==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-SEP-11 3U0A . COMPND 2 MOLECULE: ACYL-COA THIOESTERASE II TESB2; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM; . AUTHOR T.L.ARAKAKI,B.L.STAKER,M.CLIFTON,B.SANKARAN,SEATTLE STRUCTUR . 508 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 71.1 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 . 196 38.6 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 41 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 0 0 0 0 0 1 0 2 0 0 1 0 0 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 . 2 2 2 6 4 2 1 2 5 2 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 0 0 0 0 0 0 2 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 A > 0 0 90 0, 0.0 3,-2.9 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -41.1 27.4 16.1 45.9 2 3 A I G > + 0 0 4 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.760 360.0 61.9 -48.4 -30.8 26.9 18.1 42.5 3 4 A E G > S+ 0 0 87 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.697 88.7 70.3 -70.7 -21.6 29.2 20.9 43.8 4 5 A E G X S+ 0 0 51 -3,-2.9 3,-0.9 1,-0.2 -1,-0.3 0.712 82.3 72.3 -69.5 -18.5 32.1 18.6 44.0 5 6 A I G < S+ 0 0 2 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.858 96.6 51.7 -61.2 -31.0 32.2 18.4 40.2 6 7 A L G < S+ 0 0 40 -3,-0.9 2,-1.0 -4,-0.3 -1,-0.2 0.661 85.4 99.5 -80.6 -13.7 33.6 22.0 40.4 7 8 A D < + 0 0 110 -3,-0.9 12,-0.4 -4,-0.3 2,-0.4 -0.624 49.5 158.2 -81.3 99.8 36.3 20.9 42.8 8 9 A L - 0 0 10 -2,-1.0 2,-0.4 10,-0.1 10,-0.2 -0.990 36.2-138.9-123.8 135.6 39.5 20.5 40.7 9 10 A E E -A 17 0A 104 8,-2.5 8,-2.2 -2,-0.4 2,-0.7 -0.744 21.9-136.2 -82.5 133.5 43.1 20.6 41.8 10 11 A Q E +A 16 0A 95 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.823 23.4 179.0 -96.3 119.2 45.3 22.5 39.3 11 12 A L E - 0 0 67 4,-1.3 2,-0.3 -2,-0.7 5,-0.2 0.744 66.0 -33.9 -86.6 -29.1 48.5 20.7 38.6 12 13 A E E > S-A 15 0A 124 3,-1.6 3,-2.2 0, 0.0 -1,-0.3 -0.940 93.3 -45.0-173.4 174.4 49.9 23.2 36.1 13 14 A V T 3 S+ 0 0 81 -2,-0.3 3,-0.1 1,-0.3 28,-0.0 -0.344 131.0 1.7 -54.0 129.4 48.7 25.5 33.3 14 15 A N T 3 S+ 0 0 41 1,-0.1 55,-2.2 23,-0.1 2,-0.4 0.619 113.3 100.2 65.7 13.8 46.1 23.5 31.3 15 16 A I E < +AB 12 68A 61 -3,-2.2 -3,-1.6 53,-0.2 -4,-1.3 -0.990 45.1 167.5-131.0 123.5 46.5 20.4 33.5 16 17 A Y E -AB 10 67A 6 51,-2.2 51,-2.9 -2,-0.4 2,-0.4 -0.851 19.7-147.5-130.8 162.2 43.8 19.7 36.2 17 18 A R E -AB 9 66A 94 -8,-2.2 -8,-2.5 -2,-0.3 2,-0.4 -0.997 0.8-155.0-138.6 131.4 43.0 16.7 38.4 18 19 A G E - B 0 65A 1 47,-2.9 47,-2.0 -2,-0.4 -10,-0.1 -0.855 28.1-119.6-100.5 139.4 39.7 15.5 39.8 19 20 A S 0 0 78 -12,-0.4 44,-0.1 -2,-0.4 -12,-0.0 -0.443 360.0 360.0 -84.2 155.8 39.8 13.4 42.9 20 21 A V 0 0 115 42,-0.1 -1,-0.2 -2,-0.1 42,-0.1 0.080 360.0 360.0 -30.8 360.0 38.6 9.8 43.3 21 ! 