==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAY-07 2Q3U . COMPND 2 MOLECULE: AGMATINE DEIMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR E.J.LEVIN,D.A.KONDRASHOV,G.E.WESENBERG,G.N.PHILLIPS JR.,CENT . 728 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 9.1 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 50 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 7 2 0 2 0 0 0 1 4 0 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 5 2 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 . 6 2 3 4 2 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 6 4 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 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 5 A R 0 0 170 0, 0.0 2,-0.1 0, 0.0 144,-0.0 0.000 360.0 360.0 360.0 45.5 -20.5 34.8 5.1 2 6 A E - 0 0 117 1,-0.1 5,-0.0 2,-0.0 0, 0.0 -0.380 360.0-129.5 -67.7 147.5 -21.1 31.6 7.1 3 7 A S - 0 0 9 1,-0.1 4,-0.3 -2,-0.1 3,-0.2 -0.501 15.1-117.0 -97.0 167.0 -24.8 30.4 7.4 4 8 A P S > >S+ 0 0 0 0, 0.0 5,-1.6 0, 0.0 3,-1.5 0.845 112.8 65.1 -67.3 -34.2 -26.9 29.4 10.4 5 9 A A G > 5S+ 0 0 57 186,-1.1 3,-1.2 1,-0.3 187,-0.1 0.887 97.1 57.3 -56.5 -37.5 -27.3 25.9 8.9 6 10 A E G 3 5S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.2 -4,-0.0 0.653 111.2 42.5 -70.0 -16.0 -23.5 25.5 9.4 7 11 A H G < 5S- 0 0 56 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.320 116.8-107.7-111.2 3.9 -23.9 26.2 13.1 8 12 A G T < 5S+ 0 0 32 -3,-1.2 91,-0.6 -4,-0.4 -3,-0.2 0.422 73.0 133.7 93.5 -10.8 -27.0 24.2 13.8 9 13 A Y E < +A 98 0A 8 -5,-1.6 89,-0.3 89,-0.2 2,-0.3 -0.525 20.7 160.7 -82.3 155.4 -29.4 27.1 14.2 10 14 A Y E -A 97 0A 68 87,-2.6 87,-2.8 -2,-0.2 184,-0.2 -0.910 44.4 -89.9-154.9 173.0 -32.9 27.4 12.7 11 15 A X - 0 0 19 182,-1.9 149,-0.3 85,-0.3 85,-0.2 -0.806 37.5-146.8 -99.8 129.3 -35.9 29.6 13.5 12 16 A P - 0 0 5 0, 0.0 148,-0.2 0, 0.0 146,-0.1 -0.390 28.0 -91.5 -87.4 162.8 -38.5 28.1 16.0 13 17 A A > - 0 0 2 146,-0.2 3,-1.2 1,-0.1 146,-0.1 -0.239 32.6-109.9 -73.4 163.5 -42.3 28.8 15.9 14 18 A E T 3 S+ 0 0 19 144,-0.5 -1,-0.1 1,-0.3 145,-0.1 0.637 116.3 60.1 -68.5 -18.2 -44.1 31.6 17.7 15 19 A W T 3 S+ 0 0 58 2,-0.1 -1,-0.3 293,-0.1 294,-0.2 0.685 85.1 97.0 -83.9 -19.1 -45.7 29.2 20.0 16 20 A D S < S- 0 0 75 -3,-1.2 2,-0.0 1,-0.2 144,-0.0 -0.130 93.0 -69.0 -66.1 169.1 -42.3 27.9 21.3 17 21 A S - 0 0 73 345,-0.1 346,-1.9 346,-0.1 2,-0.4 -0.304 51.4-156.6 -66.5 146.4 -41.0 29.4 24.5 18 22 A H E -D 362 0B 7 344,-0.4 290,-0.1 1,-0.2 3,-0.1 -0.953 23.4-151.5-122.1 138.0 -39.8 33.0 24.7 19 23 A A E S- 0 0 41 342,-1.8 2,-0.3 -2,-0.4 -1,-0.2 0.949 80.6 -42.6 -61.2 -59.3 -37.4 35.0 26.9 20 24 A Q E -D 361 0B 7 341,-1.3 341,-2.5 34,-0.1 2,-0.4 -0.915 59.7-104.6-161.0 179.2 -39.3 38.2 26.4 21 25 A T E -De 