==== 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 3UY7 . COMPND 2 MOLECULE: KEMP ELIMINASE KE59 R1 7/10H; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.KHERSONSKY,G.KISS,D.ROETHLISBERGER,O.DYM,S.ALBECK,K.N.HOUK . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 51 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 2 2 0 1 7 6 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 58 0, 0.0 135,-0.3 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 171.8 34.2 -23.8 -2.2 2 3 A R - 0 0 54 133,-2.0 2,-0.5 1,-0.1 135,-0.1 -0.163 360.0 -79.8 -60.5 169.6 33.3 -22.4 1.3 3 4 A Y + 0 0 243 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.697 68.5 171.1 -73.1 121.6 31.2 -24.4 3.8 4 5 A L - 0 0 38 -2,-0.5 2,-0.3 -3,-0.1 131,-0.0 -0.773 22.3-163.2-128.9 174.6 27.7 -23.9 2.5 5 6 A K >> + 0 0 182 -2,-0.2 4,-1.4 0, 0.0 3,-0.8 -0.932 50.4 5.1-151.0 163.1 24.1 -25.2 3.1 6 7 A G H 3> S- 0 0 58 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 -0.121 119.8 -12.7 67.9-146.0 20.7 -25.2 1.3 7 8 A A H 3> S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.821 134.9 56.9 -68.4 -31.5 20.2 -24.0 -2.2 8 9 A L H <> S+ 0 0 17 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.923 108.4 47.1 -64.8 -40.8 23.6 -22.2 -2.3 9 10 A K H X S+ 0 0 101 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.932 112.9 51.9 -63.1 -43.4 25.3 -25.6 -1.5 10 11 A D H X S+ 0 0 48 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.919 110.0 45.3 -59.6 -47.5 23.1 -27.2 -4.2 11 12 A V H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.878 112.9 51.9 -72.5 -29.7 24.0 -24.7 -7.0 12 13 A V H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.924 110.1 48.6 -68.7 -43.8 27.7 -24.9 -6.1 13 14 A Q H X S+ 0 0 99 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.928 113.0 48.0 -60.5 -44.1 27.6 -28.7 -6.3 14 15 A L H < S+ 0 0 71 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.877 110.4 52.0 -62.0 -42.0 25.8 -28.5 -9.7 15 16 A S H >< S+ 0 0 3 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.877 102.1 59.2 -66.3 -35.9 28.4 -25.9 -10.9 16 17 A L H 3< S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.796 111.0 42.5 -57.3 -33.5 31.2 -28.2 -10.0 17 18 A R T 3< S+ 0 0 122 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.335 82.3 136.3 -93.1 6.8 29.7 -30.7 -12.4 18 19 A R < - 0 0 15 -3,-1.6 2,-0.1 -4,-0.1 -3,-0.1 -0.297 59.9-121.2 -61.5 123.6 28.9 -28.1 -15.2 19 20 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.417 27.0-131.9 -66.4 135.8 30.0 -29.8 -18.5 20 21 A S - 0 0 47 -2,-0.1 2,-0.3 1,-0.1 97,-0.1 -0.321 20.4-140.5 -81.5 166.5 32.6 -27.6 -20.3 21 22 A L - 0 0 42 95,-0.3 2,-0.4 -2,-0.1 102,-0.1 -0.764 4.7-131.3-123.1 171.2 32.3 -26.7 -23.9 22 23 A R + 0 0 202 -2,-0.3 2,-0.3 2,-0.0 98,-0.0 -0.998 44.3 126.6-124.7 127.1 34.5 -26.4 -27.0 23 24 A A - 0 