==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-12 4IH9 . COMPND 2 MOLECULE: DWARF 88 ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR X.E.ZHOU,L.-H.ZHAO,Z.-S.WU,W.YI,S.LI,Y.LI,Y.XU,T.-H.XU,Y.LIU . 530 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 34.3 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 3 1 0 0 0 0 2 3 4 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 4 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 PARALLEL BRIDGES PER LADDER . 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A A > 0 0 99 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -64.7 -5.3 12.0 0.8 2 5 A K H > + 0 0 127 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.786 360.0 67.2 -72.2 -24.2 -8.5 10.3 2.0 3 6 A L H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 6,-0.3 0.845 90.2 62.4 -60.5 -35.5 -10.1 11.7 -1.1 4 7 A L H 4>S+ 0 0 42 -3,-0.4 5,-2.3 1,-0.2 -1,-0.2 0.871 110.9 38.4 -60.3 -37.1 -7.9 9.3 -3.1 5 8 A Q H ><5S+ 0 0 156 -4,-0.7 3,-1.4 -3,-0.5 -2,-0.2 0.921 115.1 51.6 -76.8 -46.9 -9.6 6.4 -1.4 6 9 A I H 3<5S+ 0 0 35 -4,-2.5 51,-0.3 1,-0.3 -2,-0.2 0.870 115.2 41.3 -59.2 -42.9 -13.1 7.7 -1.3 7 10 A L T 3<5S- 0 0 1 -4,-2.5 42,-2.9 -5,-0.2 -1,-0.3 0.207 110.6-118.0 -97.7 18.3 -13.2 8.6 -5.0 8 11 A N T < 5 - 0 0 41 -3,-1.4 -3,-0.2 40,-0.2 2,-0.1 0.871 39.7-165.9 56.6 43.4 -11.4 5.4 -6.1 9 12 A V < - 0 0 26 -5,-2.3 2,-0.4 -6,-0.3 39,-0.2 -0.401 8.7-177.9 -67.4 134.0 -8.4 7.2 -7.6 10 13 A R E -A 47 0A 122 37,-2.6 37,-2.9 -2,-0.1 2,-0.5 -0.997 15.7-160.9-133.5 136.0 -6.3 5.0 -9.8 11 14 A V E +A 46 0A 69 -2,-0.4 2,-0.3 35,-0.2 35,-0.2 -0.984 22.0 170.4-118.4 119.9 -3.0 5.8 -11.7 12 15 A V E +A 45 0A 30 33,-2.8 33,-3.1 -2,-0.5 -2,-0.0 -0.787 40.0 17.8-127.3 163.4 -2.1 3.5 -14.5 13 16 A G E S-A 44 0A 42 -2,-0.3 2,-0.3 31,-0.2 31,-0.3 -0.259 74.9-113.1 72.3-162.0 0.5 3.5 -17.3 14 17 A S + 0 0 81 29,-0.9 2,-0.2 26,-0.9 3,-0.1 -0.970 47.6 107.0-165.4 159.0 3.5 5.7 -17.1 15 18 A G - 0 0 18 -2,-0.3 28,-0.1 28,-0.2 29,-0.1 -0.775 67.6 -91.1 148.6 170.7 5.1 8.7 -18.9 16 19 A E S S+ 0 0 176 -2,-0.2 2,-0.8 26,-0.2 -1,-0.1 0.734 106.1 76.3 -80.2 -25.0 5.9 12.4 -18.7 17 20 A R S S- 0 0 72 25,-0.4 27,-1.5 -3,-0.1 2,-0.3 -0.809 73.7-160.8 -93.7 109.3 2.6 13.3 -20.3 18 21 A V E -b 44 0A 5 -2,-0.8 71,-2.4 69,-0.4 2,-0.4 -0.734 6.8-169.7 -96.2 136.4 -0.1 12.9 -17.7 19 22 A V E -bc 45 89A 0 25,-2.6 27,-2.9 -2,-0.3 2,-0.5 -0.997 9.1-154.1-127.7 132.4 -3.8 12.6 -18.7 20 23 A V E -bc 46 90A 0 69,-2.7 71,-3.0 -2,-0.4 2,-0.5 -0.916 5.7-157.6-104.6 131.9 -6.8 12.7 -16.4 21 24 A L E -bc 47 91A 0 25,-2.7 27,-0.8 -2,-0.5 2,-0.5 -0.961 11.6-175.0-110.3 121.6 -10.0 10.9 -17.5 22 25 A S E -bc 48 92A 0 69,-2.8 71,-1.9 -2,-0.5 74,-0.1 -0.964 