==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-06 2J4F . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR D.I.KREIMER,E.A.DOLGINOVA,M.RAVES,J.L.SUSSMAN,I.SILMAN, . 527 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 66.2 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 . 27 5.1 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 . 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 . 43 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 27.3 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 3 2 0 1 3 1 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 PARALLEL BRIDGES PER LADDER . 1 0 3 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 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 0 121 0, 0.0 2,-2.3 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 64.5 -11.3 85.4 34.0 2 5 A E T 3 + 0 0 69 1,-0.3 12,-0.0 2,-0.1 23,-0.0 -0.391 360.0 29.2 63.1 -76.0 -8.3 85.4 36.3 3 6 A L T 3 S+ 0 0 46 -2,-2.3 11,-2.5 11,-0.1 2,-0.6 0.816 114.0 66.9 -82.0 -36.4 -10.3 84.5 39.5 4 7 A L E < +A 13 0A 41 -3,-1.0 2,-0.4 9,-0.2 9,-0.2 -0.821 67.8 178.7 -90.8 124.7 -13.0 82.5 37.8 5 8 A V E -A 12 0A 4 7,-2.2 7,-3.5 -2,-0.6 2,-0.4 -0.935 20.6-145.0-125.3 145.6 -11.7 79.3 36.3 6 9 A N E +A 11 0A 95 -2,-0.4 2,-0.3 5,-0.3 5,-0.3 -0.905 24.8 176.4-109.6 138.0 -13.6 76.6 34.5 7 10 A T - 0 0 9 3,-1.3 3,-0.5 -2,-0.4 173,-0.1 -0.876 48.4 -99.3-134.1 172.6 -12.4 73.1 34.9 8 11 A K S S+ 0 0 121 -2,-0.3 3,-0.1 1,-0.3 172,-0.1 0.815 126.7 51.3 -63.1 -27.2 -13.5 69.6 33.8 9 12 A S S S- 0 0 11 1,-0.3 42,-1.9 41,-0.1 -1,-0.3 0.767 128.5 -76.0 -80.3 -29.1 -15.1 69.3 37.2 10 13 A G - 0 0 10 -3,-0.5 -3,-1.3 40,-0.2 2,-0.3 -0.867 60.6 -52.0 152.7 175.3 -17.0 72.6 37.0 11 14 A K E -A 6 0A 46 -5,-0.3 44,-2.1 -2,-0.3 2,-0.5 -0.681 51.3-160.5 -79.8 137.6 -16.4 76.4 37.1 12 15 A V E -Ab 5 55A 0 -7,-3.5 -7,-2.2 -2,-0.3 2,-0.9 -0.974 9.7-149.0-126.4 117.2 -14.6 77.4 40.3 13 16 A M E -Ab 4 56A 76 42,-2.0 44,-3.8 -2,-0.5 -9,-0.2 -0.763 26.0-173.3 -85.6 105.1 -14.8 81.0 41.7 14 17 A G - 0 0 5 -11,-2.5 2,-0.3 -2,-0.9 13,-0.2 0.041 15.6-119.9 -83.3-162.7 -11.5 81.6 43.4 15 18 A T E -C 26 0B 36 11,-3.0 11,-3.0 42,-0.4 2,-0.8 -0.950 14.6-120.6-139.7 156.8 -10.3 84.5 45.5 16 19 A R E -C 25 0B 99 -2,-0.3 9,-0.3 9,-0.2 -13,-0.0 -0.880 32.3-166.8-103.4 107.1 -7.5 87.0 45.3 17 20 A V E -C 24 0B 25 7,-2.9 