360 56B 0 34,-2.1 36,-3.5 -2,-0.3 2,-0.4 -0.972 24.5-141.8-119.9 138.4 -41.0 40.2 23.5 22 26 A W E +De 359 57B 0 337,-1.9 337,-2.4 -2,-0.4 2,-0.3 -0.779 22.0 173.0 -98.8 142.6 -39.5 43.3 21.9 23 27 A I E -De 358 58B 1 34,-2.1 36,-1.4 -2,-0.4 335,-0.2 -0.986 18.1-144.8-142.8 142.4 -41.7 46.2 20.8 24 28 A G - 0 0 0 333,-0.8 36,-0.1 62,-0.4 62,-0.1 0.058 21.3-114.6 -89.5-151.1 -40.7 49.7 19.4 25 29 A W - 0 0 3 60,-0.1 36,-0.3 33,-0.1 58,-0.1 -0.930 23.4-120.8-154.1 125.0 -42.5 53.2 20.0 26 30 A P + 0 0 0 0, 0.0 14,-0.1 0, 0.0 59,-0.0 -0.331 45.3 139.2 -76.7 149.1 -44.3 55.4 17.5 27 31 A E + 0 0 65 1,-0.1 5,-0.1 -2,-0.1 10,-0.1 0.581 26.3 107.9-149.8 -46.6 -43.3 58.9 16.7 28 32 A R >> - 0 0 45 1,-0.1 4,-1.7 2,-0.1 3,-1.4 -0.260 51.3-149.2 -66.7 127.3 -43.3 60.2 13.2 29 33 A Q T 34 S+ 0 0 84 1,-0.3 254,-1.6 2,-0.2 6,-0.2 0.742 91.9 63.5 -66.2 -25.2 -46.1 62.7 12.5 30 34 A D T 34 S+ 0 0 5 252,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.390 118.8 27.1 -79.5 -2.9 -46.5 61.8 8.8 31 35 A N T <4 S+ 0 0 8 -3,-1.4 2,-0.6 1,-0.2 -2,-0.2 0.497 118.6 55.4-129.2 -19.1 -47.5 58.3 9.8 32 36 A W S X S- 0 0 6 -4,-1.7 4,-1.3 249,-0.1 3,-0.4 -0.918 82.0-134.5-126.2 107.6 -49.1 58.7 13.3 33 37 A R T >4 S+ 0 0 34 -2,-0.6 3,-0.8 1,-0.2 6,-0.4 -0.041 82.9 22.9 -55.6 152.7 -51.9 61.2 13.5 34 38 A H G >4 S- 0 0 95 247,-1.2 3,-1.9 1,-0.3 -1,-0.2 0.904 137.5 -55.4 56.6 46.4 -51.9 63.7 16.3 35 39 A N G 34 S- 0 0 89 246,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.788 93.5 -75.2 56.5 29.1 -48.3 63.6 17.1 36 40 A A G S+ 0 0 84 -3,-1.9 4,-2.4 1,-0.2 5,-0.2 0.919 71.3 50.5 -59.9 -41.5 -50.4 60.1 21.0 38 42 A P H > S+ 0 0 7 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.924 115.2 41.6 -61.4 -45.5 -53.2 57.8 20.0 39 43 A A H > S+ 0 0 3 -6,-0.4 4,-3.5 2,-0.2 5,-0.3 0.840 109.4 58.9 -69.9 -32.6 -50.9 55.1 18.8 40 44 A Q H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.938 105.2 51.6 -59.9 -37.0 -48.6 55.6 21.7 41 45 A R H X S+ 0 0 146 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.938 112.9 43.7 -65.5 -43.1 -51.5 54.8 23.9 42 46 A V H X S+ 0 0 13 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.902 113.3 50.6 -68.1 -40.6 -52.2 51.6 21.9 43 47 A F H X S+ 0 0 1 -4,-3.5 4,-3.0 1,-0.2 -2,-0.2 0.956 110.8 50.3 -59.0 -49.2 -48.6 50.5 21.8 44 48 A A H X S+ 0 0 3 -4,-3.1 4,-2.3 -5,-0.3 -2,-0.2 0.909 110.6 48.8 -56.6 -40.5 -48.4 51.1 25.5 45 49 A G H X S+ 0 0 26 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.900 110.1 52.9 -65.5 -38.0 -51.5 48.9 26.0 46 50 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.956 110.0 46.9 -60.0 -47.5 -50.0 46.3 23.8 47 51 A A H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.868 113.0 49.3 -64.9 -31.4 -46.8 46.2 25.8 48 52 A K H X S+ 0 