==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-12 4FG5 . COMPND 2 MOLECULE: E3 ALPHA-ESTERASE-7 CABOXYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LUCILIA CUPRINA; . AUTHOR C.J.JACKSON,J-W.LIU,P.D.CARR,F.YOUNIS,G.PANDEY,C.COPPIN,T.ME . 1138 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 722 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 69 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 161 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 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 1 7 2 2 4 1 1 2 2 1 3 0 2 0 0 2 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 2 5 3 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 0 4 6 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 . 2 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 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 N 0 0 157 0, 0.0 2,-0.4 0, 0.0 293,-0.0 0.000 360.0 360.0 360.0 -68.9 -12.7 6.0 -3.8 2 3 A F - 0 0 51 2,-0.0 2,-0.4 1,-0.0 458,-0.1 -0.647 360.0-163.7 -78.1 125.0 -9.8 6.2 -6.4 3 4 A N - 0 0 102 -2,-0.4 2,-0.4 456,-0.0 96,-0.0 -0.899 7.4-157.2-116.0 140.6 -10.6 4.2 -9.5 4 5 A V - 0 0 11 -2,-0.4 455,-0.1 96,-0.3 454,-0.0 -0.921 21.6-118.8-115.7 139.7 -8.3 3.0 -12.3 5 6 A S > - 0 0 54 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.289 21.7-116.9 -72.4 160.5 -9.3 2.2 -15.9 6 7 A L H > S+ 0 0 153 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 115.6 55.5 -65.1 -41.4 -8.9 -1.2 -17.5 7 8 A M H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 111.7 43.1 -56.0 -45.7 -6.5 0.1 -20.0 8 9 A E H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.862 112.5 52.6 -72.2 -37.9 -4.2 1.5 -17.3 9 10 A K H X S+ 0 0 82 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.874 109.5 49.2 -63.5 -40.8 -4.5 -1.7 -15.1 10 11 A L H X S+ 0 0 109 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.925 112.1 48.6 -62.3 -46.5 -3.5 -3.8 -18.1 11 12 A K H X S+ 0 0 100 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.853 111.5 49.8 -62.4 -38.2 -0.5 -1.6 -18.7 12 13 A W H X S+ 0 0 17 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.934 107.8 54.6 -63.4 -48.3 0.4 -1.7 -15.0 13 14 A K H X S+ 0 0 124 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.912 111.3 43.2 -50.8 -49.7 0.2 -5.5 -15.1 14 15 A I H X S+ 0 0 77 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.854 110.1 57.6 -71.3 -33.2 2.6 -5.8 -18.0 15 16 A K H X S+ 0 0 83 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.892 