14.2-143.3-125.2 113.2 -13.1 12.3 -15.8 23 26 A H - 0 0 2 25,-0.6 73,-0.1 -2,-0.5 6,-0.1 -0.180 11.5-130.7 -77.0 168.6 -16.5 10.5 -16.4 24 27 A G > - 0 0 0 1,-0.2 3,-1.4 4,-0.2 70,-0.2 -0.229 44.8 -39.3-104.7-162.6 -19.9 12.0 -16.8 25 28 A F T 3 S+ 0 0 16 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.296 120.3 13.0 -65.2 132.7 -23.4 11.6 -15.6 26 29 A G T 3 S+ 0 0 1 1,-0.3 -1,-0.2 149,-0.1 2,-0.2 0.493 114.6 75.1 85.1 2.4 -24.6 8.0 -15.1 27 30 A T < - 0 0 4 -3,-1.4 -1,-0.3 148,-0.1 2,-0.2 -0.688 60.4-147.4-128.1-178.1 -21.2 6.3 -15.4 28 31 A D > - 0 0 11 -2,-0.2 3,-2.1 25,-0.1 -4,-0.2 -0.744 52.8 -70.4-135.5-169.7 -18.1 5.8 -13.3 29 32 A Q G > S+ 0 0 24 1,-0.3 3,-1.9 -2,-0.2 4,-0.1 0.696 120.5 77.3 -61.4 -20.0 -14.4 5.5 -14.3 30 33 A S G > S+ 0 0 35 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.714 75.6 77.2 -62.4 -18.7 -15.1 2.0 -15.8 31 34 A A G < S+ 0 0 1 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.746 90.6 55.5 -62.2 -20.7 -16.6 3.9 -18.8 32 35 A W G X> S+ 0 0 0 -3,-1.9 4,-2.6 1,-0.2 3,-0.6 0.410 76.9 104.1 -86.6 -1.0 -13.0 4.5 -19.9 33 36 A S T <4 S+ 0 0 65 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.794 80.3 45.6 -58.6 -35.2 -12.1 0.8 -19.9 34 37 A R T 34 S+ 0 0 98 -3,-0.4 -1,-0.3 213,-0.3 4,-0.2 0.774 118.0 42.0 -81.0 -26.4 -12.2 0.3 -23.7 35 38 A V T X4 S+ 0 0 0 -3,-0.6 3,-1.8 -4,-0.2 4,-0.4 0.795 97.4 79.7 -86.9 -28.2 -10.2 3.5 -24.5 36 39 A L G >X S+ 0 0 25 -4,-2.6 3,-2.2 1,-0.3 4,-1.4 0.829 83.2 58.4 -49.0 -45.6 -7.6 3.1 -21.7 37 40 A P G 34 S+ 0 0 84 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.739 100.0 60.3 -64.2 -18.2 -5.4 0.5 -23.4 38 41 A Y G <4 S+ 0 0 84 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.572 113.9 35.5 -78.9 -12.3 -4.8 3.0 -26.3 39 42 A L T X> S+ 0 0 1 -3,-2.2 4,-1.1 -4,-0.4 3,-0.9 0.655 95.4 77.9-112.4 -22.0 -3.3 5.6 -23.8 40 43 A T T 3< S+ 0 0 41 -4,-1.4 -26,-0.9 1,-0.3 -2,-0.1 0.626 87.5 58.7 -78.1 -14.4 -1.3 3.7 -21.1 41 44 A R T 34 S+ 0 0 171 -4,-0.3 -1,-0.3 -28,-0.2 -2,-0.1 0.766 121.0 26.4 -79.4 -26.8 1.8 2.9 -23.2 42 45 A D T <4 S+ 0 0 51 -3,-0.9 -25,-0.4 1,-0.1 2,-0.3 0.416 122.0 45.6-116.0 -6.0 2.5 6.6 -23.8 43 46 A H S < S- 0 0 5 -4,-1.1 -29,-0.9 -28,-0.1 2,-0.6 -0.992 70.1-124.3-143.2 147.1 0.8 8.3 -20.9 44 47 A R E -Ab 13 18A 88 -27,-1.5 -25,-2.6 -2,-0.3 2,-0.5 -0.854 41.7-154.6 -82.8 123.5 0.4 8.2 -17.1 45 48 A V E -Ab 12 19A 0 -33,-3.1 -33,-2.8 -2,-0.6 2,-0.5 -0.918 11.6-159.8-115.9 125.5 -3.4 8.1 -16.8 46 49 A V E -Ab 11 20A 0 -27,-2.9 -25,-2.7 -2,-0.5 2,-0.3 -0.901 13.7-178.8-102.0 126.4 -5.3 9.3 -13.7 47 50 A L E +Ab 10 21A 4 -37,-2.9 -37,-2.6 -2,-0.5 2,-0.3 -0.925 7.7 159.5-123.4 147.4 -8.8 7.9 -13.3 48 51 A Y E - b 0 22A 4 -27,-0.8 -25,-0.6 -2,-0.3 2,-0.4 -0.974 34.7-113.8-158.5 163.7 -11.3 8.7 -10.5 49 52 A D - 0 0 4 -42,-2.9 -21,-0.1 -2,-0.3 -40,-0.1 -0.883 29.7-119.3-104.2 138.7 -15.0 8.6 -9.8 50 53 A L > - 0 0 3 -2,-0.4 3,-2.3 -26,-0.1 6,-0.1 -0.383 33.5-109.4 -64.7 152.3 -17.1 11.7 -9.2 51 54 A V T 3 S+ 0 0 3 1,-0.3 9,-0.2 9,-0.1 10,-0.1 0.767 118.6 59.0 -59.4 -24.4 -18.7 11.8 -5.8 52 55 A C T 3 S+ 0 0 4 8,-0.1 -1,-0.3 131,-0.1 128,-0.3 0.543 79.1 113.9 -81.1 -6.3 -22.1 11.1 -7.4 53 56 A A S X S- 0 0 4 -3,-2.3 3,-2.0 1,-0.1 -25,-0.1 -0.372 73.2-128.7 -67.5 144.5 -21.0 7.8 -9.0 54 57 A G T 3 S+ 0 0 7 121,-0.3 -1,-0.1 1,-0.3 -26,-0.1 0.684 107.5 68.1 -66.9 -15.5 -22.8 4.7 -7.7 55 58 A S T 3 S+ 0 0 25 -28,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.470 91.0 75.3 -79.9 -4.9 -19.3 3.2 -7.2 56 59 A V S < S- 0 0 2 -3,-2.0 -49,-0.1 -6,-0.1 5,-0.1 -0.853 104.2 -97.1-104.1 141.6 -18.7 5.7 -4.4 57 60 A N > - 0 0 30 -2,-0.4 3,-1.9 -51,-0.3 4,-0.2 -0.439 33.8-144.2 -58.0 117.8 -20.4 5.3 -1.0 58 61 A P G > S+ 0 0 6 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.673 91.8 76.8 -67.2 -13.2 -23.5 7.6 -1.5 59 62 A D G 3 S+ 0 0 84 1,-0.3 -2,-0.1 237,-0.1 237,-0.0 0.611 85.3 64.9 -73.1 -5.7 -23.3 8.7 2.1 60 63 A H G < S+ 0 0 81 -3,-1.9 2,-0.9 -9,-0.2 -1,-0.3 0.625 76.6 104.9 -81.1 -16.3 -20.4 10.9 1.1 61 64 A F < - 0 0 10 -3,-1.4 2,-0.9 -4,-0.2 3,-0.1 -0.562 55.1-167.1 -74.6 103.6 -22.7 13.0 -1.1 62 65 A D > - 0 0 51 -2,-0.9 4,-2.8 1,-0.2 3,-0.1 -0.818 6.4-161.4 -94.1 105.5 -23.3 16.2 0.8 63 66 A F T 4 S+ 0 0 69 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.0 0.828 89.7 52.1 -60.1 -32.8 -26.3 17.8 -1.0 64 67 A R T >4 S+ 0 0 209 1,-0.2 3,-0.8 2,-0.1 -1,-0.2 0.922 113.1 42.9 -66.8 -48.7 -25.4 21.2 0.4 65 68 A R T 34 S+ 0 0 99 1,-0.2 2,-0.6 -3,-0.1 3,-0.5 0.913 112.9 51.4 -64.6 -47.7 -21.8 21.1 -0.7 66 69 A Y T 3< S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.1 -0.151 71.7 116.4 -88.8 43.6 -22.5 19.8 -4.1 67 70 A D S < S+ 0 0 74 -3,-0.8 2,-0.3 -2,-0.6 -1,-0.2 0.480 82.8 22.7 -85.2 -5.7 -25.1 22.4 -4.9 68 71 A N S > S- 0 0 60 -3,-0.5 3,-0.9 1,-0.0 4,-0.5 -0.958 86.3-105.0-153.5 167.5 -22.9 23.7 -7.7 69 72 A L T >> S+ 0 0 5 -2,-0.3 4,-2.0 1,-0.2 3,-0.7 0.738 105.3 76.9 -74.3 -21.4 -20.1 22.5 -10.0 70 73 A D H 3> S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.813 90.0 59.0 -57.8 -31.1 -17.3 24.4 -8.1 71 74 A A H <> S+ 0 0 5 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.872 105.8 47.3 -65.9 -37.4 -17.5 21.7 -5.4 72 75 A Y H <> S+ 0 0 5 -3,-0.7 4,-2.1 -4,-0.5 -2,-0.2 0.866 108.9 54.8 -69.5 -37.7 -16.6 19.0 -7.9 73 76 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.920 104.0 55.8 -59.3 -41.3 -13.8 21.2 -9.2 74 77 A D H X S+ 0 0 67 