==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(CARBOXYLIC ESTERASE) 18-AUG-93 1ACJ . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR J.L.SUSSMAN,M.HAREL,I.SILMAN . 528 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 5.5 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 . 4 0.8 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 4 0 0 3 3 0 1 3 1 0 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 4 A S 0 0 132 0, 0.0 2,-1.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-121.3 -12.2 87.9 35.9 2 5 A E + 0 0 62 2,-0.5 23,-0.0 1,-0.2 3,-0.0 -0.445 360.0 34.6 82.7 -54.4 -8.8 87.7 37.7 3 6 A L S S+ 0 0 42 -2,-1.8 11,-1.9 11,-0.1 2,-0.5 0.418 107.9 77.1-103.7 -7.3 -10.7 86.4 40.6 4 7 A L E +A 13 0A 43 9,-0.2 -2,-0.5 7,-0.0 2,-0.4 -0.950 60.2 175.5-107.1 127.9 -13.4 84.5 38.7 5 8 A V E -A 12 0A 3 7,-2.5 7,-2.6 -2,-0.5 2,-0.5 -0.986 24.6-145.6-134.4 142.0 -12.2 81.2 37.3 6 9 A N E -A 11 0A 104 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.915 24.4-177.1-101.5 129.9 -14.1 78.5 35.5 7 10 A T E > -A 10 0A 12 3,-2.5 3,-0.9 -2,-0.5 173,-0.1 -0.828 45.4 -99.9-119.8 166.4 -12.8 75.1 36.4 8 11 A K T 3 S+ 0 0 127 171,-0.3 3,-0.1 -2,-0.3 172,-0.1 0.678 125.1 48.2 -61.5 -14.6 -14.0 71.8 35.0 9 12 A S T 3 S- 0 0 19 1,-0.4 42,-2.3 41,-0.1 2,-0.3 0.673 126.8 -64.6 -96.0 -21.4 -16.2 71.4 38.2 10 13 A G E < -A 7 0A 13 -3,-0.9 -3,-2.5 40,-0.2 -1,-0.4 -0.944 64.9 -54.3 160.5-177.4 -17.7 74.9 38.3 11 14 A K E -Ab 6 54A 81 42,-1.0 44,-2.8 -2,-0.3 2,-0.4 -0.631 44.6-162.1 -91.1 153.9 -16.9 78.6 38.7 12 15 A V E -Ab 5 55A 0 -7,-2.6 -7,-2.5 42,-0.3 2,-0.4 -0.999 9.7-155.3-140.5 138.3 -15.0 80.0 41.7 13 16 A M E -Ab 4 56A 74 42,-2.6 44,-3.1 -2,-0.4 -9,-0.2 -0.940 21.3-177.2-108.1 127.0 -14.7 83.5 43.1 14 17 A G - 0 0 4 -11,-1.9 2,-0.3 -2,-0.4 13,-0.2 -0.111 19.9-109.6-107.1-152.9 -11.5 84.2 45.1 15 18 A T E -C 26 0B 45 11,-2.6 11,-2.6 42,-0.2 2,-0.6 -0.966 17.0-120.1-142.1 155.8 -10.2 87.1 47.0 16 19 A R E -C 25 0B 92 -2,-0.3 9,-0.3 9,-0.2 -13,-0.0 -0.884 36.6-165.1 -95.1 124.3 -7.5 89.6 46.6 17 20 A V E -C 24 0B 20 7,-2.5 7,-1.3 -2,-0.6 2,-0.2 -0.917 21.0-115.2-113.1 141.4 -5.2 89.2 49.6 18 21 A P E -C 23 0B 93 0, 0.0 2,-0.4 0, 0.0 5,-0.3 -0.521 30.4-174.6 -69.8 139.7 -2.5 91.7 50.7 19 22 A V E > -C 22 0B 0 3,-1.9 3,-3.0 -2,-0.2 