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 22 29 A L > 0 0 111 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 140.2 27.0 2.7 38.4 23 30 A Q H > + 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.830 360.0 60.6 -80.3 -32.4 29.0 3.5 35.2 24 31 A R H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.853 104.4 53.7 -60.2 -35.0 26.7 6.2 33.9 25 32 A T H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 108.8 46.0 -66.3 -48.3 27.4 8.2 37.1 26 33 A F H X S+ 0 0 28 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.936 112.3 52.4 -60.9 -47.5 31.2 8.0 36.7 27 34 A G H X S+ 0 0 9 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.910 109.2 48.6 -54.2 -44.9 30.9 9.0 33.1 28 35 A G H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.863 112.4 49.3 -65.0 -38.7 28.7 12.1 33.9 29 36 A H H X S+ 0 0 49 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.962 112.1 47.3 -58.4 -56.2 31.1 13.2 36.6 30 37 A V H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.865 112.9 49.0 -57.2 -41.7 34.1 12.8 34.3 31 38 A A H X S+ 0 0 4 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.908 112.3 48.4 -66.2 -42.2 32.4 14.7 31.5 32 39 A G H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.906 112.7 47.2 -65.1 -43.5 31.4 17.5 33.9 33 40 A Q H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.895 106.8 57.8 -69.5 -37.1 34.8 17.8 35.3 34 41 A S H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.900 110.2 45.0 -55.2 -41.8 36.3 17.8 31.8 35 42 A L H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 3,-0.3 0.919 108.6 54.8 -67.8 -42.8 34.1 20.9 31.1 36 43 A V H X S+ 0 0 5 -4,-2.3 4,-1.5 1,-0.3 -2,-0.2 0.887 106.8 53.2 -59.5 -38.2 35.0 22.6 34.4 37 44 A S H X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -1,-0.3 0.840 108.3 49.1 -60.2 -40.4 38.6 22.2 33.3 38 45 A A H >< S+ 0 0 0 -4,-1.2 3,-1.3 -3,-0.3 -2,-0.2 0.935 108.2 54.8 -61.9 -45.5 37.8 23.9 30.0 39 46 A V H >< S+ 0 0 35 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.784 99.7 59.9 -64.0 -30.5 36.1 26.7 31.9 40 47 A R H 3< S+ 0 0 112 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.702 104.4 50.0 -74.1 -17.0 39.1 27.5 34.1 41 48 A T T << S+ 0 0 6 -3,-1.3 