==== 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 HYDROLASE 14-MAR-08 3CK1 . COMPND 2 MOLECULE: PUTATIVE THIOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA EUTROPHA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 286 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 2 0.7 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 . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 2 0 1 2 2 2 2 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 2 0 0 0 0 0 0 0 0 1 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 0 A G 0 0 120 0, 0.0 138,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-160.2 2.5 48.8 -7.5 2 1 A X + 0 0 103 2,-0.0 3,-0.1 0, 0.0 137,-0.0 0.350 360.0 119.6-100.3 -0.4 2.4 52.0 -4.8 3 2 A T S S- 0 0 58 1,-0.1 134,-0.2 134,-0.1 2,-0.1 -0.270 75.6 -91.5 -49.2 158.3 -1.2 52.0 -4.0 4 3 A A - 0 0 30 132,-2.6 2,-0.4 134,-0.1 80,-0.3 -0.399 33.6-163.3 -86.4 154.8 -1.4 51.4 -0.3 5 4 A V - 0 0 43 -2,-0.1 2,-0.5 78,-0.1 78,-0.2 -0.961 13.6-143.3-121.8 145.6 -1.8 48.3 1.7 6 5 A F E -A 82 0A 26 76,-2.0 76,-2.5 -2,-0.4 2,-0.4 -0.964 28.8-177.0-107.5 129.7 -2.9 48.2 5.4 7 6 A R E +A 81 0A 146 -2,-0.5 2,-0.3 74,-0.2 74,-0.2 -0.982 17.1 140.9-132.3 143.3 -1.2 45.5 7.5 8 7 A N E -A 80 0A 37 72,-2.0 72,-3.4 -2,-0.4 2,-0.3 -0.938 35.4-111.4-159.5-177.6 -1.1 44.0 10.9 9 8 A T E -A 79 0A 87 -2,-0.3 2,-0.3 70,-0.2 70,-0.2 -0.823 17.0-164.8-120.5 162.2 -0.8 40.7 12.7 10 9 A V E -A 78 0A 21 68,-2.3 68,-3.1 -2,-0.3 2,-0.4 -0.993 17.8-132.1-146.8 132.7 -3.0 38.5 14.8 11 10 A L E -A 77 0A 68 -2,-0.3 2,-0.6 66,-0.2 66,-0.2 -0.762 23.4-125.2 -83.2 130.1 -2.2 35.6 17.1 12 11 A V - 0 0 1 64,-3.2 63,-2.5 -2,-0.4 2,-0.2 -0.693 40.7-165.5 -75.4 118.3 -4.3 32.4 16.7 13 12 A R > - 0 0 134 -2,-0.6 3,-1.7 61,-0.2 4,-0.5 -0.615 36.2-103.7-109.0 167.6 -5.7 31.7 20.2 14 13 A F G > S+ 0 0 173 1,-0.3 3,-1.3 -2,-0.2 7,-0.1 0.870 119.1 59.5 -57.3 -36.7 -7.4 29.0 22.1 15 14 A K G 3 S+ 0 0 144 1,-0.3 -1,-0.3 8,-0.0 -3,-0.0 0.703 104.2 52.6 -67.0 -20.8 -10.7 30.8 21.8 16 15 A H G < S+ 0 0 9 -3,-1.7 8,-2.5 2,-0.1 2,-0.3 0.544 97.4 82.1 -86.7 -15.2 -10.4 30.5 17.9 17 16 A C B < -L 23 0B 25 -3,-1.3 6,-0.2 -4,-0.5 56,-0.1 -0.763 63.0-137.3-111.1 148.1 -9.7 26.8 17.6 18 17 A D > - 0 0 70 