==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-NOV-08 3F5O . COMPND 2 MOLECULE: THIOESTERASE SUPERFAMILY MEMBER 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.XU,W.GONG . 1098 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 866 78.9 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 . 433 39.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 . 62 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 0 0 0 0 0 0 0 0 2 3 3 0 0 8 0 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 . 16 0 0 0 11 1 8 8 16 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 0 0 0 4 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 T > 0 0 130 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 167.4 -0.5 2.1 9.5 2 3 A S H > + 0 0 93 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.875 360.0 55.2 -61.8 -34.8 2.2 -0.5 8.6 3 4 A M H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 107.8 46.4 -65.8 -47.3 4.8 2.3 8.6 4 5 A T H > S+ 0 0 13 28,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.920 113.4 50.7 -58.6 -44.6 3.9 3.4 12.1 5 6 A Q H X S+ 0 0 123 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.913 111.0 48.3 -61.3 -44.3 4.0 -0.3 13.2 6 7 A S H X S+ 0 0 74 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.941 114.2 45.3 -59.9 -50.8 7.4 -0.8 11.6 7 8 A L H X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.905 108.1 57.4 -64.2 -39.5 8.9 2.3 13.2 8 9 A R H X S+ 0 0 106 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.890 109.1 46.1 -55.0 -43.2 7.4 1.5 16.6 9 10 A E H X S+ 0 0 84 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.852 109.7 54.1 -71.1 -36.4 9.2 -1.9 16.6 10 11 A V H X S+ 0 0 71 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.923 112.3 45.4 -59.1 -45.7 12.5 -0.2 15.4 11 12 A I H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.954 111.5 49.6 -63.6 -52.8 12.3 2.2 18.4 12 13 A K H < S+ 0 0 113 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.920 115.7 44.9 -54.0 -47.0 11.4 -0.5 21.0 13 14 A A H >< S+ 0 0 69 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.909 113.9 47.2 -62.5 -47.5 14.3 -2.6 19.8 14 15 A M H >< S+ 0 0 48 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.802 107.1 56.7 -71.9 -27.8 16.9 0.2 19.6 15 16 A T T 3< S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.2 10,-0.2 0.488 91.1 72.0 -83.1 -3.9 16.1 1.7 23.0 16 17 A K T < S+ 0 0 157 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.545 78.8 103.6 -86.3 -7.2 16.7 -1.5 25.0 17 18 A A S < S- 0 0 40 -3,-0.8 170,-0.0 -4,-0.2 -3,-0.0 -0.041 81.1-120.5 -72.2 169.8 20.5 -1.3 24.5 18 19 A R S S+ 0 0 147 3,-0.1 -1,-0.1 4,-0.0 167,-0.1 0.569 87.6 94.9 -82.0 -11.4 23.2 -0.3 27.0 19 20 A N S > S- 0 0 11 165,-0.1 3,-1.7 1,-0.1 164,-0.2 0.042 101.2 -84.2 -75.5-176.8 24.2 2.5 24.6 20 21 A F G > S+ 0 0 0 165,-2.2 3,-2.0 162,-0.5 4,-0.2 0.739 117.9 77.2 -64.3 -23.0 23.0 6.1 24.6 21 22 A E G > S+ 0 