7,-2.3 -2,-0.8 2,-0.2 -0.756 21.9-117.5 -96.4 142.2 -5.2 86.7 48.3 18 21 A P E -C 23 0B 88 0, 0.0 2,-0.4 0, 0.0 5,-0.3 -0.543 34.4-177.9 -75.2 140.6 -2.6 89.3 49.2 19 22 A V E > -C 22 0B 2 3,-2.1 3,-3.1 -2,-0.2 112,-0.0 -0.979 51.5 -47.1-144.7 128.1 0.9 88.0 49.2 20 23 A L T 3 S- 0 0 74 -2,-0.4 111,-0.0 1,-0.3 110,-0.0 -0.258 126.0 -17.1 51.4-120.6 4.1 89.9 50.1 21 24 A S T 3 S+ 0 0 107 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.466 136.9 35.4 -91.0 -4.0 3.9 93.1 48.2 22 25 A S E < S-C 19 0B 50 -3,-3.1 -3,-2.1 -5,-0.0 2,-0.3 -0.250 80.7 -99.0-127.0-151.2 1.2 91.9 45.8 23 26 A H E -C 18 0B 25 -5,-0.3 2,-0.3 77,-0.1 77,-0.2 -0.849 27.1-162.1-133.3 170.0 -1.9 89.7 45.4 24 27 A I E -C 17 0B 2 -7,-2.3 -7,-2.9 -2,-0.3 2,-0.2 -0.991 27.5-103.8-156.5 151.4 -2.4 86.2 44.1 25 28 A S E -CD 16 98B 1 73,-1.9 73,-1.6 -2,-0.3 2,-0.4 -0.596 38.8-175.1 -76.1 142.9 -5.2 84.0 42.9 26 29 A A E -CD 15 97B 0 -11,-3.0 -11,-3.0 -2,-0.2 2,-0.7 -0.965 14.9-171.2-144.0 119.9 -6.2 81.4 45.5 27 30 A F E - D 0 96B 1 69,-3.1 69,-3.0 -2,-0.4 2,-0.4 -0.914 20.1-174.6-113.9 96.5 -8.7 78.7 44.8 28 31 A L E +m 58 0C 8 29,-2.7 31,-0.6 -2,-0.7 67,-0.2 -0.813 55.5 12.9 -99.2 137.7 -9.3 77.2 48.2 29 32 A G E + 0 0 4 65,-0.5 66,-0.2 -2,-0.4 -1,-0.2 0.755 66.5 168.2 78.9 29.6 -11.5 74.2 48.9 30 33 A I E - D 0 94B 0 64,-2.1 64,-2.9 -3,-0.4 -1,-0.2 -0.591 37.0-124.7 -74.6 124.9 -12.1 72.7 45.4 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.448 33.4 173.9 -69.9 148.6 -13.6 69.3 46.0 32 35 A F + 0 0 2 60,-1.3 16,-0.8 1,-0.4 2,-0.3 0.398 67.8 28.2-129.9 -6.1 -11.7 66.4 44.2 33 36 A A B S-N 47 0D 2 59,-0.8 -1,-0.4 14,-0.3 15,-0.2 -0.976 93.9 -90.1-152.0 151.8 -13.7 63.5 45.6 34 37 A E - 0 0 28 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.486 64.9 -83.6 -65.1 138.2 -17.2 63.0 46.8 35 38 A P - 0 0 28 0, 0.0 2,-1.6 0, 0.0 55,-0.2 -0.211 37.3-137.9 -45.3 116.7 -17.4 63.7 50.6 36 39 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 7,-0.1 -0.047 66.6 117.8 -72.9 36.5 -16.3 60.4 52.2 37 40 A V > + 0 0 56 -2,-1.6 3,-1.8 3,-0.1 4,-0.2 -0.034 56.3 25.6 -86.8-164.2 -19.1 60.8 54.7 38 41 A G G > S- 0 0 51 1,-0.3 3,-1.6 2,-0.2 0, 0.0 -0.001 131.1 -13.9 48.8-144.3 -22.0 58.4 55.2 39 42 A N G 3 S+ 0 0 75 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.199 126.1 76.0 -74.9 15.7 -21.6 54.7 54.2 40 43 A M G X + 0 0 42 -3,-1.8 3,-1.1 -5,-0.1 -1,-0.3 0.408 61.2 129.9-103.8 -2.9 -18.5 55.7 52.3 41 44 A R T < S+ 0 0 14 -3,-1.6 2,-0.3 1,-0.3 3,-0.1 -0.321 87.7 2.7 -52.1 128.0 -16.5 56.0 55.5 42 45 A F T 3 S+ 0 0 2 108,-1.0 -1,-0.3 1,-0.2 123,-0.1 0.034 108.6 118.9 78.7 -30.0 -13.3 53.9 54.9 43 46 A R S < S- 0 0 79 -3,-1.1 -1,-0.2 -2,-0.3 117,-0.1 -0.367 78.5 -89.9 -67.1 147.9 -14.5 53.2 51.4 44 47 A R - 0 0 99 115,-0.4 2,-0.2 1,-0.1 -1,-0.1 -0.106 53.2 -92.0 -52.0 155.5 -12.3 54.5 48.5 45 48 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.495 32.0-144.2 -78.6 137.6 -12.9 58.0 47.3 46 49 A E - 0 0 83 -12,-0.4 -12,-2.9 -2,-0.2 3,-0.1 -0.766 33.9-100.7 -92.0 146.1 -15.4 58.4 44.4 47 50 A P B -N 33 0D 84 0, 0.0 2,-0.7 0, 0.0 -14,-0.3 -0.175 47.3 -88.2 -62.3 163.6 -14.4 61.3 42.1 48 51 A K - 0 0 39 -16,-0.8 3,-0.1 -15,-0.2 -15,-0.0 -0.678 40.5-124.1 -80.0 116.2 -16.2 64.6 42.5 49 52 A K - 0 0 117 -2,-0.7 -1,-0.1 1,-0.1 -16,-0.1 -0.375 42.8 -93.7 -56.9 128.5 -19.4 64.6 40.4 50 53 A P - 0 0 102 0, 0.0 -40,-0.2 0, 0.0 -1,-0.1 -0.126 45.1-147.7 -48.7 129.0 -19.2 67.7 38.2 51 54 A W - 0 0 37 -42,-1.9 2,-0.4 -3,-0.1 -40,-0.1 -0.337 3.5-134.2 -91.0 179.7 -20.9 70.6 39.8 52 55 A S + 0 0 119 -42,-0.1 -42,-0.0 -2,-0.1 -43,-0.0 -0.992 67.5 28.3-135.9 144.6 -22.7 73.4 38.0 53 56 A G S S- 0 0 44 -2,-0.4 -42,-0.2 2,-0.1 -2,-0.1 0.078 110.1 -47.6 82.3 151.5 -22.4 77.1 38.7 54 57 A V - 0 0 73 -42,-0.1 2,-0.7 -44,-0.1 -42,-0.3 -0.282 53.5-134.4 -58.8 134.9 -19.2 78.6 40.1 55 58 A W E -b 12 0A 63 -44,-2.1 -42,-2.0 -4,-0.1 2,-0.8 -0.857 24.0-125.0 -90.2 116.3 -17.9 76.7 43.0 56 59 A N E +b 13 0A 95 -2,-0.7 3,-0.3 -44,-0.2 -42,-0.2 -0.527 36.0 173.9 -67.4 105.7 -16.9 79.3 45.6 57 60 A A + 0 0 0 -44,-3.8 -29,-2.7 -2,-0.8 -42,-0.4 -0.380 45.0 104.7-108.1 50.2 -13.3 78.6 46.3 58 61 A S B +m 28 0C 39 -44,-0.2 2,-0.4 -31,-0.2 -1,-0.2 0.473 69.5 57.5-108.5 -4.6 -12.6 81.5 48.5 59 62 A T S S- 0 0 91 -31,-0.6 -1,-0.1 -3,-0.3 -32,-0.0 -0.989 90.4 -99.1-135.5 130.8 -12.5 79.9 51.9 60 63 A Y - 0 0 44 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 0.051 42.8-115.5 -41.5 139.8 -10.3 77.1 53.2 61 64 A P - 0 0 10 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 -0.199 36.6 -87.1 -73.9 171.2 -12.0 73.7 53.3 62 65 A N - 0 0 48 28,-0.4 2,-0.4 -33,-0.1 25,-0.2 -0.253 43.7-115.1 -71.7 168.5 -12.7 71.7 56.5 63 66 A N B -o 87 0E 4 23,-1.0 25,-2.4 22,-0.1 3,-0.1 -0.866 31.0-104.0-109.2 140.4 -10.0 69.5 57.9 64 67 A a - 0 0 3 -2,-0.4 25,-0.2 56,-0.3 56,-0.2 -0.226 51.3 -83.7 -57.7 154.0 -10.4 65.7 58.1 65 68 A Q + 0 0 27 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.423 68.5 157.3 -60.6 128.6 -11.2 64.3 61.5 66 69 A Q - 0 0 2 -2,-0.2 2,-0.7 -3,-0.1 53,-0.2 -0.973 51.7 -84.0-153.2 162.3 -8.0 63.9 63.3 67 70 A Y - 0 0 81 51,-1.1 51,-0.0 -2,-0.3 81,-0.0 -0.597 46.7-145.2 -69.4 108.4 -6.5 63.6 66.8 68 71 A V - 0 0 46 -2,-0.7 2,-0.7 14,-0.1 11,-0.1 -0.352 15.9-122.2 -67.6 165.6 -6.1 67.2 67.9 69 72 A D > + 0 0 16 1,-0.1 3,-0.5 9,-0.1 13,-0.1 -0.821 39.0 164.4-120.2 96.7 -3.1 67.7 70.1 70 73 A E T 3 + 0 0 144 -2,-0.7 -1,-0.1 1,-0.2 9,-0.1 0.391 45.1 111.1 -88.6 3.9 -3.9 69.2 73.5 71 74 A Q T 3 S+ 0 0 91 1,-0.3 -1,-0.2 7,-0.1 -2,-0.0 0.662 96.7 15.4 -52.8 -20.4 -0.5 68.3 74.9 72 75 A F S X S- 0 0 30 -3,-0.5 3,-2.5 3,-0.1 7,-0.4 -0.380 89.9-147.8-154.5 68.9 0.4 72.0 75.1 73 76 A P T 3 S- 0 0 97 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.022 80.8 -0.7 -42.8 126.0 -2.9 74.0 74.7 74 77 A G T 3 S+ 0 0 67 1,-0.2 2,-0.7 2,-0.1 3,-0.1 0.366 94.6 133.8 73.5 -9.8 -2.4 77.3 73.0 75 78 A F X> - 0 0 35 -3,-2.5 4,-3.2 1,-0.2 3,-1.6 -0.675 52.7-146.5 -76.0 115.9 1.3 76.6 72.6 76 79 A S H 3> S+ 0 0 69 -2,-0.7 4,-3.5 1,-0.3 5,-0.4 0.954 93.2 65.7 -45.5 -61.9 2.1 77.6 69.0 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.693 119.3 24.1 -34.7 -33.2 4.7 74.9 68.6 78 81 A S H X4 S+ 0 0 1 -3,-1.6 3,-1.5 -6,-0.3 -1,-0.2 0.811 123.1 51.9-101.8 -45.9 2.0 72.3 69.0 79 82 A E H >< S+ 0 0 63 -4,-3.2 3,-2.4 -7,-0.4 -3,-0.2 0.844 92.5 73.8 -61.2 -34.5 -1.1 74.2 68.0 80 83 A M T 3< S+ 0 0 50 -4,-3.5 46,-0.3 1,-0.3 45,-0.3 0.701 102.7 44.9 -54.4 -19.3 0.4 75.3 64.7 81 84 A W T < S+ 0 0 45 -3,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.444 91.5 100.6-102.9 -7.6 -0.1 71.7 63.6 82 85 A N S < S- 0 0 9 -3,-2.4 -14,-0.1 -4,-0.2 39,-0.0 -0.596 92.0 -85.4 -82.4 145.4 -3.7 71.2 64.9 83 86 A P - 0 0 20 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.240 41.1-166.3 -50.7 122.4 -6.6 71.4 62.5 84 87 A N + 0 0 68 -4,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.098 65.4 56.2-100.5 15.4 -7.4 75.1 62.3 85 88 A R S S- 0 0 88 3,-0.0 2,-0.2 39,-0.0 -22,-0.1 -0.884 108.5 -67.7-136.3 167.4 -10.8 74.8 60.6 86 89 A E - 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