==== 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 23-JUN-96 1VOT . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR M.L.RAVES,M.HAREL,I.SILMAN,J.L.SUSSMAN . 529 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 40 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 27.0 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 2 1 1 3 3 1 0 3 0 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 1 0 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 . 1 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 0 118 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.8 -11.8 88.4 35.7 2 5 A E T 3 + 0 0 57 1,-0.3 23,-0.1 3,-0.0 100,-0.0 0.763 360.0 47.0 -58.1 -28.0 -8.5 87.3 37.2 3 6 A L T 3 S+ 0 0 28 11,-0.1 11,-3.0 10,-0.0 2,-0.5 0.466 94.4 84.3 -95.2 -6.1 -10.4 85.6 40.1 4 7 A L E < +A 13 0A 61 -3,-1.8 2,-0.3 9,-0.2 9,-0.2 -0.877 56.7 173.0-101.0 130.1 -12.9 83.8 38.0 5 8 A V E -A 12 0A 3 7,-1.8 7,-2.6 -2,-0.5 2,-0.5 -0.989 24.3-144.7-136.0 144.1 -11.7 80.5 36.6 6 9 A N E +A 11 0A 93 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.946 24.4 178.3-109.8 123.9 -13.6 77.7 34.8 7 10 A T E > -A 10 0A 9 3,-2.6 3,-1.3 -2,-0.5 173,-0.1 -0.810 48.5 -98.2-120.8 170.0 -12.5 74.2 35.5 8 11 A K T 3 S+ 0 0 120 -2,-0.3 3,-0.1 171,-0.3 172,-0.1 0.561 124.9 52.5 -63.5 -5.1 -13.7 70.9 34.3 9 12 A S T 3 S- 0 0 17 1,-0.5 42,-2.6 41,-0.1 2,-0.3 0.672 125.2 -73.0-103.6 -21.3 -15.8 70.8 37.5 10 13 A G E < -A 7 0A 12 -3,-1.3 -3,-2.6 40,-0.2 -1,-0.5 -0.905 67.0 -51.1 151.2-175.3 -17.5 74.2 37.4 11 14 A K E -Ab 6 54A 79 42,-0.9 44,-2.5 -2,-0.3 2,-0.4 -0.645 47.0-156.2 -89.4 156.7 -16.5 77.8 37.9 12 15 A V E -Ab 5 55A 0 -7,-2.6 -7,-1.8 42,-0.3 2,-0.6 -0.997 5.2-150.2-135.7 130.4 -14.6 78.9 40.9 13 16 A M E -Ab 4 56A 69 42,-3.8 44,-3.1 -2,-0.4 -9,-0.2 -0.876 22.0-171.9-105.5 113.1 -14.5 82.5 42.3 14 17 A G - 0 0 5 -11,-3.0 2,-0.3 -2,-0.6 13,-0.2 0.060 14.7-123.2 -86.2-157.2 -11.3 83.3 44.1 15 18 A T E -C 26 0B 42 11,-2.3 11,-2.9 42,-0.2 2,-0.5 -0.982 17.3-117.5-152.5 148.5 -10.1 86.2 46.2 16 19 A R E -C 25 0B 89 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.778 31.7-167.6 -90.5 128.5 -7.3 88.6 45.9 17 20 A V E -C 24 0B 24 7,-3.5 7,-2.0 -2,-0.5 2,-0.1 -0.960 18.0-124.7-122.6 139.1 -4.9 88.5 48.8 18 21 A P E +C 23 0B 75 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.359 