==== 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 HYDROLASE 09-JAN-12 4AE8 . COMPND 2 MOLECULE: THIOESTERASE SUPERFAMILY MEMBER 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.ZHURAVLEVA,H.GUT,D.HYNX,D.MARCELLIN,C.K.E.BLECK,C.GENOUD,P . 666 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 82.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 255 38.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 4 0.6 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 . 77 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 0 0 0 0 0 0 3 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 10 1 3 1 2 0 4 5 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 4 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 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 42 A I 0 0 225 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.0 22.1 -46.6 2.6 2 43 A L - 0 0 116 1,-0.1 2,-0.4 36,-0.0 36,-0.0 -0.515 360.0-115.0 -73.7 138.7 21.9 -43.0 3.9 3 44 A K - 0 0 115 36,-0.5 36,-0.7 -2,-0.2 2,-0.6 -0.619 19.7-131.4 -78.4 128.4 20.9 -42.6 7.5 4 45 A D B -A 38 0A 30 -2,-0.4 34,-0.2 34,-0.2 3,-0.2 -0.704 22.6-174.2 -75.3 119.9 17.7 -40.8 8.1 5 46 A C + 0 0 6 32,-3.9 2,-0.9 -2,-0.6 52,-0.3 0.485 63.3 88.0 -97.0 -6.8 18.5 -38.2 10.8 6 47 A S S S+ 0 0 2 31,-0.4 -1,-0.2 50,-0.1 52,-0.1 -0.257 76.3 81.6 -92.0 49.4 14.9 -37.0 11.3 7 48 A V S S- 0 0 41 -2,-0.9 50,-0.1 -3,-0.2 13,-0.0 -0.920 91.8 -70.8-144.5 162.5 14.2 -39.6 14.0 8 49 A P + 0 0 43 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.193 47.4 173.3 -59.2 145.7 14.9 -39.8 17.7 9 50 A N > - 0 0 11 -4,-0.0 3,-2.0 43,-0.0 -4,-0.0 -0.864 52.0 -87.1-138.3 174.9 18.4 -40.3 19.0 10 51 A P T 3 S+ 0 0 128 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.650 121.3 64.9 -63.0 -12.9 19.8 -40.3 22.6 11 52 A S T 3 S+ 0 0 31 2,-0.1 2,-0.3 64,-0.0 45,-0.1 0.609 76.3 111.0 -80.8 -11.6 20.3 -36.5 22.4 12 53 A W < - 0 0 10 -3,-2.0 2,-0.0 1,-0.1 39,-0.0 -0.468 67.1-131.4 -72.4 124.0 16.6 -35.8 22.1 13 54 A N >> - 0 0 60 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.340 24.5-109.8 -68.7 157.2 15.0 -34.1 25.1 14 55 A K H 3> S+ 0 0 137 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.824 116.7 55.3 -62.9 -34.2 11.8 -35.6 26.5 15 56 A D H 3> S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.878 108.7 48.6 -68.2 -33.2 9.6 -32.7 25.4 16 57 A L H <> S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.905 