0 33 -2,-0.4 2,-0.5 2,-0.0 101,-0.1 -0.948 53.0-108.6-165.1 162.2 34.3 -23.3 -29.3 24 25 A S - 0 0 97 -2,-0.3 2,-0.3 100,-0.1 99,-0.1 -0.876 28.9-130.7-103.9 129.6 36.5 -20.7 -30.8 25 26 A R - 0 0 30 -2,-0.5 99,-0.1 1,-0.1 98,-0.1 -0.538 24.2-178.7 -71.3 138.4 36.3 -17.2 -29.4 26 27 A Q + 0 0 93 -2,-0.3 -1,-0.1 97,-0.1 97,-0.0 -0.400 53.4 75.9-138.2 64.0 35.9 -14.8 -32.3 27 28 A R S S- 0 0 30 -2,-0.1 98,-0.1 99,-0.1 73,-0.0 -0.913 77.1-114.7-164.2 139.5 35.8 -11.6 -30.5 28 29 A P - 0 0 92 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.263 46.3 -90.2 -69.9 171.3 38.4 -9.4 -28.8 29 30 A I - 0 0 57 76,-0.0 2,-0.6 122,-0.0 98,-0.1 -0.824 41.7-163.7 -78.1 122.6 38.3 -8.8 -25.1 30 31 A I - 0 0 40 -2,-0.6 76,-0.3 76,-0.1 2,-0.2 -0.937 21.7-130.4-112.3 100.7 36.1 -5.7 -24.7 31 32 A S > - 0 0 49 -2,-0.6 4,-1.6 1,-0.2 5,-0.1 -0.332 18.4-164.7 -67.2 122.6 36.8 -4.5 -21.1 32 33 A L H > S+ 0 0 8 2,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.909 91.4 54.2 -64.9 -47.6 33.8 -3.7 -18.9 33 34 A R H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 109.0 46.7 -54.5 -44.2 36.0 -1.9 -16.5 34 35 A E H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 110.1 51.5 -68.8 -38.4 37.5 0.4 -19.0 35 36 A R H X S+ 0 0 59 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.885 108.0 53.5 -70.8 -32.1 34.2 1.3 -20.7 36 37 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.949 109.5 48.0 -57.7 -51.0 32.7 2.2 -17.3 37 38 A L H X S+ 0 0 54 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.879 111.2 51.5 -59.4 -38.4 35.6 4.5 -16.7 38 39 A E H X S+ 0 0 88 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.917 109.7 48.5 -65.0 -41.7 35.1 6.0 -20.2 39 40 A F H <>S+ 0 0 10 -4,-2.6 5,-2.6 1,-0.2 4,-0.3 0.907 109.3 53.6 -64.0 -42.8 31.4 6.6 -19.5 40 41 A N H ><5S+ 0 0 24 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.931 108.8 49.6 -57.1 -45.1 32.2 8.3 -16.2 41 42 A K H 3<5S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.838 112.5 46.5 -63.8 -32.6 34.6 10.6 -18.0 42 43 A R T 3<5S- 0 0 158 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.333 112.8-120.5 -86.3 2.4 31.9 11.5 -20.6 43 44 A N T < 5 + 0 0 139 -3,-1.5 2,-0.5 -4,-0.3 -3,-0.2 0.872 64.6 143.8 54.2 45.3 29.3 12.0 -17.8 44 45 A I < - 0 0 53 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.960 58.6-112.4-112.8 124.6 27.1 9.3 -19.2 45 46 A T - 0 0 33 201,-0.5 2,-0.8 -2,-0.5 183,-0.1 -0.312 29.7-142.1 -56.4 131.5 25.2 7.1 -16.8 46 47 A A + 0 0 1 181,-0.4 183,-2.1 30,-0.1 2,-0.5 -0.828 23.3 178.8-108.5 102.0 26.7 3.6 -17.0 47 48 A I E -a 229 0A 0 -2,-0.8 30,-2.1 28,-0.4 31,-0.9 -0.911 18.7-153.9-104.6 127.3 24.0 0.9 -16.7 48 49 A I E -ab 230 78A 2 181,-2.8 183,-2.3 -2,-0.5 2,-0.4 -0.900 20.7-149.1 -98.4 106.7 24.9 -2.9 -17.0 49 50 A A E -ab 231 79A 0 29,-1.9 31,-2.6 -2,-0.7 2,-0.4 -0.675 6.8-140.9 -83.4 137.1 21.7 -4.5 -18.2 50 51 A V E - b 0 80A 4 181,-2.3 2,-0.6 -2,-0.4 31,-0.2 -0.777 6.7-156.1-102.5 135.0 21.1 -8.1 -17.1 51 52 A Y E + b 0 81A 2 29,-3.1 31,-2.5 -2,-0.4 2,-0.3 -0.951 33.4 148.1-103.7 113.8 19.6 -10.8 -19.2 52 53 A K - 0 0 27 -2,-0.6 37,-0.1 29,-0.2 9,-0.1 -0.919 32.6-166.0-150.8 126.3 18.0 -13.5 -16.9 53 54 A R S S+ 0 0 34 35,-0.7 8,-2.1 -2,-0.3 2,-0.3 0.632 79.2 10.8 -83.7 -20.8 14.9 -15.6 -17.7 54 55 A K + 0 0 77 34,-1.1 -1,-0.2 6,-0.2 5,-0.1 -0.982 66.1 167.2-151.3 155.2 14.3 -16.9 -14.1 55 56 A S B > -I 58 0B 11 3,-0.6 3,-1.3 -2,-0.3 33,-0.1 -0.969 48.8-106.8-164.2 166.0 15.7 -16.0 -10.7 56 57 A P T 3 S+ 0 0 52 0, 0.0 32,-0.1 0, 0.0 364,-0.1 0.720 118.9 50.7 -66.5 -11.1 14.9 -16.6 -7.0 57 58 A S T 3 S+ 0 0 3 2,-0.1 2,-0.3 361,-0.1 363,-0.1 -0.060 112.9 27.7-120.7 28.9 13.7 -13.0 -6.8 58 59 A G B < S-I 55 0B 7 -3,-1.3 -3,-0.6 359,-0.2 2,-0.2 -0.988 79.6 -88.7-170.1 168.4 11.3 -12.7 -9.7 59 60 A L - 0 0 19 -2,-0.3 -2,-0.1 -5,-0.1 389,-0.0 -0.560 59.0 -86.8 -78.6 158.7 8.8 -14.4 -12.0 60 61 A D - 0 0 93 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.2 -0.286 38.4-166.1 -66.0 144.6 10.0 -16.0 -15.2 61 62 A V - 0 0 25 -8,-2.1 2,-0.8 -9,-0.1 -9,-0.1 -0.983 2.7-164.7-131.2 118.5 10.3 -13.8 -18.4 62 63 A E + 0 0 119 -2,-0.4 2,-0.3 2,-0.0 -9,-0.0 -0.890 30.4 144.1-105.3 107.4 10.8 -15.5 -21.7 63 64 A R - 0 0 80 -2,-0.8 -2,-0.1 0, 0.0 173,-0.0 -0.932 57.7 -79.2-141.9 161.1 12.0 -13.0 -24.2 64 65 A D > - 0 0 96 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.459 32.5-158.2 -68.4 123.1 14.3 -13.0 -27.2 65 66 A P H > S+ 0 0 6 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.854 90.8 50.8 -70.6 -37.2 17.9 -12.7 -26.0 66 67 A I H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.943 111.6 46.7 -68.2 -42.3 19.2 -11.3 -29.4 67 68 A E H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.905 112.8 50.4 -60.1 -43.8 16.6 -8.6 -29.5 68 69 A Y H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.952 113.7 44.5 -58.9 -48.5 17.2 -7.6 -25.9 69 70 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.912 113.5 49.8 -66.8 -36.7 21.0 -7.4 -26.5 70 71 A K H X S+ 0 0 121 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.868 112.7 47.3 -68.5 -40.0 20.6 -5.4 -29.7 71 72 A F H >< S+ 0 0 46 -4,-2.3 3,-1.1 -5,-0.2 4,-0.3 0.951 114.4 47.2 -65.1 -49.3 18.2 -3.0 -28.1 72 73 A M H >X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 3,-2.0 0.802 94.1 76.4 -62.1 -30.4 20.6 -2.6 -25.1 73 74 A E H 3< S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 92.7 54.3 -53.5 -27.2 23.7 -2.1 -27.3 74 75 A R T << S+ 0 0 74 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.707 126.4 15.5 -77.9 -21.4 22.6 1.5 -28.0 75 76 A Y T <4 S+ 0 0 90 -3,-2.0 -28,-0.4 -4,-0.3 -2,-0.2 0.683 101.0 84.9-124.4 -40.1 22.3 2.4 -24.3 76 77 A A < - 0 0 1 -4,-3.1 -28,-0.2 