32.5 171.8 -72.8 160.0 -2.2 91.0 49.7 19 22 A V E > -C 22 0B 6 3,-1.9 3,-2.6 -2,-0.1 -2,-0.0 -0.820 59.6 -16.9-171.5 130.7 1.4 89.8 50.0 20 23 A L T 3 S- 0 0 45 1,-0.3 3,-0.1 -2,-0.2 430,-0.0 0.786 126.2 -48.0 34.5 54.9 4.7 91.6 50.4 21 24 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.658 133.8 61.1 68.5 17.5 3.4 95.0 49.2 22 25 A S E < S-C 19 0B 46 -3,-2.6 -3,-1.9 -5,-0.0 2,-0.3 -0.573 78.8-115.3-146.0-156.7 1.7 93.5 46.2 23 26 A H E -C 18 0B 84 -5,-0.3 77,-0.5 -2,-0.2 2,-0.3 -0.924 18.1-172.6-148.6 172.0 -1.1 90.9 45.7 24 27 A I E -C 17 0B 1 -7,-2.0 -7,-3.5 -2,-0.3 2,-0.3 -0.946 31.4-100.9-157.5 168.8 -2.0 87.5 44.3 25 28 A S E -CD 16 98B 2 73,-2.8 73,-2.9 -2,-0.3 2,-0.4 -0.725 29.0-166.4 -96.4 154.8 -5.1 85.5 43.8 26 29 A A E -CD 15 97B 0 -11,-2.9 -11,-2.3 -2,-0.3 2,-0.6 -1.000 13.4-169.1-141.8 132.8 -6.2 82.7 46.0 27 30 A F E - D 0 96B 1 69,-2.3 69,-2.9 -2,-0.4 2,-0.4 -0.967 25.5-173.1-120.8 104.1 -8.9 80.1 45.3 28 31 A L E +m 58 0C 15 29,-3.0 31,-0.6 -2,-0.6 67,-0.2 -0.855 55.3 14.4-106.7 138.7 -9.3 78.5 48.7 29 32 A G E + 0 0 4 -2,-0.4 -1,-0.2 65,-0.3 66,-0.2 0.910 67.2 170.3 72.2 45.2 -11.4 75.5 49.5 30 33 A I E - D 0 94B 0 64,-2.9 64,-2.6 -3,-0.3 -1,-0.2 -0.762 35.5-124.7 -87.2 123.9 -12.0 74.1 46.0 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 17,-0.1 -0.496 30.2 178.9 -72.0 140.3 -13.6 70.7 46.6 32 35 A F + 0 0 3 60,-1.2 16,-0.4 -2,-0.2 2,-0.3 0.354 65.1 19.8-120.1 4.5 -11.8 67.8 44.9 33 36 A A S S- 0 0 2 59,-0.6 -1,-0.2 14,-0.2 15,-0.2 -0.977 91.7 -79.4-163.3 163.1 -14.0 64.9 46.0 34 37 A E - 0 0 40 12,-2.6 12,-0.4 -2,-0.3 14,-0.1 -0.571 64.4 -93.4 -71.4 135.9 -17.5 64.1 47.3 35 38 A P - 0 0 33 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.339 36.5-135.9 -51.8 119.6 -17.6 64.9 51.1 36 39 A P + 0 0 0 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.323 57.9 130.9 -76.5 52.0 -16.7 61.5 52.6 37 40 A V > + 0 0 63 -2,-1.8 3,-2.1 3,-0.1 4,-0.1 -0.359 52.2 9.1 -98.4-179.1 -19.4 61.6 55.3 38 41 A G G > S- 0 0 47 1,-0.3 3,-2.7 2,-0.2 0, 0.0 -0.097 133.0 -4.5 52.4-142.2 -22.0 59.1 56.3 39 42 A N G 3 S+ 0 0 97 1,-0.3 -1,-0.3 3,-0.1 225,-0.1 0.565 127.5 72.0 -60.6 -5.7 -21.8 55.7 54.9 40 43 A M G X + 0 0 44 -3,-2.1 3,-1.8 -5,-0.1 -1,-0.3 0.585 68.5 120.8 -86.4 -8.5 -18.9 56.9 52.8 41 44 A R T < S+ 0 0 13 -3,-2.7 3,-0.1 1,-0.3 -4,-0.1 -0.341 84.3 10.0 -58.4 131.8 -16.7 57.1 55.9 42 45 A F T 3 S+ 0 0 1 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.142 105.7 122.2 82.2 -17.9 -13.6 54.9 55.5 43 46 A R S < S- 0 0 39 -3,-1.8 -1,-0.3 118,-0.2 117,-0.1 -0.331 75.6 -91.3 -73.3 158.1 -14.6 54.5 51.8 44 47 A R - 0 0 109 115,-0.4 -1,-0.1 1,-0.1 122,-0.1 -0.345 56.7 -93.7 -63.9 151.0 -12.3 55.4 48.9 45 48 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.202 34.4-142.4 -68.9 159.1 -12.9 59.0 47.8 46 49 A E - 0 0 103 -12,-0.4 -12,-2.6 -3,-0.1 3,-0.0 -0.925 24.3-103.4-119.7 146.8 -15.2 59.9 45.0 47 50 A P - 0 0 86 0, 0.0 2,-0.7 0, 0.0 -14,-0.2 -0.277 47.7 -96.5 -63.8 154.8 -14.7 62.6 42.4 48 51 A K - 0 0 47 -16,-0.4 3,-0.1 -15,-0.2 -14,-0.0 -0.656 33.0-121.8 -81.1 111.0 -16.7 65.7 43.0 49 52 A K - 0 0 78 -2,-0.7 -16,-0.1 1,-0.1 -1,-0.1 -0.257 44.7-105.0 -45.7 125.8 -20.0 65.8 41.0 50 53 A P - 0 0 94 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.112 39.4-147.3 -54.2 160.9 -19.5 69.0 39.0 51 54 A W - 0 0 43 -42,-2.6 2,-0.3 2,-0.1 -40,-0.1 -0.658 2.6-129.1-124.2 178.1 -21.5 71.9 40.1 52 55 A S S S+ 0 0 120 -2,-0.2 2,-0.0 -42,-0.1 -42,-0.0 -0.907 71.1 32.5-125.6 160.8 -23.1 74.9 38.4 53 56 A G S S- 0 0 37 -2,-0.3 -42,-0.9 2,-0.1 2,-0.3 -0.223 107.9 -52.5 77.7 169.7 -22.8 78.6 39.3 54 57 A V E -b 11 0A 75 -44,-0.1 2,-0.5 -42,-0.1 -42,-0.3 -0.687 48.3-132.2 -86.0 140.7 -19.5 79.8 40.7 55 58 A W E -b 12 0A 68 -44,-2.5 -42,-3.8 -2,-0.3 2,-1.0 -0.787 25.8-125.9 -84.6 129.5 -18.0 78.0 43.7 56 59 A N E +b 13 0A 98 -2,-0.5 3,-0.3 -44,-0.2 -42,-0.2 -0.705 34.1 175.3 -80.2 106.1 -17.1 80.8 46.2 57 60 A A + 0 0 0 -44,-3.1 -29,-3.0 -2,-1.0 -42,-0.2 -0.219 42.0 113.5-104.1 45.6 -13.4 80.0 46.8 58 61 A S B +m 28 0C 36 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.507 69.7 41.7 -94.6 -5.0 -12.8 83.0 48.9 59 62 A T S S- 0 0 88 -31,-0.6 -1,-0.2 -3,-0.3 -3,-0.0 -0.974 88.1 -91.6-149.8 139.8 -12.2 81.4 52.3 60 63 A Y - 0 0 36 -2,-0.3 -32,-0.1 1,-0.1 -2,-0.1 0.148 45.1-119.9 -43.1 148.4 -10.3 78.4 53.8 61 64 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.210 33.2 -78.5 -85.8 177.6 -12.1 75.1 54.1 62 65 A N - 0 0 57 28,-0.4 2,-0.3 1,-0.1 25,-0.2 -0.221 46.5-119.6 -71.3 166.3 -12.9 72.9 57.1 63 66 A N B -n 87 0D 4 23,-2.3 25,-2.7 22,-0.1 27,-0.1 -0.824 30.0-100.1-110.7 147.4 -10.2 70.7 58.5 64 