2,-0.2 -0.947 58.8 -55.7-138.1 112.6 1.0 90.4 50.5 20 23 A L T 3 S- 0 0 83 -2,-0.4 111,-0.0 1,-0.3 430,-0.0 -0.405 124.8 -14.6 58.2-117.5 3.6 92.7 51.8 21 24 A S T 3 S+ 0 0 108 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.318 136.2 36.0 -97.8 2.4 3.2 95.8 49.8 22 25 A S E < S-C 19 0B 54 -3,-3.0 -3,-1.9 -5,-0.0 2,-0.3 -0.312 78.9-101.6-130.9-148.7 0.9 94.4 47.1 23 26 A H E -C 18 0B 32 -5,-0.3 77,-0.3 77,-0.1 2,-0.3 -0.839 19.5-171.8-141.0 174.8 -1.9 91.8 46.6 24 27 A I E -C 17 0B 1 -7,-1.3 -7,-2.5 -2,-0.3 2,-0.4 -0.906 32.1-102.8-158.1 173.1 -2.4 88.3 45.2 25 28 A S E -CD 16 98B 1 73,-2.7 73,-2.5 -2,-0.3 2,-0.4 -0.853 33.7-169.5-107.3 147.9 -5.4 86.3 44.5 26 29 A A E -CD 15 97B 0 -11,-2.6 -11,-2.6 -2,-0.4 2,-0.5 -0.999 13.6-169.5-140.1 136.1 -6.5 83.5 46.8 27 30 A F E - D 0 96B 1 69,-2.6 69,-2.7 -2,-0.4 2,-0.4 -0.972 20.3-175.9-123.6 106.1 -9.0 80.9 46.3 28 31 A L E + 0 0 11 29,-2.4 31,-0.5 -2,-0.5 67,-0.2 -0.845 56.2 15.9-108.5 146.6 -9.6 79.2 49.7 29 32 A G E + 0 0 7 -2,-0.4 66,-0.2 1,-0.2 -1,-0.2 0.797 65.7 168.9 73.1 30.6 -11.8 76.2 50.3 30 33 A I E - D 0 94B 0 64,-2.4 64,-1.7 -3,-0.3 -1,-0.2 -0.646 36.0-125.9 -77.8 124.2 -12.4 74.7 46.8 31 34 A P E + D 0 93B 3 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.407 30.5 178.2 -69.7 147.6 -14.0 71.3 47.4 32 35 A F + 0 0 2 60,-1.2 16,-0.5 1,-0.3 2,-0.3 0.397 62.8 18.1-129.3 1.4 -12.3 68.4 45.7 33 36 A A E S-M 47 0C 2 59,-0.6 -1,-0.3 14,-0.3 15,-0.1 -0.958 92.7 -78.7-160.4 165.9 -14.3 65.3 46.7 34 37 A E E -M 46 0C 23 12,-2.6 12,-0.5 -2,-0.3 14,-0.1 -0.656 63.4 -91.6 -76.0 134.2 -17.8 64.6 48.1 35 38 A P - 0 0 35 0, 0.0 2,-2.7 0, 0.0 55,-0.2 -0.175 35.4-136.3 -47.3 117.6 -17.9 65.2 51.9 36 39 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.339 59.4 127.5 -81.8 61.7 -17.0 61.9 53.4 37 40 A V > + 0 0 60 -2,-2.7 3,-2.4 4,-0.1 4,-0.1 -0.470 54.0 8.8-106.2-179.4 -19.7 62.1 56.0 38 41 A G G > S- 0 0 51 1,-0.3 3,-2.0 2,-0.2 0, 0.0 -0.181 133.8 -1.1 55.7-136.0 -22.4 59.7 57.0 39 42 A N G 3 S+ 0 0 77 1,-0.3 -1,-0.3 3,-0.1 225,-0.0 0.490 128.0 69.4 -66.6 -2.4 -22.3 56.3 55.5 40 43 A M G X + 0 0 52 -3,-2.4 3,-2.0 -5,-0.1 -1,-0.3 0.478 67.2 122.7 -94.3 -4.8 -19.2 57.4 53.6 41 44 A R T < S+ 0 0 13 -3,-2.0 3,-0.1 1,-0.3 -4,-0.1 -0.382 82.8 11.2 -58.2 138.4 -17.0 57.6 56.7 42 45 A F