0 10 164,-0.6 3,-1.7 1,-0.3 -1,-0.3 0.749 78.8 77.1 -59.1 -23.2 19.8 5.2 22.6 22 23 A R G X S+ 0 0 62 -3,-1.7 3,-2.2 1,-0.3 -1,-0.3 0.770 75.8 72.8 -55.5 -30.1 18.5 3.9 26.0 23 24 A V G < S+ 0 0 1 -3,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.640 94.1 54.7 -67.3 -11.8 17.8 7.5 27.2 24 25 A L G X S+ 0 0 1 -3,-1.7 3,-2.4 -4,-0.2 -1,-0.3 0.220 72.2 116.2 -99.1 12.5 14.8 7.6 24.8 25 26 A G T < S+ 0 0 37 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.745 71.4 55.3 -54.3 -30.1 13.3 4.4 26.3 26 27 A K T 3 S+ 0 0 91 -3,-0.3 16,-0.3 -4,-0.2 -1,-0.3 0.471 81.7 113.3 -85.5 -3.1 10.2 6.3 27.5 27 28 A I < - 0 0 15 -3,-2.4 2,-0.4 14,-0.1 14,-0.2 -0.416 51.2-154.3 -72.5 150.1 9.2 7.8 24.1 28 29 A T E -A 40 0A 78 12,-2.9 12,-2.5 -2,-0.1 2,-0.5 -0.927 13.1-128.0-118.8 144.4 6.0 6.6 22.4 29 30 A L E +A 39 0A 12 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.827 24.1 176.3 -93.1 127.8 5.3 6.7 18.7 30 31 A V E - 0 0 64 8,-3.0 2,-0.3 -2,-0.5 9,-0.2 0.884 66.8 -17.3 -90.3 -53.0 2.1 8.5 17.5 31 32 A S E -A 38 0A 40 7,-1.6 7,-2.6 -27,-0.1 2,-0.4 -0.990 46.2-157.9-155.2 144.7 2.5 8.2 13.7 32 33 A A E +A 37 0A 5 -2,-0.3 -28,-0.4 5,-0.2 5,-0.2 -0.992 27.2 158.4-118.7 131.8 5.1 7.6 11.0 33 34 A A E > -A 36 0A 42 3,-2.4 3,-2.6 -2,-0.4 40,-0.1 -0.925 56.4 -56.0-142.0 167.2 4.5 8.9 7.5 34 35 A P T 3 S- 0 0 111 0, 0.0 40,-0.2 0, 0.0 71,-0.1 -0.252 123.5 -14.1 -51.6 116.8 6.6 9.7 4.5 35 36 A G T 3 S+ 0 0 11 38,-2.4 70,-2.4 35,-0.5 2,-0.3 0.581 123.1 88.3 68.3 14.3 9.1 12.3 5.8 36 37 A K E < +AB 33 104A 100 -3,-2.6 -3,-2.4 37,-0.2 2,-0.4 -0.960 46.9 178.7-149.4 128.7 7.2 13.0 9.0 37 38 A V E -AB 32 103A 0 66,-2.5 66,-2.8 -2,-0.3 2,-0.5 -0.981 8.3-164.3-132.6 135.3 7.3 11.4 12.5 38 39 A I E +AB 31 102A 33 -7,-2.6 -8,-3.0 -2,-0.4 -7,-1.6 -0.989 15.7 168.8-123.3 122.1 5.4 12.3 15.6 39 40 A C E -AB 29 101A 0 62,-2.6 62,-2.9 -2,-0.5 2,-0.3 -0.807 15.5-153.5-121.0 165.0 6.4 11.0 19.0 40 41 A E E -AB 28 100A 42 -12,-2.5 -12,-2.9 -2,-0.3 2,-0.3 -0.937 9.9-178.3-137.3 160.2 5.4 11.8 22.6 41 42 A M E - B 0 99A 4 58,-1.8 58,-2.9 -2,-0.3 2,-0.5 -0.951 24.2-134.4-158.6 139.7 7.0 11.6 26.0 42 43 A K E - B 0 98A 97 -16,-0.3 2,-0.5 -2,-0.3 56,-0.2 -0.857 34.1-121.2 -94.7 129.1 6.1 12.3 29.6 43 44 A V + 0 0 1 54,-2.8 53,-3.2 -2,-0.5 2,-0.2 -0.620 41.7 173.2 -73.7 116.9 8.9 14.2 31.4 44 45 A E > - 0 0 77 -2,-0.5 3,-2.1 51,-0.2 4,-0.3 -0.661 49.8 -87.0-114.6 176.2 10.1 12.2 34.4 45 46 A E G > S+ 0 0 88 1,-0.3 3,-2.1 -2,-0.2 112,-0.5 0.890 124.8 59.8 -50.0 -45.4 13.0 12.6 36.8 46 47 A E G 3 S+ 0 0 49 1,-0.3 -1,-0.3 110,-0.2 113,-0.1 0.653 105.3 51.5 -59.5 -15.1 15.4 10.7 34.5 47 48 A H G < S+ 0 0 0 -3,-2.1 8,-2.6 109,-0.1 -1,-0.3 0.439 96.8 94.6 -98.9 -3.8 14.8 13.4 31.8 48 49 A T B < -L 54 0B 7 -3,-2.1 109,-2.7 -4,-0.3 110,-0.6 -0.422 61.3-136.3-101.1 164.1 15.4 16.4 34.0 49 50 A N > - 0 0 28 4,-2.2 3,-1.7 107,-0.2 -1,-0.1 -0.282 53.7 -75.3 -94.4-168.5 18.3 18.8 34.8 