67 A a - 0 0 3 -2,-0.3 25,-0.2 56,-0.3 56,-0.2 -0.340 49.3 -90.1 -65.8 150.5 -10.5 67.0 58.7 65 68 A Q + 0 0 28 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.357 68.5 148.0 -57.9 138.8 -11.4 65.6 62.1 66 69 A Q - 0 0 2 -3,-0.1 2,-0.2 80,-0.1 53,-0.1 -0.987 52.6 -72.7-170.5 163.5 -8.3 64.9 64.0 67 70 A Y - 0 0 80 51,-0.9 2,-0.4 -2,-0.3 81,-0.0 -0.395 45.9-145.4 -64.2 128.2 -6.5 64.8 67.3 68 71 A V - 0 0 44 -2,-0.2 2,-0.9 14,-0.1 14,-0.1 -0.814 15.1-123.1 -99.3 134.5 -5.9 68.2 68.7 69 72 A D + 0 0 22 -2,-0.4 3,-0.2 9,-0.2 13,-0.1 -0.714 40.0 161.9 -81.2 111.7 -2.7 68.8 70.6 70 73 A E + 0 0 139 -2,-0.9 -1,-0.1 1,-0.1 9,-0.1 0.305 39.3 110.3-110.4 11.7 -3.7 70.1 74.0 71 74 A Q S S+ 0 0 97 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.764 92.4 23.4 -55.5 -33.0 -0.4 69.4 75.8 72 75 A F S > S- 0 0 30 -3,-0.2 3,-3.3 3,-0.1 -1,-0.3 -0.463 83.9-159.0-136.7 65.1 0.6 73.0 76.1 73 76 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.120 81.7 15.7 -46.3 132.3 -2.7 75.0 76.0 74 77 A G T 3 S+ 0 0 62 1,-0.2 2,-0.8 2,-0.1 3,-0.1 0.149 90.5 128.0 85.7 -18.6 -1.9 78.6 75.0 75 78 A F X> - 0 0 32 -3,-3.3 4,-2.5 1,-0.2 3,-2.0 -0.588 47.3-159.4 -76.2 112.3 1.6 77.7 73.8 76 79 A S H 3> S+ 0 0 70 -2,-0.8 4,-2.7 1,-0.3 5,-0.2 0.950 86.9 69.3 -54.6 -45.6 1.8 79.2 70.3 77 80 A G H 34 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.577 115.1 23.8 -51.1 -14.1 4.6 76.8 69.5 78 81 A S H X4 S+ 0 0 1 -3,-2.0 3,-1.0 -6,-0.2 -1,-0.3 0.584 119.0 57.8-122.7 -27.8 2.2 73.8 69.6 79 82 A E H >< S+ 0 0 77 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.710 88.8 74.8 -78.8 -16.2 -1.1 75.5 68.9 80 83 A M T 3< S+ 0 0 56 -4,-2.7 45,-0.4 1,-0.3 46,-0.3 0.700 98.4 49.3 -68.8 -16.5 0.2 76.8 65.6 81 84 A W T < S+ 0 0 52 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.408 90.8 100.0 -97.0 -5.9 -0.2 73.2 64.3 82 85 A N S < S- 0 0 19 -3,-1.5 -14,-0.1 1,-0.1 39,-0.1 -0.558 92.3 -80.5 -83.7 156.0 -3.7 72.6 65.6 83 86 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.232 39.9-168.1 -51.7 127.7 -6.7 72.9 63.3 84 87 A N + 0 0 65 2,-0.1 2,-0.3 -4,-0.1 3,-0.0 0.136 66.0 54.4-107.9 19.9 -7.6 76.6 62.9 85 88 A R S S- 0 0 112 1,-0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.921 106.2 -69.5-143.3 165.3 -11.0 76.0 61.3 86 89 A E - 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