==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-FEB-09 3GEK . COMPND 2 MOLECULE: PUTATIVE THIOESTERASE YHDA; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS SUBSP. LACTIS; . AUTHOR A.P.KUZIN,M.SU,R.SEETHARAMAN,D.LEE,E.L.FOOTE,C.CICCOSANTI,H. . 507 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 80.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 227 44.8 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 . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 58 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 0 0 0 2 3 5 3 6 1 2 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 0 0 0 2 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 X 0 0 177 0, 0.0 420,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 89.6 -6.2 -10.4 -24.2 2 2 A N > - 0 0 40 418,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.244 360.0 -91.2 -76.2 173.6 -2.4 -10.6 -24.2 3 3 A X H > S+ 0 0 0 418,-2.3 4,-1.7 1,-0.2 419,-0.1 0.892 124.2 57.0 -52.4 -47.4 -0.2 -8.6 -21.8 4 4 A I H 4 S+ 0 0 30 417,-0.4 5,-0.5 419,-0.3 4,-0.3 0.913 111.7 40.6 -51.4 -51.2 0.1 -5.7 -24.2 5 5 A D H >4 S+ 0 0 97 1,-0.2 3,-1.5 -3,-0.2 -1,-0.2 0.871 111.6 56.1 -70.0 -37.8 -3.7 -5.2 -24.4 6 6 A Q H 3< S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.750 92.4 71.4 -67.7 -23.6 -4.3 -5.8 -20.7 7 7 A L T 3< S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.745 98.5-140.7 -59.8 -24.0 -1.8 -3.0 -19.9 8 8 A N < - 0 0 75 -3,-1.5 27,-1.9 -4,-0.3 2,-0.5 0.965 22.9-170.7 57.8 57.1 -4.5 -0.6 -21.2 9 9 A I E -A 34 0A 40 -5,-0.5 2,-0.3 25,-0.2 25,-0.2 -0.707 12.3-177.3 -76.9 123.4 -2.3 1.8 -23.1 10 10 A T E +A 33 0A 41 23,-3.5 23,-2.7 -2,-0.5 0, 0.0 -0.769 47.4 21.0-121.2 164.7 -4.5 4.8 -24.1 11 11 A D E S- 0 0 87 -2,-0.3 2,-0.3 21,-0.2 -1,-0.2 0.791 71.5-178.5 53.2 37.7 -4.1 8.1 -26.0 12 12 A F E + 0 0 62 -3,-0.2 2,-0.3 20,-0.1 20,-0.2 -0.543 9.0 159.9 -71.7 127.4 -1.1 7.0 -28.0 13 13 A Q E -A 31 0A 116 18,-2.2 18,-2.7 -2,-0.3 2,-0.4 -0.966 25.4-160.3-149.0 136.1 0.3 9.7 -30.4 14 14 A V E +A 30 0A 47 -2,-0.3 2,-0.3 16,-0.2 16,-0.3 -0.936 29.3 155.6-113.0 137.9 3.7 10.3 -32.0 15 15 A F E -A 29 0A 77 14,-3.0 14,-2.9 -2,-0.4 2,-0.3 -0.975 36.3-125.9-157.2 161.5 4.5 13.8 -33.3 16 16 A T E -A 28 0A 62 -2,-0.3 12,-0.2 12,-0.2 2,-0.1 -0.839 36.5-105.9-110.3 155.3 7.1 16.4 -34.3 17 17 A D - 0 0 31 10,-1.0 3,-0.4 -2,-0.3 4,-0.2 -0.476 24.2-122.8 -73.0 151.4 7.3 19.9 -32.9 18 18 A E S > S+ 0 0 164 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.748 111.1 63.9 -64.1 -25.3 6.3 22.8 -35.2 19 19 A N G > S+ 0 0 131 1,-0.2 3,-0.7 2,-0.1 4,-0.2 0.896 91.7 61.1 -65.0 -42.4 9.8 24.2 -34.8 20 20 A S G > S+ 0 0 2 -3,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.519 78.2 103.1 -61.5 -8.0 11.5 21.2 -36.4 21 21 A D G < S+ 0 0 