T 3 S+ 0 0 5 108,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.230 106.2 115.8 77.9 -13.0 -14.0 55.3 56.2 43 46 A R S < S- 0 0 52 -3,-2.0 -1,-0.3 118,-0.1 117,-0.1 -0.481 78.0 -89.3 -90.8 162.6 -14.7 54.9 52.6 44 47 A R - 0 0 128 115,-0.4 -1,-0.1 -2,-0.2 2,-0.1 -0.354 55.8 -94.1 -63.9 149.9 -12.6 56.0 49.7 45 48 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.337 31.5-138.8 -72.9 144.7 -13.3 59.6 48.5 46 49 A E E -M 34 0C 88 -12,-0.5 -12,-2.6 -3,-0.1 3,-0.1 -0.787 28.4-105.1 -95.6 148.6 -15.7 60.3 45.6 47 50 A P E -M 33 0C 92 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.396 50.7 -97.5 -65.6 145.6 -14.9 63.0 43.1 48 51 A K - 0 0 49 -16,-0.5 3,-0.1 -15,-0.1 -14,-0.0 -0.484 30.4-117.4 -75.0 134.9 -17.0 66.0 43.7 49 52 A K - 0 0 135 -2,-0.2 -1,-0.1 1,-0.1 -16,-0.1 -0.418 42.2-104.4 -64.4 137.1 -20.2 66.5 41.8 50 53 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.137 37.0-139.7 -60.8 162.4 -19.9 69.8 39.8 51 54 A W - 0 0 33 -42,-2.3 2,-0.2 2,-0.1 -40,-0.2 -0.827 2.2-135.8-125.0 162.2 -21.7 72.8 40.9 52 55 A S S S+ 0 0 113 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.624 72.8 29.8-104.3 168.7 -23.6 75.5 39.4 53 56 A G S S- 0 0 43 -2,-0.2 -42,-1.0 2,-0.0 2,-0.4 -0.462 107.4 -54.4 79.6-161.8 -23.2 79.1 40.4 54 57 A V E -b 11 0A 78 -44,-0.1 2,-0.5 -2,-0.1 -42,-0.3 -0.957 46.7-131.6-120.0 138.1 -20.0 80.4 41.7 55 58 A W E -b 12 0A 71 -44,-2.8 -42,-2.6 -2,-0.4 2,-0.7 -0.770 24.4-129.3 -87.4 134.0 -18.3 78.7 44.6 56 59 A N E +b 13 0A 99 -2,-0.5 3,-0.2 -44,-0.2 -42,-0.2 -0.794 28.7 179.7 -86.9 117.6 -17.3 81.4 47.0 57 60 A A + 0 0 0 -44,-3.1 -29,-2.4 -2,-0.7 -42,-0.2 -0.394 44.0 110.2-114.6 54.3 -13.7 80.7 47.8 58 61 A S + 0 0 40 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.454 69.5 44.7-105.2 -5.2 -13.0 83.6 50.2 59 62 A T S S- 0 0 98 -31,-0.5 -44,-0.0 -3,-0.2 -31,-0.0 -0.906 87.8 -93.2-135.5 164.0 -12.6 81.9 53.5 60 63 A Y - 0 0 49 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.431 42.8-116.7 -74.5 156.1 -10.7 78.8 54.8 61 64 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 62,-0.1 -0.212 37.7 -82.2 -80.4 177.2 -12.5 75.5 55.0 62 65 A N - 0 0 58 28,-0.3 2,-0.2 23,-0.1 25,-0.2 -0.359 46.8-118.0 -72.5 163.2 -13.2 73.5 58.1 63 66 A N B -n 87 0D 4 23,-2.3 25,-2.5 1,-0.1 58,-0.1 -0.644 29.9-102.6-101.4 