111.3 50.9 -69.3 -40.2 10.9 -33.1 21.8 17 58 A R H X S+ 0 0 83 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.922 110.4 48.9 -62.8 -42.2 10.2 -36.8 22.0 18 59 A L H X S+ 0 0 94 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.921 113.3 45.6 -63.8 -46.2 6.6 -36.2 23.2 19 60 A L H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.885 110.5 54.7 -65.6 -38.0 5.9 -33.7 20.5 20 61 A F H X S+ 0 0 18 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.939 107.8 50.5 -56.2 -47.6 7.4 -36.1 17.9 21 62 A D H X S+ 0 0 91 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.886 108.1 52.6 -58.0 -40.7 5.0 -38.8 19.2 22 63 A Q H X S+ 0 0 114 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.936 111.8 45.1 -63.3 -44.4 2.1 -36.4 18.8 23 64 A F H X S+ 0 0 12 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.849 108.2 55.9 -71.8 -31.3 3.0 -35.6 15.2 24 65 A M H >< S+ 0 0 78 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.916 107.4 51.8 -63.2 -38.1 3.7 -39.3 14.3 25 66 A K H >< S+ 0 0 127 -4,-2.0 3,-1.5 1,-0.3 4,-0.3 0.885 103.7 56.5 -64.2 -38.8 0.1 -39.9 15.5 26 67 A K H 3< S+ 0 0 78 -4,-1.7 6,-0.9 1,-0.3 3,-0.4 0.700 99.0 62.7 -64.5 -18.9 -1.1 -37.1 13.2 27 68 A C T X< S+ 0 0 27 -4,-0.8 3,-1.8 -3,-0.8 -1,-0.3 0.628 78.8 90.8 -77.6 -14.3 0.5 -39.0 10.3 28 69 A E T < S+ 0 0 143 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.863 89.0 41.4 -51.7 -46.3 -1.9 -41.9 11.0 29 70 A D T 3 S- 0 0 120 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.444 115.1-111.9 -87.4 1.9 -4.6 -40.7 8.6 30 71 A G S < S+ 0 0 60 -3,-1.8 -2,-0.1 2,-0.2 -3,-0.1 0.373 90.1 112.6 87.5 -6.0 -2.1 -39.7 5.9 31 72 A S S S+ 0 0 54 -5,-0.4 32,-0.7 31,-0.1 33,-0.4 0.910 80.1 39.7 -64.1 -43.2 -2.8 -36.0 6.3 32 73 A W E S-B 62 0B 23 -6,-0.9 2,-0.4 30,-0.2 -2,-0.2 -0.772 71.1-166.7-105.1 153.2 0.7 -35.4 7.7 33 74 A K E -B 61 0B 136 28,-1.7 28,-2.9 -2,-0.3 2,-0.4 -0.998 19.8-127.8-139.4 134.1 3.9 -37.0 6.6 34 75 A R E -B 60 0B 54 -2,-0.4 26,-0.2 26,-0.2 -28,-0.0 -0.685 25.5-135.3 -78.0 132.8 7.3 -37.1 8.3 35 76 A L E -B 59 0B 18 24,-2.6 24,-0.6 -2,-0.4 2,-0.1 -0.814 12.6-133.2 -90.7 118.7 10.2 -36.0 6.0 36 77 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 -32,-0.1 -0.417 19.1-159.5 -58.1 144.1 13.3 -38.1 6.0 37 78 A S - 0 0 17 -2,-0.1 -32,-3.9 2,-0.0 -31,-0.4 -0.995 11.8-163.5-132.0 127.1 16.5 -36.0 6.3 38 79 A Y B A 4 0A 111 -2,-0.4 6,-0.2 -34,-0.2 -34,-0.2 -0.686 360.0 360.0-115.0 160.3 19.8 -37.5 5.2 39 80 A K 0 0 86 -36,-0.7 -36,-0.5 -2,-0.2 9,-0.1 -0.890 360.0 360.0-152.2 360.0 23.6 -37.0 5.5 40 ! 