1,-0.1 3,-0.1 -0.488 62.9-139.6 -81.5 153.2 24.0 0.1 -21.8 77 78 A V S S- 0 0 0 -30,-2.1 2,-0.3 1,-0.2 -29,-0.2 0.710 84.2 -26.3 -77.3 -23.0 27.6 0.3 -20.8 78 79 A G E -b 48 0A 0 -31,-0.9 -29,-1.9 26,-0.1 2,-0.4 -0.956 64.8-110.1-170.9 178.2 27.6 -3.6 -20.9 79 80 A L E -bc 49 106A 1 26,-2.5 28,-3.1 -2,-0.3 2,-0.5 -0.949 11.3-151.6-124.7 144.7 25.4 -6.7 -20.5 80 81 A V E -bc 50 107A 0 -31,-2.6 -29,-3.1 -2,-0.4 2,-0.5 -0.972 18.6-165.9-109.8 124.2 25.4 -9.3 -17.7 81 82 A I E -bc 51 108A 0 26,-2.7 28,-2.4 -2,-0.5 2,-0.3 -0.962 14.0-136.6-115.1 122.9 24.2 -12.7 -19.1 82 83 A L E + c 0 109A 5 -31,-2.5 9,-0.9 -2,-0.5 28,-0.2 -0.557 26.6 171.0 -74.5 133.6 23.1 -15.4 -16.7 83 84 A T + 0 0 0 26,-2.2 2,-0.3 -2,-0.3 9,-0.2 0.420 40.5 114.7-119.5 2.4 24.4 -18.9 -17.6 84 85 A E - 0 0 2 25,-0.7 6,-2.9 1,-0.1 4,-0.3 -0.542 50.7-161.8 -75.7 133.1 23.4 -20.7 -14.4 85 86 A E S > S+ 0 0 92 -2,-0.3 4,-0.8 4,-0.3 -1,-0.1 0.862 70.2 45.4 -91.0 -40.9 20.7 -23.2 -15.5 86 87 A K T 4 S+ 0 0 109 2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.914 125.0 23.8 -78.1 -43.5 18.7 -24.5 -12.5 87 88 A Y T 4 S+ 0 0 55 1,-0.1 -1,-0.2 -33,-0.1 -2,-0.1 0.657 137.0 29.8 -97.4 -20.6 17.9 -21.4 -10.6 88 89 A F T 4 S- 0 0 20 -4,-0.3 -34,-1.1 -33,-0.1 -35,-0.7 0.420 90.9-132.4-116.3 -3.0 18.2 -18.8 -13.5 89 90 A N < + 0 0 70 -4,-0.8 -4,-0.3 -36,-0.2 -3,-0.1 0.766 57.0 149.2 52.9 27.8 17.2 -20.9 -16.5 90 91 A G - 0 0 4 -6,-2.9 2,-0.3 -36,-0.1 -7,-0.3 -0.309 27.8-165.6 -81.9 172.7 20.3 -19.5 -18.3 91 92 A S >> - 0 0 27 -9,-0.9 4,-1.3 1,-0.1 3,-0.5 -0.990 35.8-120.4-154.4 152.2 22.4 -21.2 -20.9 92 93 A Y H 3> S+ 0 0 18 -2,-0.3 4,-2.6 -9,-0.2 5,-0.1 0.849 113.0 64.9 -60.7 -26.9 25.7 -20.9 -22.6 93 94 A E H 3> S+ 0 0 149 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.866 96.7 55.4 -68.6 -31.7 23.8 -20.6 -25.9 94 95 A D H <> S+ 0 0 5 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.939 110.3 45.0 -59.1 -49.1 22.3 -17.3 -24.7 95 96 A L H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.931 112.8 51.2 -60.6 -44.7 25.7 -15.9 -24.1 96 97 A R H X S+ 0 0 79 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.925 111.3 46.8 -59.8 -46.9 27.0 -17.2 -27.5 97 98 A K H X S+ 0 0 98 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.893 116.3 44.2 -61.1 -43.4 24.1 -15.7 -29.4 98 99 A I H >X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 3,-1.4 0.953 112.4 50.9 -72.0 -43.9 24.5 -12.3 -27.7 99 100 A A H 3< S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.849 110.0 51.5 -61.3 -31.9 28.3 -12.2 -27.9 100 101 A S H 3< S+ 0 0 92 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.670 114.3 45.6 -78.0 -17.0 28.1 -13.0 -31.6 101 102 A S H << S+ 0 0 39 -3,-1.4 2,-0.3 -4,-0.6 -2,-0.2 0.632 110.3 39.7-100.1 -26.3 25.6 -10.1 -32.1 102 103 A V < - 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