==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 06-DEC-11 3UYC . COMPND 2 MOLECULE: KEMP ELIMINASE KE59 R8_2/7A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.KHERSONSKY,G.KISS,D.ROETHLISBERGER,O.DYM,S.ALBECK,K.N.HOUK . 487 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 36 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 2 1 1 3 4 5 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 8 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 2 A P 0 0 50 0, 0.0 132,-0.3 0, 0.0 131,-0.1 0.000 360.0 360.0 360.0 173.6 -0.2 -25.9 -42.2 2 3 A R - 0 0 72 130,-2.3 2,-0.3 1,-0.1 132,-0.1 -0.340 360.0 -86.9 -69.4 160.4 0.1 -29.0 -39.9 3 4 A Y + 0 0 240 -2,-0.1 2,-0.3 130,-0.1 -1,-0.1 -0.610 61.4 171.2 -70.1 132.1 -2.8 -30.2 -37.9 4 5 A L - 0 0 42 -2,-0.3 2,-0.3 -3,-0.1 128,-0.0 -0.882 21.6-165.8-140.9 163.9 -3.0 -28.3 -34.7 5 6 A K >> + 0 0 156 -2,-0.3 3,-0.7 4,-0.0 4,-0.6 -0.907 55.0 26.9-145.2 172.9 -5.1 -27.8 -31.6 6 7 A G H 3> S- 0 0 58 -2,-0.3 4,-1.6 1,-0.2 3,-0.2 -0.371 123.1 -21.3 71.3-151.4 -5.3 -25.2 -28.7 7 8 A W H 3> S+ 0 0 42 1,-0.2 4,-3.4 174,-0.2 -1,-0.2 0.786 136.0 61.5 -64.6 -28.1 -3.8 -21.7 -29.2 8 9 A L H <> S+ 0 0 9 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.934 104.7 45.7 -64.2 -50.8 -1.6 -22.9 -32.1 9 10 A E H X S+ 0 0 87 -4,-0.6 4,-1.9 -3,-0.2 -1,-0.2 0.893 114.9 49.3 -57.0 -44.9 -4.6 -23.9 -34.2 10 11 A D H X S+ 0 0 51 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.977 112.3 47.1 -61.5 -50.5 -6.3 -20.6 -33.3 11 12 A V H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.905 112.0 50.0 -61.5 -40.4 -3.2 -18.4 -34.2 12 13 A V H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.887 107.9 53.3 -64.4 -39.8 -2.7 -20.2 -37.5 13 14 A Q H X S+ 0 0 84 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.901 111.7 47.6 -56.9 -40.0 -6.4 -19.7 -38.5 14 15 A L H >< S+ 0 0 71 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.908 110.6 50.1 -66.4 -48.3 -5.9 -16.0 -37.7 15 16 A S H >< S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.849 101.6 61.1 -60.8 -36.6 -2.7 -15.8 -39.7 16 17 A L H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 111.1 42.6 -59.9 -25.5 -4.2 -17.5 -42.7 17 18 A R T << S+ 0 0 202 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.267 81.6 136.8-103.8 10.0 -6.6 -14.5 -42.8 18 19 A R < - 0 0 15 -3,-1.8 -3,-0.1 1,-0.1 95,-0.0 -0.378 57.5-125.0 -58.9 114.9 -4.0 -11.9 -42.1 19 20 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.360 26.8-121.6 -63.8 144.3 -4.7 -9.0 -44.4 20 21 A S - 0 0 72 -3,-0.0 2,-0.4 1,-0.0 94,-0.1 -0.334 19.0-135.8 -82.9 175.0 -1.8 -8.1 -46.5 21 22 A L - 0 0 49 92,-0.3 2,-0.3 -2,-0.1 99,-0.1 -0.881 4.6-146.5-147.4 102.4 -0.2 -4.8 -46.5 22 23 A H 0 0 97 -2,-0.4 95,-0.0 99,-0.0 94,-0.0 -0.492 360.0 360.0 -74.5 128.8 0.9 -2.8 -49.5 23 24 A A 0 0 76 -2,-0.3 98,-0.1 0, 0.0 -2,-0.1 -0.955 360.0 360.0-170.8 360.0 4.0 -0.6 -49.1 24 ! 