-0.8 -4,-0.3 3,-0.1 -0.571 54.4-160.9 -73.1 102.1 1.2 -12.5 23.3 66 63 A D > - 0 0 81 -2,-1.1 4,-2.5 1,-0.2 5,-0.1 -0.751 6.7-161.2 -88.8 106.2 3.8 -10.7 21.3 67 64 A F T 4 S+ 0 0 94 -2,-0.8 -1,-0.2 2,-0.2 4,-0.1 0.774 90.8 49.0 -60.7 -28.0 2.3 -7.5 19.9 68 65 A D T >4 S+ 0 0 134 2,-0.2 3,-1.4 1,-0.1 4,-0.2 0.960 112.4 47.3 -75.7 -47.6 4.9 -7.1 17.2 69 66 A R G >4 S+ 0 0 61 1,-0.3 3,-0.6 2,-0.1 6,-0.5 0.888 118.5 41.2 -57.4 -45.6 4.6 -10.8 16.0 70 67 A Y G 3< S+ 0 0 10 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.278 81.1 102.2 -92.9 14.9 0.7 -10.6 15.9 71 68 A S G < S+ 0 0 66 -3,-1.4 2,-0.3 -5,-0.1 -1,-0.2 0.639 95.5 25.9 -70.1 -13.9 0.6 -7.0 14.4 72 69 A N S X S- 0 0 83 -3,-0.6 3,-1.4 -4,-0.2 4,-0.5 -0.957 90.6-108.2-143.4 161.9 -0.2 -8.9 11.1 73 70 A L T >> S+ 0 0 9 -2,-0.3 4,-1.6 1,-0.3 3,-1.0 0.771 108.2 77.0 -63.1 -25.4 -1.8 -12.3 10.3 74 71 A E H 3> S+ 0 0 73 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.807 85.2 62.4 -55.6 -32.5 1.6 -13.6 9.1 75 72 A G H <> S+ 0 0 6 -3,-1.4 4,-1.5 -6,-0.5 -1,-0.3 0.887 106.0 44.8 -59.2 -41.4 2.6 -14.0 12.8 76 73 A Y H <> S+ 0 0 14 -3,-1.0 4,-2.1 -4,-0.5 -1,-0.2 0.846 110.3 55.3 -70.6 -35.1 -0.2 -16.6 13.2 77 74 A S H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.871 107.0 50.3 -65.2 -37.0 0.8 -18.3 9.9 78 75 A F H X S+ 0 0 53 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.870 108.3 52.4 -70.6 -32.8 4.3 -18.7 11.3 79 76 A D H X S+ 0 0 13 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.915 109.5 49.9 -66.2 -42.0 2.9 -20.3 14.5 80 77 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.946 112.0 46.9 -60.0 -47.4 0.9 -22.7 12.3 81 78 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.912 110.5 52.7 -60.9 -42.6 4.1 -23.6 10.3 82 79 A A H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.861 108.3 51.5 -60.3 -39.3 6.1 -24.0 13.6 83 80 A I H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.932 111.5 46.6 -62.7 -47.5 3.3 -26.4 14.9 84 81 A L H X>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.5 0.924 116.0 45.0 -61.8 -44.0 3.6 -28.5 11.7 85 82 A E H ><5S+ 0 0 71 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.905 109.7 54.8 -66.8 -40.1 7.4 -28.6 11.8 86 83 A D H 3<5S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.864 114.4 41.6 -58.3 -39.2 7.4 -29.4 15.6 87 84 A L H 3<5S- 0 0 33 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.467 110.6-123.1 -87.6 -6.0 5.2 -32.4 14.8 88 85 A K T <<5 + 0 0 179 -3,-1.0 2,-0.6 -4,-0.5 -3,-0.2 0.863 51.5 163.0 61.8 38.8 7.1 -33.4 11.6 89 86 A I < - 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