121 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.877 87.6 27.3 -44.1 -61.2 9.6 22.0 -39.6 22 22 A K G < S+ 0 0 199 -3,-0.7 -1,-0.3 -4,-0.2 2,-0.1 0.388 105.3 95.5 -93.5 2.1 12.3 23.7 -41.7 23 23 A F S < S- 0 0 132 -3,-0.9 3,-0.1 -4,-0.2 -3,-0.0 -0.459 71.7-134.4 -90.7 160.0 15.3 21.8 -40.0 24 24 A V S S+ 0 0 148 1,-0.2 2,-1.0 -2,-0.1 -1,-0.1 0.888 95.8 62.0 -79.8 -37.7 17.0 18.6 -41.3 25 25 A S S S- 0 0 96 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.760 81.8-154.0 -93.6 96.5 17.0 16.9 -37.9 26 26 A K - 0 0 84 -2,-1.0 2,-0.7 -3,-0.1 -5,-0.1 -0.462 10.9-131.1 -71.8 138.7 13.4 16.5 -36.9 27 27 A I - 0 0 75 -10,-0.2 -10,-1.0 -2,-0.2 2,-0.4 -0.843 25.9-161.4 -95.2 111.4 12.6 16.2 -33.2 28 28 A Y E +A 16 0A 57 -2,-0.7 71,-2.9 71,-0.3 2,-0.3 -0.770 14.2 170.3 -98.4 135.6 10.3 13.3 -32.6 29 29 A K E -AB 15 98A 71 -14,-2.9 -14,-3.0 -2,-0.4 2,-0.3 -0.928 14.6-156.6-134.3 157.7 8.2 12.8 -29.5 30 30 A F E -AB 14 97A 2 67,-1.6 67,-2.4 -2,-0.3 2,-0.3 -0.969 3.2-163.8-132.4 157.8 5.4 10.5 -28.3 31 31 A S E +AB 13 96A 25 -18,-2.7 -18,-2.2 -2,-0.3 2,-0.3 -0.947 18.7 147.6-130.8 152.9 2.6 10.7 -25.7 32 32 A S E - B 0 95A 4 63,-0.6 63,-2.1 -2,-0.3 2,-0.3 -0.967 28.6-137.2-171.7 167.7 0.4 8.1 -24.0 33 33 A K E -AB 10 94A 66 -23,-2.7 -23,-3.5 -2,-0.3 2,-0.4 -0.944 7.1-151.1-129.8 153.2 -1.4 7.1 -20.9 34 34 A X E -AB 9 93A 0 59,-2.4 59,-1.7 -2,-0.3 2,-0.5 -0.970 14.8-144.2-125.6 117.5 -1.8 3.8 -19.0 35 35 A I E - B 0 92A 71 -27,-1.9 57,-0.2 -2,-0.4 2,-0.2 -0.693 23.7-136.5 -84.0 121.4 -5.0 3.3 -17.1 36 36 A L + 0 0 16 55,-2.4 55,-0.4 -2,-0.5 2,-0.2 -0.525 33.6 152.3 -89.8 140.5 -4.3 1.4 -13.8 37 37 A S > - 0 0 53 -2,-0.2 3,-1.4 53,-0.1 4,-0.2 -0.736 66.6 -73.7-135.6-168.8 -6.1 -1.5 -12.2 38 38 A D G > S+ 0 0 107 1,-0.3 3,-1.7 -2,-0.2 354,-0.2 0.733 122.5 76.3 -61.9 -25.0 -5.1 -4.4 -9.9 39 39 A F G 3 S+ 0 0 5 1,-0.3 353,-1.9 352,-0.2 354,-0.3 0.858 97.9 44.8 -49.8 -38.4 -3.5 -5.9 -13.0 40 40 A H G < S+ 0 0 1 -3,-1.4 8,-3.1 351,-0.1 -1,-0.3 0.413 93.8 114.8 -90.4 0.1 -0.7 -3.4 -12.6 41 41 A A B < -L 47 0B 18 -3,-1.7 352,-0.3 6,-0.2 6,-0.2 -0.372 49.7-153.3 -81.0 147.9 -0.2 -3.8 -8.8 42 42 A Q > - 0 0 22 4,-2.1 3,-2.9 -2,-0.1 4,-0.2 -0.738 47.1 -82.6-106.8 167.0 2.7 -5.1 -6.8 43 43 A P T 3 S+ 0 0 105 0, 0.0 -2,-0.1 0, 0.0 5,-0.0 0.655 126.8 49.7 -45.5 -29.3 2.3 -6.8 -3.3 44 44 A Q T 3 S- 0 0 59 2,-0.1 3,-0.1 3,-0.0 -3,-0.0 0.308 120.4-100.4 -97.5 7.3 2.2 -3.5 -1.4 45 45 A G S < S+ 0 0 37 -3,-2.9 44,-2.3 1,-0.3 2,-0.2 0.505 83.2 120.7 91.6 5.1 -0.5 -1.8 -3.5 46 46 A F B S-M 88 0C 69 42,-0.3 -4,-2.1 -4,-0.2 2,-0.4 -0.475 77.1 -78.0 -92.5 167.5 1.9 0.4 -5.6 47 47 A L B -L 41 0B 12 40,-4.2 40,-0.3 -6,-0.2 -6,-0.2 -0.546 52.9-119.1 -65.0 123.6 2.4 0.4 -9.4 48 48 A N >> - 0 0 3 -8,-3.1 4,-1.3 -2,-0.4 3,-0.5 -0.450 