4,-2.7 3,-2.4 -2,-0.3 -1,-0.1 -0.006 54.7 -71.1 -79.2-171.7 -11.7 23.6 17.5 19 18 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.622 134.1 54.1 -62.3 -16.7 -10.9 20.3 19.3 20 19 A A T 3 S- 0 0 63 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.391 118.7-109.1 -95.7 -3.5 -8.0 19.8 16.9 21 20 A G S < S+ 0 0 17 -3,-2.4 53,-2.4 1,-0.3 2,-0.3 0.796 79.1 131.2 76.4 28.0 -6.4 23.2 17.6 22 21 A I B -M 73 0C 25 51,-0.2 -4,-2.7 49,-0.0 -1,-0.3 -0.857 67.9 -91.9-111.6 148.3 -7.4 24.4 14.1 23 22 A V B -L 17 0B 13 49,-2.6 2,-0.4 -2,-0.3 -6,-0.3 -0.394 33.0-136.5 -71.6 131.2 -9.3 27.7 13.4 24 23 A F >> - 0 0 50 -8,-2.5 3,-2.0 -2,-0.2 4,-0.7 -0.694 23.6-123.0 -83.6 126.8 -13.1 27.4 13.4 25 24 A Y H >> S+ 0 0 20 -2,-0.4 4,-1.0 1,-0.3 3,-0.9 0.764 105.7 57.7 -56.2 -36.3 -14.3 29.5 10.4 26 25 A P H 3> S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-0.4 0.850 102.3 61.6 -59.4 -27.2 -16.7 31.9 12.1 27 26 A R H <> S+ 0 0 56 -3,-2.0 4,-1.9 1,-0.3 -2,-0.2 0.821 94.4 59.3 -69.8 -31.9 -13.6 32.9 14.2 28 27 A Y H S+ 0 0 50 -4,-2.3 4,-3.2 2,-0.2 5,-0.6 0.916 108.9 52.4 -60.9 -47.1 -8.2 48.6 13.0 39 38 A W H X>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 4,-1.6 0.940 111.0 47.9 -57.2 -46.1 -8.1 50.0 9.5 40 39 A F H <5S+ 0 0 0 -4,-2.7 6,-2.7 3,-0.2 4,-0.2 0.921 117.5 41.1 -61.3 -43.3 -10.9 52.6 10.3 41 40 A A H <5S+ 0 0 38 -4,-2.4 4,-0.2 4,-0.2 -2,-0.2 0.926 127.4 28.8 -72.3 -46.9 -9.2 53.7 13.6 42 41 A Q H <5S+ 0 0 147 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.927 133.3 23.1 -82.2 -49.6 -5.6 53.8 12.4 43 42 A A T < - 0 0 40 0, 0.0 4,-2.9 0, 0.0 3,-0.4 -0.223 30.9-114.3 -62.9 154.1 -12.8 54.7 14.8 48 47 A F H > S+ 0 0 27 -11,-0.2 4,-2.8 1,-0.2 5,-0.3 0.808 114.3 59.3 -59.5 -32.0 -15.8 52.4 15.5 49 48 A D H > S+ 0 0 130 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.953 112.2 38.3 -63.1 -45.7 -16.5 54.1 18.9 50 49 A A H 4>S+ 0 0 40 -3,-0.4 5,-2.5 1,-0.2 6,-0.3 0.920 116.9 52.8 -69.5 -45.4 -16.9 57.5 17.2 51 50 A X H <5S+ 0 0 0 -4,-2.9 6,-2.6 1,-0.2 -2,-0.2 0.904 117.3 35.0 -57.8 -46.4 -18.7 56.0 14.2 52 51 A H H <5S+ 0 0 46 -4,-2.8 -1,-0.2 4,-0.2 -2,-0.2 0.689 124.7 44.3 -86.3 -14.7 -21.4 54.1 16.3 53 52 A G T ><5S+ 0 0 41 -4,-1.4 3,-1.8 -5,-0.3 -3,-0.2 0.735 131.6 1.1 -91.0-106.7 -21.6 56.7 19.0 54 53 A A T 3 5S+ 0 0 101 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.797 131.2 60.8 -50.1 -38.7 -21.8 60.4 18.0 55 54 A G T 3 -M 22 0C 106 -2,-0.3 3,-2.4 -51,-0.2 -61,-0.2 -0.908 29.2 -76.5-128.4 154.2 -3.5 26.4 14.1 74 73 A L T 3 S+ 0 0 86 -53,-2.4 -61,-0.2 -2,-0.3 3,-0.1 -0.096 114.1 18.6 -44.5 128.2 -3.3 27.4 17.7 75 74 A G T 3 S+ 0 0 51 -63,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.275 90.2 127.4 90.9 -9.9 -0.3 29.6 18.4 76 75 A E < - 0 0 42 -3,-2.4 -64,-3.2 -65,-0.1 2,-0.6 -0.524 54.3-135.7 -74.1 144.3 0.5 30.7 14.9 77 76 A T E -A 11 0A 61 -66,-0.2 2,-0.3 -2,-0.2 -66,-0.2 -0.914 22.1-161.5 -98.0 124.7 0.8 34.4 14.1 78 77 A L E -A 10 0A 0 -68,-3.1 -68,-2.3 -2,-0.6 2,-0.5 -0.769 11.2-136.2-103.0 149.1 -1.0 35.4 10.9 79 78 A T E -AD 9 99A 39 20,-2.4 20,-2.9 -2,-0.3 2,-0.4 -0.913 15.8-154.0-106.9 130.9 -0.4 38.6 8.9 80 79 A R E -AD 8 98A 12 -72,-3.4 -72,-2.0 -2,-0.5 2,-0.4 -0.893 12.0-175.9-107.0 130.4 -3.4 40.5 7.7 81 80 A E E -AD 7 97A 51 16,-2.4 16,-2.4 -2,-0.4 2,-0.4 -0.999 4.1-165.1-131.4 132.1 -3.2 42.7 4.5 82 81 A L E +AD 6 96A 0 -76,-2.5 -76,-2.0 -2,-0.4 2,-0.3 -0.952 9.6 173.8-119.4 137.3 -6.0 44.9 3.1 83 82 A R E - D 0 95A 64 12,-2.2 12,-2.6 -2,-0.4 2,-0.5 -0.919 32.0-118.9-127.8 158.2 -6.4 46.6 -0.3 84 83 A V E +eD 138 94A 0 53,-2.8 55,-2.9 -80,-0.3 10,-0.3 -0.891 25.9 179.5-101.3 128.8 -9.4 48.6 -1.6 85 84 A V E + 0 0 18 8,-2.8 58,-0.3 -2,-0.5 2,-0.3 0.829 67.8 2.3 -89.3 -39.9 -10.9 47.1 -4.7 86 85 A K E - D 0 93A 87 7,-1.4 7,-2.7 56,-0.1 2,-0.4 -0.989 59.5-163.0-155.7 142.5 -13.8 49.5 -5.5 87 86 A L E + D 0 92A 51 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.970 13.1 168.4-142.6 117.7 -15.0 52.7 -3.8 88 87 A G - 0 0 31 3,-2.9 38,-0.1 -2,-0.4 5,-0.0 -0.162 53.6 -87.4-103.5-154.8 -18.4 54.4 -4.3 89 88 A Q S S+ 0 0 125 -2,-0.1 37,-3.1 36,-0.1 42,-0.1 0.835 121.3 2.5 -87.2 -34.3 -20.0 57.2 -2.3 90 89 A S S S+ 0 0 25 35,-0.3 25,-2.4 1,-0.0 2,-0.2 0.659 125.2 63.5-118.6 -39.0 -21.5 54.9 0.3 91 90 A S E + F 0 114A 29 23,-0.2 -3,-2.9 35,-0.1 2,-0.3 -0.590 56.9 180.0 -92.2 151.5 -20.3 51.4 -0.6 92 91 A F E -DF 87 113A 0 21,-2.5 21,-3.1 -5,-0.2 2,-0.5 -0.979 15.1-147.9-153.7 145.7 -16.8 50.2 -0.6 93 92 A T E -DF 86 112A 16 -7,-2.7 -8,-2.8 -2,-0.3 -7,-1.4 -0.962 15.8-174.4-120.9 128.2 -15.1 46.8 -1.5 94 93 A V E -DF 84 111A 0 17,-3.0 17,-2.6 -2,-0.5 2,-0.4 -0.823 16.7-146.3-116.1 158.6 -12.0 45.5 0.2 95 94 A Q E -DF 83 110A 27 -12,-2.6 -12,-2.2 -2,-0.3 2,-0.4 -0.994 20.0-172.2-123.5 128.5 -9.8 42.5 -0.4 96 95 A V E -DF 82 109A 0 13,-2.9 13,-2.8 -2,-0.4 2,-0.4 -0.972 6.0-169.0-123.9 134.0 -8.1 41.0 2.6 97 96 A R E -DF 81 108A 87 -16,-2.4 -16,-2.4 -2,-0.4 2,-0.5 -0.981 8.8-155.7-120.9 140.2 -5.5 38.2 2.8 98 97 A F E -DF 80 107A 0 9,-2.5 8,-3.3 -2,-0.4 9,-1.5 -0.975 16.8-167.1-111.2 122.2 -4.4 36.3 5.9 99 98 A X E -DF 79 105A 23 -20,-2.9 -20,-2.4 -2,-0.5 6,-0.2 -0.839 15.9-125.7-106.3 147.6 -0.8 34.8 5.5 100 99 A G > - 0 0 3 4,-2.7 3,-2.0 -2,-0.3 -22,-0.1 -0.279 39.6 -89.8 -81.8 177.5 0.8 32.3 7.8 101 100 A P T 3 S+ 0 0 65 0, 0.0 -23,-0.1 0, 0.0 -1,-0.1 0.682 128.7 47.7 -68.5 -18.7 4.1 32.8 9.5 102 101 A D T 3 S- 0 0 149 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.014 125.6 -99.3-109.6 27.0 6.0 31.2 6.6 103 102 A S S < S+ 0 0 100 -3,-2.0 2,-0.2 1,-0.2 -25,-0.0 0.424 72.3 147.7 76.9 7.9 4.1 33.3 4.1 104 103 A G - 0 0 37 1,-0.1 -4,-2.7 -5,-0.1 2,-0.3 -0.521 53.8-113.6 -72.9 136.1 1.5 30.7 3.0 105 104 A L E + F 0 99A 33 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.535 36.5 175.0 -69.8 130.9 -1.9 32.1 2.0 106 105 A R E - 0 0 28 -8,-3.3 -37,-1.6 1,-0.4 -36,-1.3 0.771 63.3 -6.0-104.7 -44.8 -4.5 31.0 4.6 107 106 A L E -BF 68 98A 4 -9,-1.5 -9,-2.5 -39,-0.2 2,-0.4 -0.984 50.8-161.8-156.2 146.6 -7.6 32.9 3.4 108 107 A E E -BF 67 97A 48 -41,-2.0 -41,-3.2 -2,-0.3 2,-0.4 -0.998 16.7-178.6-128.3 128.9 -8.5 35.5 0.9 109 108 A V E -BF 66 96A 2 -13,-2.8 -13,-2.9 -2,-0.4 2,-0.5 -0.992 19.1-158.9-138.1 129.8 -11.8 37.4 1.2 110 109 A T E -BF 65 95A 55 -45,-2.5 -45,-3.0 -2,-0.4 2,-0.4 -0.933 24.8-175.3-104.4 126.7 -13.4 40.1 -0.9 111 110 A Q E -BF 64 94A 1 -17,-2.6 -17,-3.0 -2,-0.5 2,-0.5 -0.995 18.1-156.9-135.4 125.5 -15.9 42.1 1.2 112 111 A R E -BF 63 93A 98 -49,-2.6 -50,-3.4 -2,-0.4 -49,-1.7 -0.920 17.7-176.6-103.9 124.7 -18.4 44.8 0.2 113 112 A L E -BF 61 92A 3 -21,-3.1 -21,-2.5 -2,-0.5 2,-0.4 -0.859 12.0-149.5-117.8 155.7 -19.5 47.1 3.0 114 113 A V E - 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