0 85 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.902 110.5 51.0 -72.9 -40.0 -48.8 46.0 29.1 49 53 A A H X S+ 0 0 15 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.900 111.2 46.8 -60.1 -43.9 -50.9 43.2 27.8 50 54 A I H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-1.4 0.892 104.2 62.0 -68.0 -34.7 -47.9 41.1 26.7 51 55 A S H 3< S+ 0 0 24 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.861 90.1 68.6 -61.1 -31.3 -46.1 41.8 30.1 52 56 A K H 3< S+ 0 0 180 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.942 114.8 28.8 -54.1 -32.5 -49.0 40.0 31.9 53 57 A F H << S- 0 0 53 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.795 135.8 -8.8 -92.9 -38.4 -47.6 36.8 30.1 54 58 A E S < S- 0 0 4 -4,-2.5 -1,-0.3 253,-0.0 -34,-0.1 -0.987 87.3 -68.5-161.2 160.6 -44.0 37.5 29.7 55 59 A P - 0 0 71 0, 0.0 -34,-2.1 0, 0.0 2,-0.5 -0.099 46.1-143.8 -53.4 133.2 -41.4 40.3 30.1 56 60 A V E -e 21 0B 2 19,-0.4 21,-1.8 -36,-0.2 2,-0.7 -0.900 11.5-164.0-105.5 127.8 -41.6 43.2 27.7 57 61 A T E -ef 22 77B 0 -36,-3.5 -34,-2.1 -2,-0.5 2,-0.3 -0.873 13.3-174.8-104.5 109.6 -38.7 45.1 26.3 58 62 A V E -ef 23 78B 1 19,-2.2 21,-2.2 -2,-0.7 2,-0.4 -0.621 6.1-160.9 -89.1 146.6 -39.9 48.4 24.8 59 63 A C E - f 0 79B 0 -36,-1.4 2,-0.3 -2,-0.3 21,-0.2 -0.999 10.3-178.9-130.0 134.0 -37.4 50.6 22.9 60 64 A A E - f 0 80B 0 19,-2.3 21,-2.4 -2,-0.4 5,-0.1 -0.949 31.1-101.9-133.6 151.2 -38.0 54.4 22.2 61 65 A S > - 0 0 9 -2,-0.3 4,-1.2 -36,-0.3 21,-0.2 -0.155 41.6-100.5 -66.8 165.7 -35.9 57.0 20.4 62 66 A P T >4 S+ 0 0 32 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.900 123.7 49.3 -52.4 -45.9 -33.8 59.5 22.4 63 67 A A T 34 S+ 0 0 75 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.927 119.4 37.9 -62.2 -43.5 -36.5 62.2 22.0 64 68 A Q T 3> S+ 0 0 30 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.445 87.6 97.3 -82.6 -8.2 -39.3 59.9 23.1 65 69 A W H S+ 0 0 93 -4,-0.4 4,-2.6 -3,-0.3 -1,-0.2 0.897 113.5 51.5 -63.8 -38.3 -38.8 60.0 28.7 67 71 A N H > S+ 0 0 52 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.958 113.0 44.4 -63.3 -49.7 -42.4 60.0 27.3 68 72 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.917 112.3 52.5 -63.0 -41.8 -42.4 56.2 26.9 69 73 A R H < S+ 0 0 17 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.913 112.3 45.5 -61.1 -37.6 -40.8 55.8 30.4 70 74 A K H < S+ 0 0 176 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.911 114.4 48.3 -69.0 -44.1 -43.6 57.9 32.0 71 75 A Q H < S+ 0 0 64 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.902 103.3 70.2 -64.2 -37.9 -46.4 56.1 30.1 72 76 A L S < S- 0 0 7 -4,-2.3 6,-0.1 -5,-0.2 -27,-0.0 -0.596 89.4-108.3 -92.8 139.9 -45.3 52.6 30.8 73 77 A P > - 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