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 41 107 A Q 0 0 208 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-173.0 33.2 -32.4 0.9 42 108 A A + 0 0 44 205,-0.1 2,-0.3 204,-0.1 204,-0.2 -0.203 360.0 177.2 -57.7 137.7 29.9 -30.6 0.7 43 109 A Q - 0 0 54 202,-1.9 205,-1.0 -4,-0.1 2,-0.1 -0.992 41.4 -91.9-140.6 145.4 27.3 -31.4 3.4 44 110 A L B > -o 248 0C 60 -2,-0.3 3,-1.9 -6,-0.2 205,-0.2 -0.400 38.2-132.0 -56.5 125.0 23.9 -30.0 4.2 45 111 A F G > S+ 0 0 0 203,-3.0 3,-1.4 1,-0.3 -1,-0.1 0.863 102.9 52.5 -48.1 -47.8 24.5 -27.2 6.7 46 112 A T G 3 S+ 0 0 4 202,-0.3 -1,-0.3 1,-0.3 9,-0.2 0.558 112.7 44.7 -74.0 -5.2 21.8 -28.4 9.1 47 113 A R G < S+ 0 0 5 -3,-1.9 -1,-0.3 199,-0.1 -2,-0.2 0.076 82.5 101.0-121.2 24.6 23.1 -31.9 9.3 48 114 A S < + 0 0 15 -3,-1.4 2,-0.3 198,-0.2 -2,-0.1 0.310 66.7 78.1 -98.1 9.4 26.8 -31.1 9.7 49 115 A F S S- 0 0 17 6,-0.2 3,-0.1 -3,-0.2 169,-0.0 -0.852 84.0-106.6-114.2 153.6 27.0 -31.7 13.4 50 116 A D >> - 0 0 126 -2,-0.3 3,-1.4 1,-0.2 4,-0.9 -0.307 65.6 -59.3 -68.7 163.1 27.3 -34.9 15.4 51 117 A D T 34 S- 0 0 81 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 -0.156 120.1 -1.7 -52.6 125.2 24.2 -36.0 17.3 52 118 A G T 34 S+ 0 0 12 -3,-0.1 -1,-0.2 3,-0.1 4,-0.1 0.028 111.0 87.7 91.6 -26.2 23.0 -33.4 19.9 53 119 A L T <4 S+ 0 0 27 -3,-1.4 24,-2.5 22,-0.2 25,-0.3 0.825 99.7 8.5 -76.3 -33.2 25.7 -30.8 19.3 54 120 A G S < S- 0 0 0 -4,-0.9 21,-2.9 1,-0.2 2,-0.6 0.276 117.9 -7.2-116.8-125.1 24.0 -28.9 16.5 55 121 A F E - C 0 74B 6 -9,-0.2 2,-0.5 19,-0.2 -1,-0.2 -0.742 52.5-177.7 -84.3 118.7 20.6 -28.9 14.8 56 122 A E E + C 0 73B 4 17,-1.8 17,-3.0 -2,-0.6 2,-0.3 -0.981 28.9 137.7-110.6 123.0 18.3 -31.7 16.0 57 123 A Y E - C 0 72B 10 -2,-0.5 2,-0.3 -52,-0.3 15,-0.2 -0.988 37.5-161.0-159.5 163.2 15.1 -31.5 14.1 58 124 A V E - C 0 71B 0 13,-1.6 13,-2.7 -2,-0.3 2,-0.4 -0.965 17.1-144.7-147.8 138.0 12.3 -33.3 12.2 59 125 A M E -BC 35 70B 5 -24,-0.6 -24,-2.6 -2,-0.3 2,-0.4 -0.866 7.3-165.6-106.6 142.7 9.8 -31.9 9.7 60 126 A F E -BC 34 69B 0 9,-3.0 9,-2.9 -2,-0.4 2,-0.4 -0.994 11.3-157.2-122.7 129.1 6.2 -32.9 9.2 61 127 A Y E -BC 33 68B 12 -28,-2.9 -28,-1.7 -2,-0.4 2,-0.6 -0.895 11.8-165.3-112.3 132.7 4.3 -31.8 6.1 62 128 A N E >> -BC 32 67B 4 5,-2.9 5,-2.1 -2,-0.4 4,-0.9 -0.943 7.8-170.4-112.4 106.4 0.6 -31.4 5.6 63 