9.9-138.5 -65.8 135.4 4.5 -2.5 -10.3 49 49 A G H 3> S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.806 101.8 63.9 -67.4 -31.6 7.8 -1.5 -12.0 50 50 A G H 3> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.841 100.9 51.6 -58.8 -37.4 7.4 -4.3 -14.5 51 51 A A H <> S+ 0 0 0 -3,-0.5 4,-2.4 -11,-0.2 -1,-0.2 0.906 111.5 46.2 -66.1 -45.2 4.3 -2.7 -15.9 52 52 A S H X S+ 0 0 2 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.895 112.8 50.5 -62.7 -44.3 6.1 0.7 -16.3 53 53 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.936 112.8 46.3 -56.8 -49.5 9.1 -1.1 -17.9 54 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 378,-0.2 5,-0.2 0.881 110.0 54.1 -62.3 -41.1 6.7 -2.9 -20.3 55 55 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.902 110.6 47.3 -57.9 -43.7 4.8 0.4 -21.0 56 56 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.920 114.0 44.7 -66.0 -47.6 8.1 2.1 -22.0 57 57 A E H X S+ 0 0 16 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.887 116.7 47.0 -65.2 -39.1 9.3 -0.7 -24.3 58 58 A I H X S+ 0 0 16 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.906 114.4 43.9 -71.7 -45.1 5.9 -1.1 -25.9 59 59 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.853 112.7 52.8 -69.2 -36.8 5.3 2.7 -26.6 60 60 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.922 111.0 48.0 -61.7 -44.7 8.9 3.2 -27.8 61 61 A G H X S+ 0 0 13 -4,-1.8 4,-2.1 2,-0.2 13,-0.3 0.864 112.2 48.6 -62.3 -40.5 8.3 0.3 -30.2 62 62 A X H X S+ 0 0 82 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.913 113.3 47.3 -65.8 -44.9 5.0 1.8 -31.4 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.911 112.0 49.6 -62.0 -47.3 6.6 5.2 -31.8 64 64 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.916 111.7 48.7 -58.8 -46.9 9.6 3.9 -33.8 65 65 A N H X S+ 0 0 43 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.880 110.1 51.6 -61.4 -41.4 7.3 1.8 -36.1 66 66 A A H < S+ 0 0 49 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.873 110.3 49.0 -62.1 -41.0 5.1 4.9 -36.7 67 67 A I H < S+ 0 0 28 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.908 118.3 39.4 -64.2 -45.3 8.2 7.0 -37.6 68 68 A G H >< S- 0 0 3 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.917 85.5-170.6 -71.3 -46.3 9.5 4.4 -40.0 69 69 A S T 3< S- 0 0 96 -4,-3.1 2,-0.4 1,-0.2 -3,-0.1 0.967 74.3 -23.4 47.1 85.6 6.2 3.3 -41.5 70 70 A G T 3 S+ 0 0 68 2,-0.4 -1,-0.2 -5,-0.2 3,-0.1 0.031 121.4 92.4 78.7 -29.9 7.0 0.2 -43.6 71 71 A Q S < S- 0 0 141 -3,-1.0 2,-0.3 -2,-0.4 -1,-0.1 0.919 102.5 -14.0 -59.4 -45.8 10.6 1.2 -44.0 72 72 A Y - 0 0 32 60,-0.2 -2,-0.4 -7,-0.2 2,-0.4 -0.951 58.8-126.6-150.5 164.7 11.6 -0.8 -40.9 73 73 A F E -C 131 0A 104 58,-2.5 58,-3.3 -2,-0.3 2,-0.4 -0.966 28.4-130.5-117.4 142.9 10.3 -2.6 -37.8 74 74 A A E -C 130 0A 10 -2,-0.4 2,-0.4 -13,-0.3 56,-0.2 -0.747 20.1-173.2-101.1 136.8 11.6 -1.9 -34.3 75 75 A F E -C 129 0A 59 54,-2.5 54,-3.8 -2,-0.4 2,-0.2 -0.993 33.3-108.0-129.9 129.9 12.7 -4.5 -31.8 76 76 A G E +C 128 0A 10 -2,-0.4 52,-0.2 52,-0.2 3,-0.1 -0.384 44.5 161.2 -58.1 119.6 13.7 -3.8 -28.1 77 77 A Q E + 0 0 33 50,-2.7 388,-2.6 1,-0.4 2,-0.3 0.735 62.8 11.0-106.3 -39.9 17.4 -4.1 -27.8 78 78 A S E -CD 127 464A 9 49,-2.1 49,-2.5 386,-0.2 -1,-0.4 -0.993 55.0-178.6-147.1 146.9 18.1 -2.3 -24.6 79 79 A I E -CD 126 463A 2 384,-2.2 384,-2.9 -2,-0.3 2,-0.4 -0.963 1.1-178.8-151.1 128.6 16.3 -0.8 -21.6 80 80 A N E -CD 125 462A 11 45,-2.5 45,-2.7 -2,-0.3 2,-0.4 -0.999 11.7-178.7-126.3 131.9 17.5 1.1 -18.5 81 81 A A E -CD 124 461A 0 380,-3.1 380,-2.3 -2,-0.4 2,-0.5 -0.980 18.2-166.1-132.8 142.5 15.1 2.4 -15.8 82 82 A N E -CD 123 460A 9 41,-2.5 41,-2.3 -2,-0.4 2,-0.8 -0.996 16.9-148.1-121.8 120.2 15.4 4.3 -12.6 83 83 A H E +C 122 0A 23 376,-3.3 39,-0.3 -2,-0.5 38,-0.1 -0.828 24.6 170.4 -89.8 110.1 12.3 4.2 -10.4 84 84 A L + 0 0 8 37,-2.0 38,-0.2 -2,-0.8 -1,-0.2 0.889 57.0 18.7 -89.8 -47.1 12.3 7.6 -8.6 85 85 A N S S- 0 0 61 36,-1.7 -1,-0.2 34,-0.1 2,-0.2 -0.971 77.9-109.7-133.6 142.9 8.9 7.9 -6.8 86 86 A P - 0 0 81 0, 0.0 2,-0.5 0, 0.0 36,-0.0 -0.487 25.9-156.2 -73.9 140.8 6.3 5.4 -5.7 87 87 A K - 0 0 18 -40,-0.3 -40,-4.2 -2,-0.2 2,-0.2 -0.976 16.0-131.3-117.4 117.8 2.9 5.4 -7.5 88 88 A K B -M 46 0C 121 -2,-0.5 2,-2.2 -42,-0.3 -42,-0.3 -0.492 36.1-107.9 -61.7 134.5 -0.1 4.0 -5.7 89 89 A C S S+ 0 0 23 -44,-2.3 2,-0.3 -2,-0.2 -1,-0.1 -0.433 84.7 90.4 -76.9 77.4 -1.8 1.6 -8.2 90 90 A E S S+ 0 0 104 -2,-2.2 2,-0.3 -50,-0.1 -53,-0.1 -0.968 73.9 11.6-160.7 159.8 -4.9 3.7 -9.1 91 91 A G S S- 0 0 40 -55,-0.4 -55,-2.4 -2,-0.3 2,-0.3 -0.550 97.1 -61.8 70.4-126.0 -5.9 6.3 -11.7 92 92 A F E -B 35 0A 67 -2,-0.3 24,-0.6 -57,-0.2 2,-0.3 -0.977 32.4-140.6-153.6 161.1 -3.3 6.6 -14.5 93 93 A V E -BE 34 115A 0 -59,-1.7 -59,-2.4 -2,-0.3 2,-0.4 -0.907 19.4-129.9-120.2 156.0 0.3 7.4 -15.5 94 94 A N E -BE 33 114A 10 20,-3.1 20,-2.2 -2,-0.3 2,-0.5 -0.834 11.5-162.0-100.2 141.6 1.7 9.3 -18.5 95 95 A A E +BE 32 113A 0 -63,-2.1 -63,-0.6 -2,-0.4 2,-0.4 -0.990 15.2 178.2-120.7 119.4 4.5 8.0 -20.7 96 96 A R E -BE 31 112A 90 16,-2.0 16,-2.7 -2,-0.5 2,-0.3 -0.979 8.2-160.5-125.5 135.0 6.2 10.6 -22.8 97 97 A G E -BE 30 111A 5 -67,-2.4 -67,-1.6 -2,-0.4 2,-0.4 -0.865 13.0-166.0-119.7 148.0 9.1 10.0 -25.1 98 98 A L E -BE 29 110A 49 12,-2.2 12,-3.2 -2,-0.3 2,-0.8 -0.998 25.5-130.9-126.6 127.0 11.8 12.1 -26.8 99 99 A L E + E 0 109A 17 -71,-2.9 -71,-0.3 -2,-0.4 10,-0.2 -0.684 25.8 178.3 -79.5 110.3 13.8 10.6 -29.6 100 100 A L E S+ 0 0 26 8,-2.7 2,-0.3 -2,-0.8 -1,-0.2 0.750 71.2 24.2 -83.5 -27.3 17.5 11.3 -28.7 101 101 A K E - 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