2,-0.5 -4,-0.5 -1,-0.3 0.295 97.9 90.9 -99.8 3.5 41.3 28.3 31.1 42 49 A V S < S- 0 0 11 -3,-1.2 32,-0.0 -4,-0.2 39,-0.0 -0.899 84.4-113.6-110.0 128.2 38.6 30.6 29.6 43 50 A D > - 0 0 91 -2,-0.5 3,-2.3 1,-0.1 -2,-0.1 -0.380 30.6-131.4 -42.5 121.5 38.3 34.4 30.1 44 51 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.646 100.4 79.0 -70.1 -11.8 35.0 34.6 32.0 45 52 A R T 3 S+ 0 0 62 56,-0.0 2,-0.5 1,-0.0 57,-0.4 0.708 90.6 66.7 -55.9 -22.9 33.7 37.4 29.7 46 53 A Y S < S- 0 0 36 -3,-2.3 2,-0.4 55,-0.1 55,-0.3 -0.911 76.7-161.1-106.0 126.9 33.0 34.3 27.4 47 54 A Q E -C 100 0A 97 53,-2.7 53,-2.3 -2,-0.5 -2,-0.0 -0.856 26.1-100.1-112.1 143.7 30.4 31.9 28.6 48 55 A V E +C 99 0A 18 -2,-0.4 51,-0.2 51,-0.2 3,-0.1 -0.183 42.4 162.3 -60.5 145.7 29.9 28.4 27.4 49 56 A H E + 0 0 3 49,-2.3 156,-1.8 1,-0.4 2,-0.3 0.466 60.2 18.5-140.6 -18.3 27.3 27.6 24.8 50 57 A S E +CD 98 204A 0 48,-1.1 48,-1.7 154,-0.2 -1,-0.4 -0.984 51.2 177.0-151.6 160.6 28.0 24.2 23.3 51 58 A L E -CD 97 203A 5 152,-1.8 152,-2.8 -2,-0.3 2,-0.3 -0.949 5.2-171.6-159.5 152.2 30.0 21.1 23.9 52 59 A H E +CD 96 202A 7 44,-2.7 44,-3.1 -2,-0.3 2,-0.3 -0.986 16.5 168.0-140.9 136.6 30.5 17.7 22.2 53 60 A G E -CD 95 201A 2 148,-2.8 148,-1.4 -2,-0.3 2,-0.5 -1.000 27.3-134.7-153.6 166.6 32.3 14.7 23.6 54 61 A Y E -CD 94 200A 14 40,-3.2 40,-2.0 -2,-0.3 2,-1.0 -0.951 15.6-140.0-122.1 123.9 33.0 11.0 23.2 55 62 A F E +C 93 0A 26 144,-2.2 38,-0.2 -2,-0.5 3,-0.1 -0.713 31.6 169.3 -82.5 103.2 32.9 8.4 26.0 56 63 A L + 0 0 5 36,-1.6 2,-0.3 -2,-1.0 37,-0.2 0.918 52.7 7.9 -87.9 -44.8 35.9 6.4 25.0 57 64 A R - 0 0 88 35,-2.3 -1,-0.2 1,-0.1 35,-0.0 -0.933 62.6-117.7-143.6 160.3 36.5 4.1 28.0 58 65 A S - 0 0 72 -2,-0.3 -1,-0.1 1,-0.1 34,-0.1 0.868 45.7-169.9 -65.7 -42.9 35.0 2.9 31.4 59 66 A G - 0 0 33 1,-0.1 2,-0.4 28,-0.1 -1,-0.1 -0.275 30.1 -82.5 75.7-173.9 37.8 4.2 33.7 60 67 A D > - 0 0 89 3,-0.1 3,-1.6 4,-0.1 -1,-0.1 -0.979 22.3-154.8-130.4 118.5 38.2 3.3 37.4 61 68 A A T 3 S+ 0 0 54 -2,-0.4 4,-0.1 1,-0.3 -1,-0.1 0.593 95.0 63.6 -72.6 -6.5 36.2 5.3 39.9 62 69 A Q T 3 S+ 0 0 168 -42,-0.1 -1,-0.3 2,-0.1 -42,-0.1 0.253 96.6 67.8 -93.7 9.3 38.8 4.4 42.6 63 70 A E S < S- 0 0 35 -3,-1.6 -3,-0.1 -44,-0.1 2,-0.1 -0.921 86.6-115.7-120.7 150.6 41.5 6.3 40.7 64 71 A P - 0 0 57 0, 0.0 2,-0.4 0, 0.0 -45,-0.2 -0.361 27.8-131.3 -72.9 168.8 41.8 10.1 40.1 65 72 A T E -B 18 0A 6 -47,-2.0 -47,-2.9 22,-0.1 2,-0.4 -0.957 7.8-148.2-125.9 143.4 41.5 11.7 36.7 66 73 A V E -BE 17 86A 40 20,-2.1 20,-3.2 -2,-0.4 