157.8 -10.4 71.4 59.4 64 67 A a - 0 0 7 56,-0.4 25,-0.2 -2,-0.2 56,-0.1 -0.403 49.2 -86.8 -74.2 164.0 -10.7 67.7 59.7 65 68 A Q + 0 0 26 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.427 66.3 145.6 -68.5 144.2 -11.4 66.2 63.1 66 69 A Q - 0 0 4 -2,-0.1 2,-0.5 -3,-0.1 53,-0.2 -0.972 54.4 -71.9-167.0 174.2 -8.3 65.6 65.1 67 70 A Y - 0 0 85 51,-0.9 2,-0.3 -2,-0.3 51,-0.0 -0.670 45.8-139.2 -81.4 124.0 -6.8 65.5 68.5 68 71 A V - 0 0 47 -2,-0.5 2,-0.8 14,-0.1 14,-0.1 -0.652 16.5-128.7 -82.6 138.3 -6.4 69.1 69.8 69 72 A D + 0 0 23 -2,-0.3 3,-0.2 9,-0.1 12,-0.1 -0.755 41.1 157.2 -92.4 118.4 -3.1 69.5 71.6 70 73 A E + 0 0 132 -2,-0.8 -1,-0.1 1,-0.1 -2,-0.0 -0.117 32.7 117.2-129.5 40.3 -3.6 71.1 74.9 71 74 A Q S S+ 0 0 78 1,-0.3 -1,-0.1 4,-0.1 -2,-0.0 0.711 95.5 22.5 -76.2 -20.1 -0.5 70.0 76.8 72 75 A F S > S- 0 0 33 -3,-0.2 3,-2.2 3,-0.1 -1,-0.3 -0.555 92.7-154.0-141.5 69.3 0.5 73.7 77.1 73 76 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.192 77.7 9.7 -55.7 136.8 -2.8 75.5 76.8 74 77 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 2,-0.1 3,-0.0 0.094 92.3 131.7 84.1 -22.8 -2.4 79.0 75.5 75 78 A F X> - 0 0 38 -3,-2.2 4,-2.9 1,-0.2 3,-1.6 -0.472 51.3-149.6 -68.7 121.8 1.2 78.5 74.7 76 79 A S H 3> S+ 0 0 65 -2,-0.4 4,-3.0 1,-0.3 5,-0.2 0.905 91.3 67.6 -57.4 -41.5 1.9 79.7 71.2 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.763 117.2 24.6 -52.3 -25.0 4.6 77.2 70.5 78 81 A S H X4 S+ 0 0 0 -3,-1.6 3,-1.9 -6,-0.3 -1,-0.2 0.769 118.4 59.4-104.6 -41.1 2.0 74.4 70.6 79 82 A E H >< S+ 0 0 73 -4,-2.9 3,-2.7 -7,-0.3 -3,-0.2 0.843 88.3 73.4 -57.6 -36.2 -1.0 76.3 69.7 80 83 A M T 3< S+ 0 0 61 -4,-3.0 46,-0.3 1,-0.3 -1,-0.3 0.741 99.8 48.7 -52.9 -21.5 0.4 77.4 66.4 81 84 A W T < S+ 0 0 67 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.316 90.1 100.2-100.3 5.8 -0.2 73.8 65.2 82 85 A N S < S- 0 0 20 -3,-2.7 -14,-0.1 1,-0.1 39,-0.0 -0.687 89.9 -81.9 -96.6 154.4 -3.8 73.3 66.3 83 86 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.238 39.4-168.1 -52.3 123.7 -6.8 73.5 64.1 84 87 A N + 0 0 67 2,-0.1 2,-0.3 -4,-0.1 -2,-0.0 0.034 66.8 52.4-102.1 23.0 -7.6 77.2 63.8 85 88 A R S S- 0 0 82 39,-0.0 -23,-0.1 0, 0.0 2,-0.1 -0.915 105.1 -67.9-146.6 169.5 -11.0 76.6 62.2 86 89 A E - 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