==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAY-09 2WIJ . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.CARLETTI,N.AURBEK,E.GILLON,M.LOIODICE,Y.NICOLET, . 527 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 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 . 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 . 69 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 3 0 1 1 3 0 0 3 1 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 2 1 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 . 0 0 1 2 1 1 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 1 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 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 3 A D 0 0 150 0, 0.0 2,-0.7 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 119.1 -36.4 -18.5 -50.4 2 4 A I + 0 0 46 11,-0.4 11,-2.2 2,-0.0 2,-0.4 -0.889 360.0 167.1-109.4 108.6 -33.3 -17.8 -48.4 3 5 A I E -A 12 0A 53 -2,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.963 14.0-165.9-120.1 137.5 -30.2 -18.2 -50.4 4 6 A I E -A 11 0A 17 7,-2.4 7,-1.9 -2,-0.4 2,-0.6 -0.979 17.7-132.5-124.8 135.1 -26.8 -17.0 -49.2 5 7 A A E -A 10 0A 66 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.794 29.0-175.5 -89.2 120.9 -23.8 -16.6 -51.4 6 8 A T E > -A 9 0A 14 3,-3.5 3,-0.8 -2,-0.6 173,-0.1 -0.635 42.7-100.9-108.7 170.9 -20.6 -18.1 -49.8 7 9 A K T 3 S+ 0 0 149 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.766 125.8 39.3 -60.8 -23.5 -17.1 -18.1 -51.0 8 10 A N T 3 S- 0 0 32 1,-0.4 42,-3.4 41,-0.1 2,-0.3 0.471 129.8 -64.1-106.6 -7.0 -17.6 -21.7 -52.3 9 11 A G E < -A 6 0A 14 -3,-0.8 -3,-3.5 40,-0.2 -1,-0.4 -0.916 63.9 -51.4 152.6-173.7 -21.1 -21.2 -53.7 10 12 A K E -Ab 5 53A 107 42,-0.8 44,-2.2 40,-0.3 2,-0.4 -0.570 42.9-165.6 -90.1 154.1 -24.7 -20.5 -52.9 11 13 A V E -Ab 4 54A 0 -7,-1.9 -7,-2.4 -2,-0.2 2,-0.5 -0.997 11.1-145.0-141.0 140.4 -26.6 -22.4 -50.2 12 14 A R E -Ab 3 55A 63 42,-2.7 44,-2.2 -2,-0.4 -9,-0.2 -0.899 20.0-170.8-102.7 133.3 -30.3 -22.5 -49.5 13 15 A G - 0 0 3 -11,-2.2 -11,-0.4 -2,-0.5 2,-0.3 -0.317 15.9-119.8-106.3-167.8 -31.5 -22.8 -45.9 14 16 A M E -C 25 0B 65 11,-2.2 11,-2.4 42,-0.2 2,-0.3 -0.961 17.0-119.1-139.0 153.9 -34.9 -23.4 -44.4 15 17 A Q E -C 24 0B 102 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.738 26.1-168.5 -98.2 144.5 -37.2 -21.5 -42.1 16 18 A L E -C 23 0B 34 7,-2.4 7,-2.2 -2,-0.3 2,-0.5 -0.979 20.1-130.2-133.2 142.0 -38.2 -22.8 -38.7 17 19 A T E +C 22 0B 120 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.818 32.9 170.4 -92.7 126.1 -40.9 -21.6 -36.3 18 20 A V E > -C 21 0B 5 3,-2.1 3,-0.5 -2,-0.5 -2,-0.1 -0.969 66.5 -23.2-138.4 119.2 -39.5 -21.2 -32.8 19 21 A F T 3 S- 0 0 67 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 0.841 125.1 -49.7 51.6 39.7 -41.4 -19.5 -30.1 20 22 A G T 3 S+ 0 0 74 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.846 126.9 75.8 76.2 32.0 -43.6 -17.5 -32.4 21 23 A G E < S-C 18 0B 20 -3,-0.5 -3,-2.1 -5,-0.0 2,-0.4 -0.837 79.1 -95.5-156.6-172.8 -40.8 -16.2 -34.4 22 24 A T E -C 17 0B 51 77,-0.5 77,-1.7 -2,-0.3 2,-0.4 -0.970 22.7-177.3-130.0 134.5 -38.5 -17.5 -37.1 23 25 A V E -CD 16 98B 0 -7,-2.2 -7,-2.4 -2,-0.4 2,-0.5 -0.964 21.0-140.4-118.6 141.0 -35.0 -18.9 -37.3 24 26 A T E -CD 15 97B 6 73,-2.2 73,-2.9 -2,-0.4 2,-0.4 -0.895 20.6-164.8 -98.2 127.0 -33.2 -19.8 -40.6 25 27 A A E -CD 14 96B 0 -11,-2.4 -11,-2.2 -2,-0.5 2,-0.6 -0.917 14.6-165.8-112.8 131.0 -31.2 -23.1 -40.4 26 28 A F E - D 0 95B 0 69,-3.3 69,-2.1 -2,-0.4 3,-0.5 -0.865 19.8-170.6-116.0 93.6 -28.6 -24.1 -42.9 27 29 A L E +m 57 0C 15 29,-1.6 31,-0.9 -2,-0.6 67,-0.2 -0.729 58.7 10.4 -90.0 128.7 -28.1 -27.7 -42.0 28 30 A G E + 0 0 3 -2,-0.4 66,-0.2 65,-0.3 -1,-0.2 0.888 66.9 171.7 75.9 48.0 -25.2 -29.6 -43.6 29 31 A I E - D 0 93B 0 64,-3.2 64,-2.4 -3,-0.5 -1,-0.2 -0.705 34.6-122.8 -82.0 131.4 -23.0 -27.2 -45.4 30 32 A P E + D 0 92B 9 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.436 32.4 174.6 -71.6 155.1 -19.8 -28.8 -46.7 31 33 A Y + 0 0 7 60,-1.8 16,-0.3 1,-0.3 2,-0.3 0.421 60.9 23.0-139.8 -7.7 -16.6 -27.2 -45.4 32 34 A A S S- 0 0 3 59,-0.9 -1,-0.3 14,-0.1 14,-0.2 -0.975 90.2 -80.6-149.2 171.9 -13.9 -29.5 -46.7 33 35 A Q - 0 0 70 12,-2.5 12,-0.5 -2,-0.3 14,-0.1 -0.542 64.1 -95.3 -69.3 133.9 -13.1 -32.1 -49.4 34 36 A P - 0 0 45 0, 0.0 2,-1.9 0, 0.0 5,-0.2 -0.231 35.8-128.2 -52.5 133.8 -14.6 -35.4 -48.3 35 37 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.312 59.8 134.3 -90.7 60.9 -11.7 -37.3 -46.6 36 38 A L > - 0 0 74 -2,-1.9 3,-2.3 4,-0.1 2,-0.4 -0.630 57.1 -11.7-106.7 161.5 -12.0 -40.5 -48.6 37 39 A G G > S+ 0 0 47 1,-0.3 3,-0.8 -2,-0.2 0, 0.0 -0.344 136.8 12.2 64.6-112.4 -9.6 -42.8 -50.4 38 40 A R G 3 S+ 0 0 164 -2,-0.4 -1,-0.3 1,-0.2 225,-0.0 0.747 129.5 58.0 -68.6 -28.1 -6.2 -41.2 -50.6 39 41 A L G X S+ 0 0 10 -3,-2.3 3,-2.0 -5,-0.2 -1,-0.2 0.483 74.5 122.3 -85.4 -8.0 -7.3 -38.5 -48.2 40 42 A R T < S+ 0 0 11 -3,-0.8 -4,-0.1 1,-0.3 3,-0.1 -0.403 85.0 8.8 -59.6 133.5 -8.2 -41.0 -45.4 41 43 A F T 3 S+ 0 0 1 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.283 107.3 116.5 73.2 -6.4 -6.1 -40.1 -42.3 42 44 A K S < S- 0 0 33 -3,-2.0 -1,-0.3 118,-0.1 3,-0.1 -0.546 78.1 -89.5 -91.4 160.1 -4.9 -36.8 -43.9 43 45 A K - 0 0 72 115,-0.3 -1,-0.1 -2,-0.2 2,-0.1 -0.272 62.0 -87.8 -55.4 151.7 -5.5 -33.3 -42.7 44 46 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.396 46.4-139.0 -70.8 144.3 -8.7 -31.9 -44.3 45 47 A Q - 0 0 73 -12,-0.5 -12,-2.5 1,-0.1 -6,-0.0 -0.700 26.8 -79.8-111.1 158.9 -8.3 -30.3 -47.7 46 48 A S - 0 0 89 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.1 -0.128 45.2-110.5 -54.9 143.6 -9.8 -27.2 -49.3 47 49 A L - 0 0 32 -16,-0.3 -1,-0.1 1,-0.1 -14,-0.1 -0.594 22.0-140.7 -79.6 142.7 -13.3 -27.2 -50.7 48 50 A T - 0 0 94 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.723 37.0-109.7 -84.0 -31.4 -13.4 -26.9 -54.5 49 51 A K - 0 0 167 2,-0.0 2,-0.4 1,-0.0 -40,-0.2 0.256 25.7-143.6 106.9 134.1 -16.4 -24.6 -55.2 50 52 A W - 0 0 52 -42,-3.4 -40,-0.3 2,-0.1 2,-0.2 -0.966 4.0-148.3-130.1 145.6 -19.9 -25.2 -56.8 51 53 A S S S+ 0 0 104 -2,-0.4 -2,-0.0 -42,-0.1 -43,-0.0 -0.624 72.7 42.7 -96.1 170.0 -22.3 -23.3 -59.1 52 54 A D S S- 0 0 138 -2,-0.2 -42,-0.8 2,-0.0 2,-0.6 -0.128 106.4 -58.0 69.2 177.1 -26.0 -23.8 -58.6 53 55 A I E -b 10 0A 58 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.817 37.9-143.4-106.4 116.5 -27.4 -24.0 -55.1 54 56 A W E -b 11 0A 86 -44,-2.2 -42,-2.7 -2,-0.6 2,-0.9 -0.631 23.2-135.6 -67.6 127.0 -26.3 -26.4 -52.4 55 57 A N E -b 12 0A 86 -2,-0.4 2,-1.2 -44,-0.2 3,-0.3 -0.782 21.9-176.0 -88.2 105.7 -29.5 -27.3 -50.4 56 58 A A + 0 0 0 -44,-2.2 -29,-1.6 -2,-0.9 -42,-0.2 -0.595 41.3 125.2 -98.4 73.2 -28.6 -27.2 -46.7 57 59 A T B +m 27 0C 58 -2,-1.2 2,-0.3 -31,-0.2 -1,-0.2 0.409 65.3 29.8-120.8 -0.5 -32.0 -28.4 -45.6 58 60 A K S S- 0 0 155 -31,-0.9 -1,-0.1 -3,-0.3 2,-0.0 -0.988 89.9 -84.4-152.4 163.8 -31.1 -31.4 -43.5 59 61 A Y - 0 0 51 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.306 47.6-129.4 -64.0 147.6 -28.4 -32.7 -41.3 60 62 A A - 0 0 20 1,-0.2 62,-0.1 30,-0.1 -1,-0.1 -0.279 38.8 -61.1 -93.4-179.8 -25.5 -34.4 -43.0 61 63 A N - 0 0 49 28,-0.3 2,-0.2 23,-0.1 31,-0.2 -0.336 49.9-129.6 -57.2 141.0 -23.8 -37.7 -42.4 62 64 A S B -n 86 0D 0 23,-1.7 25,-1.9 1,-0.1 27,-0.1 -0.638 36.3 -95.3 -83.2 150.4 -22.1 -38.2 -39.0 63 65 A a - 0 0 3 56,-0.3 25,-0.2 -2,-0.2 56,-0.2 -0.246 51.4 -81.6 -67.2 159.4 -18.6 -39.5 -39.0 64 66 A C + 0 0 11 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.336 68.0 143.6 -63.1 138.2 -17.8 -43.2 -38.7 65 67 A Q - 0 0 5 -3,-0.1 53,-0.1 80,-0.1 21,-0.1 -0.939 51.6 -96.5-171.9 147.6 -17.8 -44.4 -35.1 66 68 A N - 0 0 55 51,-0.4 2,-0.3 -2,-0.3 206,-0.0 -0.291 44.1-133.9 -63.0 155.7 -18.7 -47.2 -32.8 67 69 A I - 0 0 62 51,-0.1 2,-0.8 14,-0.1 -1,-0.1 -0.867 16.5-106.6-116.7 149.7 -22.0 -46.9 -31.1 68 70 A D + 0 0 40 -2,-0.3 3,-0.2 9,-0.2 13,-0.1 -0.669 42.8 165.0 -74.5 107.7 -23.1 -47.4 -27.5 69 71 A Q + 0 0 153 -2,-0.8 -1,-0.1 1,-0.1 9,-0.0 0.137 42.8 105.6-109.2 16.1 -25.1 -50.7 -27.5 70 72 A S S S+ 0 0 67 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.834 90.0 25.9 -69.0 -31.8 -25.0 -51.3 -23.8 71 73 A F S > S- 0 0 37 -3,-0.2 3,-2.5 3,-0.1 -1,-0.3 -0.443 78.8-166.3-131.2 65.4 -28.6 -50.3 -23.2 72 74 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.200 79.4 19.6 -57.2 137.6 -30.6 -51.0 -26.4 73 75 A G T 3 S+ 0 0 69 1,-0.2 2,-0.6 2,-0.1 0, 0.0 0.374 96.2 121.5 91.8 -11.8 -34.0 -49.3 -26.2 74 76 A F X> - 0 0 29 -3,-2.5 4,-2.5 1,-0.2 3,-0.7 -0.816 51.2-158.1 -99.1 121.0 -32.9 -47.0 -23.4 75 77 A H H 3> S+ 0 0 123 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.885 86.6 71.8 -60.3 -41.9 -33.2 -43.2 -24.1 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.850 118.7 16.8 -43.1 -41.8 -30.6 -42.4 -21.4 77 79 A S H X4 S+ 0 0 0 -3,-0.7 3,-1.3 -6,-0.2 4,-0.4 0.736 120.5 62.0-104.6 -31.7 -27.8 -43.7 -23.6 78 80 A E H >< S+ 0 0 85 -4,-2.5 3,-1.2 1,-0.3 -3,-0.2 0.780 88.5 72.8 -71.5 -25.2 -29.4 -43.8 -27.0 79 81 A M T 3< S+ 0 0 30 -4,-2.9 -1,-0.3 1,-0.2 46,-0.2 0.700 98.5 49.6 -56.6 -20.5 -29.9 -40.1 -26.9 80 82 A W T < S+ 0 0 62 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.541 88.3 102.7 -94.3 -11.6 -26.1 -39.8 -27.5 81 83 A N S < S- 0 0 29 -3,-1.2 -14,-0.1 -4,-0.4 39,-0.1 -0.370 87.9 -87.2 -73.9 153.2 -25.9 -42.2 -30.4 82 84 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.248 33.0-163.3 -57.5 146.7 -25.6 -40.8 -33.9 83 85 A N + 0 0 85 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.048 68.1 55.8-124.1 20.6 -28.9 -39.9 -35.6 84 86 A T S S- 0 0 32 0, 0.0 -23,-0.1 0, 0.0 -22,-0.1 -0.918 101.6 -72.9-135.6 167.8 -27.8 -39.6 -39.2 85 87 A D - 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