104.5 51.6 -59.9 -43.4 4.9 -3.1 -16.4 16 17 A C H X S+ 0 0 51 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.950 110.6 49.4 -56.4 -49.2 5.1 -5.4 -13.3 17 18 A I H X S+ 0 0 78 -4,-1.9 4,-1.1 1,-0.2 3,-0.3 0.945 113.9 44.6 -53.4 -54.4 6.1 -8.3 -15.6 18 19 A E H >X S+ 0 0 106 -4,-2.8 4,-2.1 1,-0.2 3,-0.6 0.906 108.5 57.1 -60.7 -44.3 8.8 -6.2 -17.4 19 20 A N H 3X S+ 0 0 24 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.866 100.4 59.5 -55.0 -39.1 10.1 -4.8 -14.1 20 21 A K H 3X S+ 0 0 114 -4,-1.9 4,-1.1 -3,-0.3 -1,-0.2 0.878 109.8 41.3 -56.7 -42.9 10.8 -8.3 -12.8 21 22 A F H < S+ 0 0 137 -4,-1.1 3,-1.6 1,-0.2 -2,-0.2 0.905 110.6 51.7 -68.1 -45.3 17.3 -9.7 -13.0 25 26 A R H 3< S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.864 108.8 52.6 -57.3 -37.6 19.3 -7.8 -15.6 26 27 A L T 3< S+ 0 0 10 -4,-2.4 21,-2.7 -5,-0.1 2,-0.5 0.249 90.7 103.4 -83.5 15.7 20.3 -5.3 -12.9 27 28 A T E < -A 46 0A 41 -3,-1.6 19,-0.2 19,-0.2 2,-0.1 -0.879 55.0-157.1-109.9 124.8 21.6 -8.0 -10.6 28 29 A T E - 0 0 26 17,-1.9 -2,-0.0 -2,-0.5 17,-0.0 -0.309 27.4-120.6 -83.2 170.5 25.3 -8.8 -10.1 29 30 A N E S+ 0 0 152 -2,-0.1 2,-0.7 15,-0.1 17,-0.1 0.199 81.1 110.8 -91.5 11.9 26.9 -12.1 -8.9 30 31 A E E + 0 0 75 15,-0.4 15,-3.2 2,-0.0 2,-0.3 -0.803 43.7 177.8 -95.4 112.3 28.4 -10.1 -6.0 31 32 A T E -A 44 0A 75 -2,-0.7 2,-0.3 13,-0.2 13,-0.3 -0.837 6.6-165.9-108.3 153.3 27.0 -11.0 -2.5 32 33 A V E -A 43 0A 34 11,-2.3 11,-3.1 -2,-0.3 2,-0.4 -0.949 11.2-140.9-135.7 152.1 28.1 -9.5 0.8 33 34 A V E -A 42 0A 75 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.963 19.9-175.9-116.5 133.2 27.6 -10.4 4.5 34 35 A A E -A 41 0A 12 7,-2.4 7,-2.7 -2,-0.4 2,-0.2 -0.904 22.8-112.7-125.4 158.9 27.0 -7.8 7.3 35 36 A E + 0 0 96 168,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.545 28.8 176.5 -87.5 150.3 26.6 -8.0 11.1 36 37 A T > - 0 0 9 -2,-0.2 3,-0.5 167,-0.0 164,-0.1 -0.954 46.1-110.7-141.1 158.2 23.5 -7.2 13.1 37 38 A E T 3 S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.2 163,-0.0 0.543 123.4 46.0 -62.2 -6.1 22.9 -7.4 16.8 38 39 A Y T 3 S- 0 0 26 1,-0.5 43,-3.3 42,-0.1 2,-0.2 0.594 127.0 -66.0-113.0 -16.8 20.5 -10.2 15.8 39 40 A G < - 0 0 12 -3,-0.5 -1,-0.5 41,-0.2 2,-0.2 -0.819 65.2 -48.2 148.9 174.4 22.7 -12.1 13.4 40 41 A K E - b 0 84A 86 43,-1.0 45,-3.3 41,-0.3 2,-0.4 -0.477 48.5-155.3 -78.0 143.4 24.6 -12.0 10.0 41 42 A V E -Ab 34 85A 0 -7,-2.7 -7,-2.4 43,-0.2 2,-0.5 -0.971 6.6-140.7-127.1 134.2 22.7 -10.8 6.9 42 43 A K E +Ab 33 86A 75 43,-3.7 45,-2.2 -2,-0.4 2,-0.2 -0.818 27.0 171.0 -98.8 128.7 23.3 -11.6 3.3 43 44 A G E -A 32 0A 0 -11,-3.1 -11,-2.3 -2,-0.5 2,-0.3 -0.737 20.3-128.6-128.4 176.4 22.9 -8.9 0.7 44 45 A V E -AC 31 56A 9 12,-2.0 12,-2.6 43,-0.3 2,-0.5 -0.955 15.1-121.1-134.4 146.0 23.6 -8.3 -3.0 45 46 A K E - C 0 55A 31 -15,-3.2 -17,-1.9 -2,-0.3 2,-0.4 -0.757 37.8-173.4 -83.8 126.3 25.3 -5.8 -5.3 46 47 A R E -AC 27 54A 6 8,-2.5 8,-1.8 -2,-0.5 -19,-0.2 -0.958 15.9-129.8-125.6 142.2 22.8 -4.4 -7.8 47 48 A L E - C 0 53A 9 -21,-2.7 2,-0.3 -2,-0.4 6,-0.2 -0.326 13.9-140.9 -86.1 171.9 23.2 -2.2 -10.8 48 49 A T > - 0 0 0 4,-0.9 3,-2.4 -2,-0.1 842,-0.3 -0.847 29.7-108.0-128.4 155.6 21.3 1.0 -11.7 49 50 A V T 3 S+ 0 0 20 1,-0.3 841,-0.1 -2,-0.3 842,-0.1 0.803 124.8 52.5 -59.5 -25.4 20.1 2.2 -15.2 50 51 A Y T 3 S- 0 0 17 2,-0.1 -1,-0.3 100,-0.1 -3,-0.0 0.297 124.2-109.6 -89.4 7.3 22.8 4.9 -14.9 51 52 A D S < S+ 0 0 39 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.843 72.4 137.4 62.6 39.4 25.3 2.1 -14.2 52 53 A D - 0 0 48 98,-0.1 -4,-0.9 2,-0.0 2,-0.3 -0.792 42.0-142.6 -98.0 155.6 25.9 2.9 -10.5 53 54 A S E +C 47 0A 35 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.911 19.9 175.5-120.8 150.5 26.1 0.0 -8.1 54 55 A Y E -C 46 0A 1 -8,-1.8 -8,-2.5 -2,-0.3 2,-0.4 -0.983 32.8-112.0-148.3 154.7 24.9 -0.3 -4.5 55 56 A Y E -CD 45 117A 36 62,-3.8 62,-1.7 -2,-0.3 2,-0.5 -0.770 34.8-155.0 -93.9 134.4 24.7 -3.0 -1.9 56 57 A S E +CD 44 116A 0 -12,-2.6 -12,-2.0 -2,-0.4 2,-0.5 -0.948 19.5 176.6-123.1 121.1 21.2 -4.0 -1.1 57 58 A F E + D 0 115A 0 58,-2.7 58,-3.2 -2,-0.5 2,-0.3 -0.971 14.8 172.6-120.5 113.2 19.8 -5.6 2.0 58 59 A E E + 0 0 1 29,-2.0 31,-0.4 -2,-0.5 56,-0.2 -0.892 54.6 31.7-119.5 151.2 16.1 -6.2 2.0 59 60 A G E + 0 0 2 -2,-0.3 -1,-0.2 1,-0.2 55,-0.2 0.879 64.7 161.2 75.0 39.4 13.9 -8.0 4.6 60 61 A I E - D 0 113A 0 53,-2.2 53,-1.8 -3,-0.2 -1,-0.2 -0.851 36.1-135.6 -89.9 115.4 15.8 -7.3 7.8 61 62 A P E + D 0 112A 8 0, 0.0 51,-0.2 0, 0.0 3,-0.1 -0.538 28.2 176.8 -71.9 135.7 13.4 -7.9 10.6 62 63 A Y S S+ 0 0 3 49,-1.3 2,-0.3 -2,-0.2 50,-0.1 0.239 70.9 17.8-112.7 6.2 13.5 -5.2 13.3 63 64 A A S S- 0 0 1 48,-0.7 14,-0.2 14,-0.2 16,-0.1 -0.972 92.0 -73.9-163.3 166.0 10.7 -6.9 15.2 64 65 A Q - 0 0 52 12,-2.9 12,-0.3 -2,-0.3 -2,-0.0 -0.609 59.5 -97.1 -68.6 131.6 8.6 -10.1 15.7 65 66 A P - 0 0 41 0, 0.0 2,-2.4 0, 0.0 5,-0.2 -0.344 38.0-129.6 -41.4 113.5 6.1 -11.0 13.0 66 67 A P + 0 0 7 