2,-0.5 -0.907 10.4-148.6-111.2 138.9 43.7 14.2 35.0 67 74 A F E -BE 16 85A 0 -51,-2.9 -51,-2.2 -2,-0.4 2,-0.7 -0.940 4.1-160.7-116.1 121.2 42.3 16.7 32.5 68 75 A L E -BE 15 84A 72 16,-2.3 16,-1.6 -2,-0.5 2,-0.3 -0.888 12.5-160.0-105.5 105.2 44.5 18.0 29.7 69 76 A V E - E 0 83A 12 -55,-2.2 2,-0.4 -2,-0.7 14,-0.2 -0.652 5.6-161.0 -90.8 137.8 43.1 21.2 28.2 70 77 A E E - E 0 82A 71 12,-3.0 12,-1.9 -2,-0.3 2,-1.7 -0.985 17.2-139.6-117.5 124.6 44.1 22.5 24.7 71 78 A R E + E 0 81A 113 -2,-0.4 10,-0.2 1,-0.2 3,-0.1 -0.614 31.0 175.2 -86.1 85.9 43.5 26.2 24.0 72 79 A T E - 0 0 20 -2,-1.7 2,-0.3 8,-0.7 -1,-0.2 0.897 59.2 -4.9 -71.5 -41.2 42.2 25.5 20.5 73 80 A R E - E 0 80A 33 7,-1.7 7,-2.9 -3,-0.2 2,-0.3 -0.985 50.9-171.9-153.1 137.0 41.2 29.1 19.6 74 81 A D E + E 0 79A 91 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.830 28.9 152.5-129.6 93.1 41.1 32.4 21.4 75 82 A G - 0 0 32 3,-2.5 -2,-0.0 -2,-0.3 0, 0.0 -0.308 57.5 -87.1-108.0-165.1 39.4 35.1 19.3 76 83 A G S S+ 0 0 66 -2,-0.1 3,-0.1 1,-0.1 24,-0.0 0.790 119.6 12.6 -77.4 -32.5 37.4 38.3 20.0 77 84 A S S S+ 0 0 26 1,-0.2 24,-1.9 23,-0.1 2,-0.4 0.641 126.5 44.5-115.8 -31.3 33.9 36.7 20.3 78 85 A F E - F 0 100A 19 22,-0.2 -3,-2.5 234,-0.1 2,-0.4 -0.951 53.0-172.0-126.4 140.0 34.5 33.0 20.6 79 86 A V E -EF 74 99A 2 20,-2.6 20,-3.1 -2,-0.4 2,-0.4 -0.976 12.9-160.8-123.1 141.1 37.0 30.8 22.5 80 87 A T E -EF 73 98A 2 -7,-2.9 -7,-1.7 -2,-0.4 -8,-0.7 -0.987 6.6-172.8-125.2 140.0 37.3 27.1 21.9 81 88 A R E -EF 71 97A 1 16,-2.4 16,-1.9 -2,-0.4 2,-0.4 -0.942 11.5-159.0-125.3 147.0 38.7 24.4 24.1 82 89 A R E -EF 70 96A 26 -12,-1.9 -12,-3.0 -2,-0.3 2,-0.4 -0.963 16.1-168.9-116.0 145.0 39.5 20.6 23.7 83 90 A V E -EF 69 95A 1 12,-2.2 12,-2.3 -2,-0.4 2,-0.5 -1.000 12.9-163.9-134.8 136.3 39.9 18.4 26.8 84 91 A N E -EF 68 94A 26 -16,-1.6 -16,-2.3 -2,-0.4 2,-0.5 -0.983 12.5-150.9-114.6 120.7 41.2 14.9 27.3 85 92 A A E -EF 67 93A 0 8,-2.5 7,-2.7 -2,-0.5 8,-1.2 -0.821 25.0-163.0 -90.2 125.9 40.3 13.1 30.6 86 93 A V E +EF 66 91A 29 -20,-3.2 -20,-2.1 -2,-0.5 2,-0.3 -0.921 22.8 177.3-123.2 137.9 43.1 10.7 31.3 87 94 A Q E > S- F 0 90A 19 3,-2.2 3,-1.5 -2,-0.4 -22,-0.1 -0.963 77.4 -16.1-136.9 123.6 43.6 7.6 33.5 88 95 A H T 3 S- 0 0 198 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.902 129.5 -50.1 49.3 47.4 46.8 5.5 33.6 89 96 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.470 115.7 113.4 82.1 2.1 47.9 6.9 30.3 90 97 A E E < - 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