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 25 28 A R 0 0 142 0, 0.0 3,-0.1 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 122.8 16.4 0.7 -47.6 26 29 A P - 0 0 120 0, 0.0 2,-0.3 0, 0.0 98,-0.0 -0.095 360.0 -79.5 -64.9 173.9 18.1 -2.4 -49.0 27 30 A I - 0 0 53 121,-0.1 2,-0.6 97,-0.1 97,-0.1 -0.527 34.2-158.7 -68.9 132.9 18.3 -5.7 -47.0 28 31 A I - 0 0 78 -2,-0.3 2,-0.2 -3,-0.1 75,-0.2 -0.945 27.5-125.7-107.3 110.7 21.0 -6.0 -44.2 29 32 A S > - 0 0 44 -2,-0.6 4,-1.7 1,-0.2 5,-0.1 -0.347 16.6-161.7 -59.8 126.3 21.4 -9.7 -43.7 30 33 A L H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.939 94.0 54.4 -68.6 -44.3 21.0 -10.8 -40.0 31 34 A R H > S+ 0 0 49 120,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.918 109.7 45.5 -51.9 -52.5 22.9 -14.0 -40.7 32 35 A E H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.845 109.6 54.3 -52.9 -47.7 25.8 -12.2 -42.2 33 36 A R H X S+ 0 0 64 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.905 106.6 52.1 -59.9 -40.4 26.0 -9.7 -39.3 34 37 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.913 108.8 50.8 -60.6 -48.1 26.1 -12.5 -36.9 35 38 A L H X S+ 0 0 73 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.938 110.8 49.0 -57.3 -41.0 29.0 -14.1 -38.8 36 39 A E H X S+ 0 0 57 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.875 109.1 50.9 -71.7 -33.7 30.8 -10.8 -38.7 37 40 A F H <>S+ 0 0 24 -4,-2.1 5,-2.6 2,-0.2 -1,-0.2 0.890 109.7 52.5 -65.4 -42.5 30.2 -10.4 -35.0 38 41 A N H ><5S+ 0 0 20 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.936 106.8 51.9 -56.8 -51.4 31.6 -13.9 -34.5 39 42 A K H 3<5S+ 0 0 178 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.3 47.8 -60.2 -27.9 34.7 -13.0 -36.4 40 43 A R T 3<5S- 0 0 184 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.242 114.3-116.6 -93.5 13.3 35.2 -9.9 -34.2 41 44 A N T < 5 + 0 0 152 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.895 66.1 146.4 52.8 44.9 34.7 -11.9 -31.0 42 45 A N < - 0 0 68 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.961 56.6-115.0-114.2 124.8 31.6 -9.9 -30.2 43 46 A T - 0 0 23 -2,-0.5 2,-0.8 200,-0.4 182,-0.1 -0.325 30.6-143.2 -56.8 127.3 28.7 -11.5 -28.4 44 47 A A - 0 0 2 180,-0.4 182,-2.0 29,-0.1 2,-0.5 -0.860 23.1-179.8-100.7 105.3 25.8 -11.5 -30.9 45 48 A I E -a 226 0A 0 -2,-0.8 29,-2.5 27,-0.3 30,-1.2 -0.909 18.9-157.4-102.3 129.6 22.5 -10.8 -29.2 46 49 A I E -ab 227 75A 0 180,-2.7 182,-2.7 -2,-0.5 2,-0.3 -0.900 19.3-151.4 -96.6 108.5 19.1 -10.6 -31.0 47 50 A A E -ab 228 76A 0 28,-1.9 30,-2.2 -2,-0.7 2,-0.5 -0.678 7.1-143.0 -85.2 131.0 16.8 -8.6 -28.7 48 51 A V E - b 0 77A 4 180,-2.7 2,-0.6 -2,-0.3 30,-0.2 -0.834 4.6-152.8 -95.2 131.6 13.2 -9.4 -29.0 49 52 A Y E + b 0 78A 2 28,-2.4 30,-2.2 -2,-0.5 2,-0.3 -0.943 33.4 143.9 -99.0 124.7 10.5 -6.7 -28.8 50 53 A K - 0 0 33 -2,-0.6 36,-0.1 28,-0.2 8,-0.1 -0.861 37.3-160.2-160.5 132.4 7.1 -8.0 -27.5 51 54 A R S S+ 0 0 51 34,-0.6 7,-2.9 -2,-0.3 2,-0.3 0.859 82.5 10.9 -76.5 -43.1 4.5 -6.4 -25.3 52 55 A K B -I 57 0B 22 33,-1.7 5,-0.2 5,-0.2 -1,-0.1 -0.870 59.2-160.7-133.3 160.6 2.8 -9.7 -24.4 53 56 A S 0 0 33 3,-1.2 32,-0.1 -2,-0.3 -3,-0.0 -0.984 360.0 360.0-139.7 145.2 3.4 -13.5 -24.7 54 57 A P 0 0 88 0, 0.0 31,-0.1 0, 0.0 -47,-0.0 0.702 360.0 360.0 -56.7 360.0 0.8 -16.3 -24.4 55 ! 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 56 60 A L 0 0 26 0, 0.0 -3,-1.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 137.5 4.6 -11.4 -20.3 57 61 A N B +I 52 0B 133 -5,-0.2 2,-0.3 -7,-0.1 -5,-0.2 -0.633 360.0 150.0-150.2 95.2 2.8 -8.1 -20.1 58 62 A V - 0 0 23 -7,-2.9 2,-0.5 -2,-0.2 176,-0.1 -0.898 35.6-144.5-121.6 148.1 5.1 -5.0 -20.3 59 63 A E + 0 0 90 -2,-0.3 2,-0.3 174,-0.1 -2,-0.0 -0.982 38.2 147.5-114.9 121.9 4.4 -1.6 -21.7 60 64 A R - 0 0 85 -2,-0.5 -2,-0.1 0, 0.0 3,-0.0 -0.980 52.1-104.6-155.3 136.1 7.5 -0.2 -23.4 61 65 A D > - 0 0 72 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.516 23.5-146.7 -71.6 133.8 7.9 2.1 -26.4 62 66 A P H > S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.909 97.4 47.6 -65.5 -40.1 9.0 0.1 -29.5 63 67 A I H > S+ 0 0 40 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.935 114.0 45.7 -69.5 -43.1 11.1 3.0 -30.9 64 68 A E H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 114.1 49.6 -64.4 -42.4 12.9 3.8 -27.5 65 69 A Y H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.959 113.8 45.2 -60.0 -49.2 13.5 0.1 -26.9 66 70 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.947 113.8 48.8 -63.0 -49.2 15.0 -0.4 -30.4 67 71 A K H < S+ 0 0 112 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.903 111.7 50.7 -53.2 -43.1 17.1 2.8 -30.2 68 72 A F H < S+ 0 0 90 -4,-2.3 3,-0.4 -5,-0.2 -1,-0.2 0.922 116.1 40.3 -62.3 -43.3 18.4 1.7 -26.8 69 73 A M H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-2.2 0.752 92.9 95.0 -74.1 -22.3 19.3 -1.7 -28.2 70 74 A E T 3< S+ 0 0 44 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.726 85.9 38.7 -47.7 -49.7 20.7 -0.3 -31.5 71 75 A R T 34 S+ 0 0 245 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.491 123.3 41.9 -86.7 -3.5 24.4 -0.0 -30.7 72 76 A G T <4 S+ 0 0 26 -3,-2.2 -27,-0.3 -4,-0.2 -2,-0.2 0.777 96.5 73.1-102.7 -49.2 24.5 -3.2 -28.7 73 77 A V < - 0 0 1 -4,-2.5 -27,-0.2 1,-0.1 3,-0.1 -0.302 66.7-136.7 -78.9 158.1 22.5 -6.0 -30.4 74 78 A V S S- 0 0 0 -29,-2.5 2,-0.3 1,-0.3 -28,-0.2 0.728 86.0 -32.4 -73.4 -22.4 23.3 -8.0 -33.6 75 79 A G E -b 46 0A 0 -30,-1.2 -28,-1.9 26,-0.1 2,-0.4 -0.961 58.8-109.9 176.7 171.4 19.7 -7.5 -34.5 76 80 A L E -bc 47 103A 0 26,-1.7 28,-2.9 -2,-0.3 2,-0.5 -0.978 15.0-155.7-124.3 133.5 16.1 -7.1 -33.3 77 81 A A E -bc 48 104A 0 -30,-2.2 -28,-2.4 -2,-0.4 2,-0.5 -0.941 18.0-157.1-106.0 133.3 13.2 -9.6 -33.7 78 82 A I E -bc 49 105A 0 26,-2.8 28,-3.4 -2,-0.5 2,-0.5 -0.946 13.2-131.0-116.2 125.2 9.8 -7.9 -33.7 79 83 A L E + c 0 106A 14 -30,-2.2 9,-0.7 -2,-0.5 28,-0.2 -0.627 29.8 168.7 -68.1 124.5 6.6 -9.6 -32.8 80 84 A T + 0 0 0 26,-2.4 2,-0.3 -2,-0.5 9,-0.2 0.407 40.2 115.5-115.2 -2.3 3.9 -8.8 -35.4 81 85 A E - 0 0 4 25,-0.7 6,-2.5 7,-0.1 4,-0.2 -0.560 51.5-161.2 -72.0 127.3 1.4 -11.5 -34.1 82 86 A E S S+ 0 0 98 -2,-0.3 4,-0.3 4,-0.2 -1,-0.1 0.790 70.3 44.3 -90.9 -28.8 -1.6 -9.5 -32.9 83 87 A K S S+ 0 0 115 2,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.904 123.1 22.5 -96.4 -38.2 -3.7 -11.7 -30.6 84 88 A Y S S+ 0 0 50 1,-0.1 -2,-0.1 -32,-0.1 -1,-0.1 0.703 134.5 32.4-102.3 -17.4 -1.3 -13.5 -28.3 85 89 A F S S- 0 0 28 -4,-0.2 -33,-1.7 -32,-0.1 -34,-0.6 0.465 94.8-132.5-119.8 -0.3 1.7 -11.2 -28.4 86 90 A N + 0 0 92 -4,-0.3 -4,-0.2 1,-0.2 2,-0.2 0.823 61.8 125.8 52.5 40.0 -0.1 -7.9 -28.8 87 91 A G - 0 0 8 -6,-2.5 2,-0.3 -37,-0.1 -7,-0.2 -0.567 36.3-170.4-112.0-178.3 2.2 -6.7 -31.7 88 92 A S >> - 0 0 30 -9,-0.7 4,-1.0 -2,-0.2 3,-0.8 -0.953 42.6 -92.5-162.2 170.9 1.3 -5.5 -35.2 89 93 A Y H 3> S+ 0 0 11 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.738 118.3 67.7 -59.0 -28.2 2.9 -4.6 -38.5 90 94 A E H 3> S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.856 94.4 54.2 -68.5 -36.1 3.1 -1.0 -37.3 91 95 A D H <> S+ 0 0 13 -3,-0.8 4,-2.1 2,-0.2 5,-0.2 0.911 111.8 45.9 -52.3 -46.0 5.7 -1.9 -34.6 92 96 A L H X S+ 0 0 0 -4,-1.0 4,-3.1 1,-0.2 5,-0.3 0.940 111.2 52.8 -68.0 -46.6 7.8 -3.4 -37.4 93 97 A R H X S+ 0 0 83 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.896 112.3 42.7 -54.1 -50.7 7.2 -0.4 -39.6 94 98 A K H X S+ 0 0 86 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.884 116.8 47.0 -63.8 -47.8 8.3 2.2 -37.1 95 99 A I H >X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 3,-1.2 0.917 109.4 52.4 -62.2 -46.4 11.3 0.3 -35.8 96 100 A A H 3< S+ 0 0 25 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.848 113.3 46.9 -66.3 -26.3 12.6 -0.6 -39.3 97 101 A S H 3< S+ 0 0 100 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.608 114.0 49.2 -82.3 -11.8 12.4 3.2 -40.0 98 102 A S H << S+ 0 0 29 -3,-1.2 2,-0.3 -4,-0.6 -2,-0.2 0.585 110.2 34.5-101.9 -17.7 14.1 4.1 -36.8 99 103 A V < - 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