129 A D T 45S+ 0 0 82 -32,-0.7 3,-0.4 -2,-0.6 -1,-0.1 0.870 82.1 52.8 -70.1 -39.2 -0.0 -31.2 1.9 64 130 A I T 45S+ 0 0 149 -33,-0.4 -1,-0.2 1,-0.2 -32,-0.1 0.910 118.0 39.6 -64.2 -36.2 -3.7 -30.2 1.9 65 131 A E T 45S- 0 0 87 -34,-0.2 -1,-0.2 2,-0.1 69,-0.2 0.584 101.6-133.0 -81.7 -12.6 -2.9 -27.4 4.3 66 132 A K T <5 + 0 0 71 -4,-0.9 68,-2.9 -3,-0.4 2,-0.4 0.940 61.1 143.3 52.0 49.1 0.4 -26.4 2.5 67 133 A R E < -CD 62 133B 52 -5,-2.1 -5,-2.9 66,-0.2 2,-0.5 -0.948 38.9-165.0-126.0 136.4 1.8 -26.4 6.0 68 134 A M E -CD 61 132B 0 64,-1.9 64,-2.8 -2,-0.4 2,-0.5 -0.989 3.3-166.4-125.2 126.0 5.2 -27.5 7.3 69 135 A V E -CD 60 131B 4 -9,-2.9 -9,-3.0 -2,-0.5 2,-0.5 -0.938 3.7-165.9-108.9 129.3 6.0 -28.0 11.0 70 136 A C E -CD 59 130B 0 60,-2.8 60,-3.0 -2,-0.5 2,-0.6 -0.966 9.3-154.9-113.8 127.0 9.5 -28.3 12.2 71 137 A L E -CD 58 129B 0 -13,-2.7 -13,-1.6 -2,-0.5 2,-0.4 -0.887 25.7-175.3 -95.0 126.4 10.4 -29.6 15.7 72 138 A F E -CD 57 128B 3 56,-2.7 56,-2.9 -2,-0.6 2,-0.5 -0.979 24.6-177.3-136.5 126.4 13.8 -28.2 16.6 73 139 A Q E -CD 56 127B 8 -17,-3.0 -17,-1.8 -2,-0.4 2,-0.6 -0.978 22.7-147.4-119.9 114.7 16.2 -28.6 19.5 74 140 A G E -C 55 0B 0 52,-1.3 51,-2.3 -2,-0.5 52,-0.2 -0.739 15.7-145.3 -90.2 121.0 19.2 -26.4 19.2 75 141 A G > - 0 0 1 -21,-2.9 3,-2.1 -2,-0.6 -22,-0.2 -0.109 30.8 -88.7 -81.3 177.0 22.4 -27.9 20.7 76 142 A P G > S+ 0 0 15 0, 0.0 136,-2.2 0, 0.0 3,-0.9 0.713 120.0 63.3 -60.1 -24.3 25.4 -26.3 22.5 77 143 A Y G 3 S+ 0 0 54 -24,-2.5 140,-0.2 1,-0.2 -23,-0.1 0.414 91.0 69.0 -82.8 3.3 27.3 -25.6 19.3 78 144 A L G < S+ 0 0 0 -3,-2.1 8,-3.2 -25,-0.3 11,-0.2 0.155 72.8 140.9-101.1 16.4 24.6 -23.2 18.2 79 145 A E B < +Qr 85 213D 30 133,-1.2 135,-2.8 -3,-0.9 136,-0.3 -0.305 16.5 158.3 -65.2 142.5 25.3 -20.6 20.8 80 146 A G S S+ 0 0 17 4,-2.6 6,-0.2 1,-0.8 -1,-0.1 0.334 71.1 24.5-117.8-100.5 25.1 -16.8 20.1 81 147 A P S > S- 0 0 45 0, 0.0 3,-2.8 0, 0.0 -1,-0.8 -0.446 115.9 -76.8 -59.8 141.9 24.6 -14.7 23.2 82 148 A P T 3 S+ 0 0 46 0, 0.0 3,-0.1 0, 0.0 131,-0.0 -0.180 120.2 7.5 -45.3 120.6 25.8 -16.7 26.2 83 149 A G T 3 S+ 0 0 36 1,-0.2 41,-2.7 -3,-0.1 2,-0.3 0.414 116.3 90.0 89.3 -2.6 23.2 -19.3 27.0 84 150 A F B < S-S 123 0E 71 -3,-2.8 -4,-2.6 39,-0.3 2,-0.3 -0.897 82.2 -93.8-131.5 156.8 21.0 -18.7 24.0 85 151 A I B -Q 79 0D 6 37,-3.0 37,-0.4 -2,-0.3 -6,-0.2 -0.510 48.7-107.1 -70.1 129.9 20.6 -19.9 20.4 86 152 A H >> - 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