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.887 106.9 49.3 -56.6 -43.7 -12.5 21.3 -5.7 75 78 A D H X S+ 0 0 6 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.933 111.2 49.2 -62.6 -46.7 -12.4 17.5 -5.5 76 79 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.936 113.3 45.7 -58.8 -48.2 -10.5 17.3 -8.8 77 80 A L H X S+ 0 0 11 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.896 110.7 53.4 -64.4 -39.8 -7.9 19.9 -7.8 78 81 A A H X S+ 0 0 45 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.898 109.7 49.5 -62.1 -39.1 -7.5 18.2 -4.4 79 82 A I H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.933 112.6 45.2 -62.1 -51.4 -6.8 14.9 -6.1 80 83 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-0.3 0.891 114.5 48.7 -64.7 -40.6 -4.2 16.3 -8.6 81 84 A D H ><5S+ 0 0 77 -4,-2.7 3,-1.3 3,-0.2 -1,-0.2 0.908 110.0 51.9 -63.7 -41.3 -2.5 18.3 -5.8 82 85 A A H 3<5S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.877 110.2 49.0 -62.8 -35.0 -2.4 15.1 -3.6 83 86 A L T 3<5S- 0 0 50 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.477 111.8-125.5 -80.6 -2.7 -0.8 13.2 -6.5 84 87 A R T < 5 + 0 0 227 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.819 52.5 158.9 60.5 36.0 1.7 16.0 -6.9 85 88 A I < - 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0 0 45 0, 0.0 -92,-2.2 0, 0.0 2,-0.4 -0.401 47.2-159.0 -63.6 144.8 -49.1 -11.3 3.8 473 210 B C E -mn 380 500D 3 26,-2.4 28,-2.2 -94,-0.2 2,-0.5 -0.957 21.2-158.5-132.9 142.7 -45.4 -11.9 3.1 474 211 B V E -mn 381 501D 11 -94,-2.3 -92,-2.9 -2,-0.4 2,-0.5 -0.997 14.0-159.8-116.7 126.2 -43.0 -11.4 0.2 475 212 B V E -mn 382 502D 3 26,-2.6 28,-2.9 -2,-0.5 2,-0.6 -0.931 9.8-146.7-106.6 119.7 -39.9 -13.6 0.3 476 213 B V E -mn 383 503D 9 -94,-2.9 -92,-0.6 -2,-0.5 2,-0.4 -0.819 16.7-171.9 -91.0 123.5 -37.0 -12.2 -1.8 477 214 B Q E - n 0 504D 39 26,-3.1 28,-3.0 -2,-0.6 2,-0.2 -0.955 4.2-166.4-118.5 130.1 -34.9 -14.9 -3.5 478 215 B T - 0 0 18 -2,-0.4 30,-0.2 26,-0.2 3,-0.1 -0.525 41.6 -95.8-101.0 178.9 -31.6 -14.3 -5.3 479 216 B T S S- 0 0 70 28,-3.4 2,-0.3 26,-0.4 29,-0.2 0.820 104.6 -0.8 -68.2 -28.9 -29.8 -16.7 -7.6 480 217 B R - 0 0 159 27,-0.4 29,-3.0 29,-0.2 2,-0.4 -0.955 59.8-171.9-163.9 138.4 -27.5 -17.9 -4.7 481 218 B D > - 0 0 27 3,-0.4 3,-1.1 -2,-0.3 -55,-0.1 -0.981 23.4-140.7-140.4 121.7 -27.0 -16.9 -1.1 482 219 B V T 3 S+ 0 0 65 -57,-0.4 -56,-0.1 -2,-0.4 -1,-0.1 0.756 105.6 31.1 -48.6 -33.7 -24.1 -18.2 1.1 483 220 B S T 3 S+ 0 0 12 1,-0.2 -1,-0.3 -57,-0.1 -84,-0.1 0.436 115.8 58.3-110.2 -4.4 -26.4 -18.7 4.1 484 221 B V S < S- 0 0 18 -3,-1.1 -3,-0.4 -86,-0.1 -1,-0.2 -0.881 72.2-141.6-136.0 104.1 -29.8 -19.5 2.4 485 222 B P >> - 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