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.223 63.0 126.1 -77.2 54.4 2.9 -9.5 14.5 67 68 A V > + 0 0 67 -2,-2.4 3,-2.6 3,-0.1 4,-0.1 -0.458 57.8 4.5-106.2 177.1 0.8 -12.6 14.0 68 69 A G G > S- 0 0 56 1,-0.3 3,-1.4 2,-0.2 0, 0.0 -0.265 138.1 -0.3 50.3-126.3 -1.4 -14.8 16.3 69 70 A E G 3 S+ 0 0 181 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.606 127.5 69.4 -65.8 -14.6 -1.5 -13.2 19.8 70 71 A L G X S+ 0 0 49 -3,-2.6 3,-1.6 -5,-0.2 -1,-0.3 0.483 70.4 123.1 -86.2 0.2 0.7 -10.3 18.6 71 72 A R T < S+ 0 0 12 -3,-1.4 -4,-0.1 1,-0.3 3,-0.1 -0.374 83.2 3.0 -66.8 136.6 -1.9 -8.8 16.4 72 73 A F T 3 S+ 0 0 6 97,-0.5 111,-0.3 1,-0.2 -1,-0.3 0.411 110.3 119.1 68.1 0.5 -2.8 -5.2 17.1 73 74 A K S < S- 0 0 36 -3,-1.6 -1,-0.2 1,-0.1 108,-0.1 -0.624 76.4 -87.8-101.3 156.8 -0.1 -5.2 19.8 74 75 A A - 0 0 14 106,-0.3 -1,-0.1 -2,-0.2 111,-0.1 -0.194 59.9 -94.1 -50.0 144.8 3.0 -3.2 20.3 75 76 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.355 36.9-144.4 -74.7 150.9 6.0 -4.8 18.4 76 77 A Q - 0 0 98 -12,-0.3 -12,-2.9 -3,-0.1 -14,-0.0 -0.859 30.7 -85.7-116.1 148.4 8.4 -7.2 20.2 77 78 A R - 0 0 183 -2,-0.3 -14,-0.2 -14,-0.2 -1,-0.1 -0.092 49.9-111.5 -45.8 141.0 12.1 -7.7 19.8 78 79 A P - 0 0 6 0, 0.0 -14,-0.1 0, 0.0 -1,-0.1 -0.353 32.1-102.9 -74.9 163.6 13.1 -10.1 17.0 79 80 A T - 0 0 90 -16,-0.1 -16,-0.1 1,-0.1 -41,-0.1 -0.737 35.9-118.1 -87.2 128.7 14.7 -13.4 17.8 80 81 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 -41,-0.2 -0.247 31.9-152.0 -60.9 154.6 18.5 -13.7 17.2 81 82 A W - 0 0 50 -43,-3.3 2,-0.3 2,-0.1 -41,-0.3 -0.963 10.6-128.6-135.1 149.5 19.7 -16.2 14.6 82 83 A D S S+ 0 0 104 -2,-0.3 2,-0.1 -43,-0.1 -43,-0.0 -0.707 73.0 5.0 -91.9 146.4 22.8 -18.3 13.9 83 84 A G S S- 0 0 44 -2,-0.3 -43,-1.0 2,-0.1 2,-0.6 -0.458 108.6 -27.4 85.6-153.6 24.5 -18.2 10.5 84 85 A V E -b 40 0A 78 -2,-0.1 2,-0.4 -45,-0.1 -43,-0.2 -0.898 51.5-150.7-109.5 117.7 23.6 -16.0 7.5 85 86 A R E -b 41 0A 66 -45,-3.3 -43,-3.7 -2,-0.6 2,-0.5 -0.702 25.2-120.4 -80.8 133.4 20.1 -14.7 7.1 86 87 A D E +b 42 0A 94 -2,-0.4 -43,-0.1 -45,-0.2 3,-0.1 -0.644 38.2 165.9 -82.9 123.4 19.2 -14.1 3.4 87 88 A C + 0 0 1 -45,-2.2 -29,-2.0 -2,-0.5 -43,-0.3 -0.338 39.9 112.9-128.1 46.7 18.3 -10.5 2.5 88 89 A C S S+ 0 0 20 -31,-0.2 2,-0.3 -45,-0.2 -1,-0.1 0.445 74.3 44.0-101.6 -2.2 18.5 -10.7 -1.3 89 90 A N S S- 0 0 105 -31,-0.4 -31,-0.1 -3,-0.1 2,-0.0 -0.953 87.8 -98.5-138.8 158.2 14.7 -10.2 -1.9 90 91 A H - 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