50 51 A A T 3 S+ 0 0 84 1,-0.3 -2,-0.0 -2,-0.1 5,-0.0 0.599 131.3 53.0 -72.6 -12.0 19.2 20.1 38.3 51 52 A I T 3 S- 0 0 120 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.223 118.0-105.5-107.6 13.2 16.2 22.5 38.2 52 53 A G S < S+ 0 0 30 -3,-1.7 43,-1.7 1,-0.3 2,-0.3 0.696 81.9 114.5 77.8 17.9 13.5 19.9 37.4 53 54 A T B S-M 94 0C 26 41,-0.2 -4,-2.2 1,-0.1 -1,-0.3 -0.773 81.7 -70.7-113.6 166.3 12.9 20.8 33.8 54 55 A L B -L 48 0B 12 39,-2.9 -6,-0.2 -2,-0.3 2,-0.2 -0.312 60.1-111.5 -54.9 127.6 13.6 18.8 30.6 55 56 A H >> - 0 0 3 -8,-2.6 4,-2.1 1,-0.1 3,-1.0 -0.504 15.1-134.3 -70.4 128.4 17.4 18.7 30.2 56 57 A G H 3> S+ 0 0 10 1,-0.3 4,-2.0 -2,-0.2 -1,-0.1 0.781 106.3 54.1 -49.7 -34.3 18.6 20.7 27.2 57 58 A G H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 141,-0.3 0.802 107.0 50.2 -73.7 -28.5 20.9 17.8 26.1 58 59 A L H <> S+ 0 0 0 -3,-1.0 4,-3.0 2,-0.2 -2,-0.2 0.886 107.7 53.6 -74.5 -37.2 17.9 15.4 26.1 59 60 A T H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.942 110.5 47.7 -56.0 -44.7 16.0 18.0 24.0 60 61 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.903 110.7 51.4 -63.1 -40.2 19.0 17.9 21.5 61 62 A T H X S+ 0 0 0 -4,-1.9 4,-2.9 133,-0.2 5,-0.3 0.912 109.1 50.1 -65.0 -42.9 18.9 14.1 21.7 62 63 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.4 0.927 111.4 49.3 -57.6 -47.1 15.2 14.0 20.9 63 64 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 5,-0.3 0.949 113.9 46.0 -55.9 -53.4 15.8 16.4 17.9 64 65 A D H X S+ 0 0 4 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.945 119.4 38.3 -57.9 -52.9 18.7 14.2 16.6 65 66 A N H X S+ 0 0 15 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.929 116.2 48.2 -68.2 -44.8 16.9 10.9 16.9 66 67 A I H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.883 112.6 49.1 -70.6 -36.9 13.4 11.8 15.9 67 68 A S H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.4 -1,-0.2 0.915 109.0 54.1 -62.7 -40.2 14.6 13.7 12.8 68 69 A T H X S+ 0 0 27 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.922 106.5 52.2 -61.3 -38.8 16.7 10.6 11.9 69 70 A M H X S+ 0 0 8 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.888 105.4 54.5 -63.4 -38.8 13.5 8.5 12.2 70 71 A A H < S+ 0 0 0 -4,-1.8 -35,-0.5 1,-0.2 -1,-0.2 0.884 107.0 51.8 -62.3 -39.5 11.8 10.9 9.7 71 72 A L H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 6,-0.5 0.852 104.1 55.9 -64.1 -34.7 14.7 10.3 7.3 72 73 A L H 3< S+ 0 0 68 -4,-1.7 2,-0.8 1,-0.3 -1,-0.2 0.837 97.9 66.1 -66.2 -31.8 14.2 6.5 7.6 73 74 A C T 3< S+ 0 0 7 -4,-1.4 -38,-2.4 -5,-0.1 2,-0.3 -0.259 89.4 88.1 -82.7 43.6 10.6 7.0 6.5 74 75 A T S < S- 0 0 30 -2,-0.8 -3,-0.0 -3,-0.6 0, 0.0 -0.899 90.5-108.5-131.8 166.6 11.6 8.1 3.1 75 76 A E S S+ 0 0 192 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.930 123.8 49.4 -59.7 -44.9 12.3 6.3 -0.2 76 77 A R S S- 0 0 112 1,-0.1 -1,-0.2 2,-0.1 -4,-0.1 0.945 86.6-174.5 -57.5 -49.7 16.1 7.1 0.2 77 78 A G + 0 0 25 -6,-0.5 -5,-0.1 1,-0.2 -1,-0.1 0.630 23.8 146.7 66.3 17.1 15.7 5.7 3.7 78 79 A A - 0 0 19 -7,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.712 40.0-156.8 -84.9 129.2 19.3 6.6 4.7 79 80 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.818 31.6-171.0 -74.8 -25.9 19.7 7.7 8.3 80 81 A G - 0 0 20 57,-0.3 2,-0.3 55,-0.1 57,-0.2 0.011 23.9 -83.9 68.5-179.8 22.9 9.7 7.6 81 82 A V E -C 136 0A 86 55,-1.8 55,-2.9 145,-0.0 57,-0.1 -0.965 47.6 -95.3-125.4 146.7 25.4 11.2 10.1 82 83 A S E +C 135 0A 26 -2,-0.3 53,-0.3 53,-0.2 3,-0.1 -0.352 42.8 163.9 -66.8 138.8 25.0 14.6 11.8 83 84 A V E S+ 0 0 3 51,-3.0 143,-2.7 1,-0.4 2,-0.4 0.664 70.2 2.8-113.3 -54.0 26.7 17.6 10.2 84 85 A D E +CD 134 225A 8 50,-1.6 50,-3.0 141,-0.2 -1,-0.4 -1.000 62.1 175.1-138.9 133.2 25.0 20.7 11.8 85 86 A M E -CD 133 224A 3 139,-2.6 139,-2.5 -2,-0.4 2,-0.3 -0.990 2.6-179.2-138.1 138.2 22.3 20.9 14.4 86 87 A N E -CD 132 223A 9 46,-2.3 46,-1.7 -2,-0.3 2,-0.3 -0.930 3.9-169.6-132.3 152.3 20.8 23.9 16.2 87 88 A I E -CD 131 222A 1 135,-2.4 135,-2.7 -2,-0.3 2,-0.4 -0.988 8.3-159.6-142.2 140.1 18.2 24.2 18.8 88 89 A T E -CD 130 221A 0 42,-2.7 42,-2.1 -2,-0.3 2,-0.6 -0.984 13.4-148.0-121.9 131.2 16.3 27.2 20.2 89 90 A Y E +C 129 0A 27 131,-2.8 40,-0.2 -2,-0.4 39,-0.1 -0.906 25.1 164.7-108.1 112.6 14.7 26.9 23.7 90 91 A M + 0 0 13 38,-2.3 39,-0.2 -2,-0.6 -1,-0.1 0.751 63.9 4.1 -99.9 -35.3 11.5 28.9 24.0 91 92 A S S S- 0 0 15 37,-1.8 -1,-0.3 35,-0.1 2,-0.2 -0.988 76.8-102.1-152.6 147.9 9.8 27.5 27.2 92 93 A P - 0 0 83 0, 0.0 2,-0.6 0, 0.0 37,-0.0 -0.486 20.2-142.1 -72.1 142.8 10.6 24.9 29.9 93 94 A A - 0 0 2 -39,-0.2 -39,-2.9 -2,-0.2 2,-0.1 -0.943 29.7-145.8 -98.8 117.2 9.1 21.5 29.9 94 95 A K B > -M 53 0C 105 -2,-0.6 3,-2.4 -41,-0.2 -51,-0.3 -0.436 26.3 -80.1 -85.6 153.6 8.4 20.7 33.5 95 96 A L T 3 S+ 0 0 106 -43,-1.7 -51,-0.2 1,-0.2 -1,-0.2 -0.222 119.5 21.8 -42.3 128.7 8.5 17.4 35.4 96 97 A G T 3 S+ 0 0 32 -53,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.250 93.1 129.7 90.0 -12.1 5.2 15.5 34.7 97 98 A E < - 0 0 35 -3,-2.4 -54,-2.8 -55,-0.1 2,-0.4 -0.512 55.6-130.6 -73.8 142.1 4.4 17.3 31.4 98 99 A D E -B 42 0A 77 -56,-0.2 24,-2.6 -2,-0.2 25,-0.5 -0.789 28.0-167.7 -90.3 132.3 3.5 15.4 28.2 99 100 A I E -BE 41 121A 0 -58,-2.9 -58,-1.8 -2,-0.4 2,-0.4 -0.865 14.0-146.0-118.5 154.5 5.5 16.7 25.2 100 101 A V E -BE 40 120A 19 20,-2.7 20,-2.6 -2,-0.3 2,-0.6 -0.976 8.1-159.6-117.7 132.8 5.0 16.0 21.5 101 102 A I E -BE 39 119A 0 -62,-2.9 -62,-2.6 -2,-0.4 2,-0.6 -0.969 10.1-172.8-115.2 116.3 8.1 15.8 19.2 102 103 A T E -BE 38 118A 32 16,-2.7 16,-2.3 -2,-0.6 2,-0.4 -0.945 3.7-177.7-115.3 115.9 7.3 16.4 15.6 103 104 A A E +BE 37 117A 0 -66,-2.8 -66,-2.5 -2,-0.6 2,-0.3 -0.915 1.9 178.2-115.3 136.4 10.0 15.9 13.0 104 105 A H E -BE 36 116A 78 12,-2.6 12,-2.4 -2,-0.4 2,-0.5 -0.980 30.9-117.6-139.2 152.1 9.8 16.5 9.3 105 106 A V E - 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