==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 01-MAY-12 4EY5 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.CHEUNG,M.RUDOLPH,F.BURSHTEYN,M.CASSIDY,E.GARY,J.LOVE,J.HEI . 1065 6 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 688 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 6.4 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 55 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 8 2 4 4 2 2 2 4 0 2 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 4 2 4 2 2 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 . 7 0 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 E 0 0 194 0, 0.0 2,-0.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 133.3 2.0 -34.8 68.2 2 5 A D > - 0 0 41 1,-0.1 3,-1.2 3,-0.1 0, 0.0 -0.779 360.0-162.2 -92.0 114.5 4.1 -36.3 65.4 3 6 A A G > S+ 0 0 74 -2,-0.7 3,-1.3 1,-0.3 -1,-0.1 0.726 85.1 66.9 -69.5 -23.3 6.6 -33.8 64.1 4 7 A E G 3 S+ 0 0 62 1,-0.3 -1,-0.3 3,-0.0 100,-0.1 0.734 98.1 54.5 -69.0 -22.1 7.2 -35.7 60.8 5 8 A L G < S+ 0 0 18 -3,-1.2 11,-3.0 11,-0.1 2,-0.5 0.169 91.2 86.7 -99.5 14.0 3.6 -34.9 59.8 6 9 A L E < +A 15 0A 70 -3,-1.3 2,-0.3 9,-0.2 9,-0.2 -0.980 53.7 167.3-116.9 124.6 4.0 -31.1 60.2 7 10 A V E -A 14 0A 5 7,-1.9 7,-3.3 -2,-0.5 2,-0.5 -0.985 25.4-147.1-136.8 144.2 5.3 -29.2 57.3 8 11 A T E +A 13 0A 96 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.968 20.8 179.4-113.2 122.8 5.5 -25.5 56.5 9 12 A V E > -A 12 0A 9 3,-3.4 3,-1.9 -2,-0.5 174,-0.1 -0.688 48.8 -87.6-111.6 173.0 5.2 -24.5 52.9 10 13 A R T 3 S+ 0 0 179 1,-0.3 3,-0.1 -2,-0.2 173,-0.0 0.789 127.8 48.7 -49.4 -33.6 5.2 -21.0 51.4 11 14 A G T 3 S- 0 0 14 1,-0.3 42,-2.4 41,-0.1 2,-0.3 0.648 124.2 -83.2 -83.7 -15.5 1.5 -20.6 51.9 12 15 A G E < -A 9 0A 16 -3,-1.9 -3,-3.4 40,-0.2 2,-0.3 -0.977 65.5 -23.9 144.3-160.7 1.5 -21.8 55.5 13 16 A R E -Ab 8 56A 129 42,-0.9 44,-2.6 -2,-0.3 2,-0.3 -0.656 45.7-164.8-101.1 145.2 1.4 -24.8 57.7 14 17 A L E -Ab 7 57A 1 -7,-3.3 -7,-1.9 -2,-0.3 2,-0.5 -0.938 11.6-151.3-127.4 148.3 0.2 -28.4 56.9 15 18 A R E -Ab 6 58A 89 42,-2.5 44,-2.6 -2,-0.3 -9,-0.2 -0.973 22.5-174.4-118.4 120.0 -0.7 -31.5 58.9 16 19 A G - 0 0 5 -11,-3.0 2,-0.3 -2,-0.5 13,-0.2 -0.101 16.5-118.7 -96.0-162.5 -0.3 -34.8 57.2 17 20 A I E -C 28 0B 57 11,-2.5 11,-2.4 42,-0.3 2,-0.4 -0.986 16.6-120.3-144.5 145.3 -1.0 -38.4 58.0 18 21 A R E -C 27 0B 129 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.755 30.9-161.2 -88.5 132.5 1.0 -41.6 58.5 19 22 A L E -C 26 0B 23 7,-2.9 7,-1.9 -2,-0.4 2,-0.3 -0.915 9.7-131.5-116.7 145.9 0.0 -44.4 56.1 20 23 A K + 0 0 175 -2,-0.4 113,-0.1 5,-0.2 7,-0.0 -0.693 24.9 172.4 -92.7 145.3 0.8 -48.1 56.5 21 24 A T > - 0 0 18 -2,-0.3 3,-1.7 3,-0.2 431,-0.1 -0.939 48.5-104.1-137.2 163.8 2.2 -50.4 53.8 22 25 A P T 3 S+ 0 0 82 0, 0.0 430,-0.0 0, 0.0 -2,-0.0 0.637 123.5 46.6 -59.0 -15.2 3.4 -54.0 53.9 23 26 A G T 3 S- 0 0 46 1,-0.4 -3,-0.0 111,-0.0 111,-0.0 0.322 126.8 -74.5-109.4 5.8 7.0 -52.7 53.9 24 27 A G < - 0 0 24 -3,-1.7 -1,-0.4 2,-0.0 -3,-0.2 -0.636 66.3 -39.1 124.3 173.9 6.6 -50.0 56.5 25 28 A P - 0 0 60 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.167 41.9-166.4 -75.3 167.1 5.1 -46.5 57.0 26 29 A V E -CD 19 101B 0 -7,-1.9 -7,-2.9 75,-0.2 2,-0.4 -0.973 21.3-121.8-147.3 148.2 5.0 -43.6 54.6 27 30 A S E -CD 18 100B 0 73,-3.3 73,-3.0 -2,-0.3 2,-0.4 -0.847 30.0-169.9 -97.0 137.8 4.1 -39.9 55.2 28 31 A A E -CD 17 99B 0 -11,-2.4 -11,-2.5 -2,-0.4 2,-0.5 -0.989 18.1-170.6-132.4 134.9 1.2 -38.5 53.2 29 32 A F E - D 0 98B 0 69,-3.3 69,-3.0 -2,-0.4 2,-0.4 -0.957 22.6-178.2-122.8 107.5 0.0 -34.9 52.7 30 33 A L E +n 60 0C 10 29,-2.2 31,-0.7 -2,-0.5 67,-0.2 -0.894 54.6 19.2-117.1 136.2 -3.3 -35.0 50.9 31 34 A G E + 0 0 4 65,-0.5 -1,-0.2 -2,-0.4 66,-0.2 0.859 69.1 169.1 79.3 36.3 -5.5 -32.2 49.7 32 35 A I E - D 0 96B 0 64,-2.4 64,-2.4 -3,-0.3 2,-0.2 -0.741 34.8-126.3 -79.9 119.4 -2.9 -29.4 49.7 33 36 A P E + D 0 95B 7 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.478 35.3 168.8 -68.0 128.8 -4.4 -26.3 48.0 34 37 A F + 0 0 4 60,-1.7 16,-1.1 -2,-0.2 2,-0.3 0.486 63.9 30.5-115.6 -6.6 -2.2 -25.0 45.2 35 38 A A B S-O 49 0D 3 59,-1.0 -1,-0.2 14,-0.3 15,-0.1 -0.962 87.2 -94.9-142.4 159.7 -4.6 -22.5 43.5 36 39 A E - 0 0 23 12,-2.4 12,-0.4 -2,-0.3 14,-0.1 -0.531 63.8 -86.0 -64.5 140.5 -7.5 -20.3 44.4 37 40 A P - 0 0 33 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.345 37.2-136.6 -51.5 118.2 -10.8 -22.1 43.8 38 41 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.408 57.5 133.4 -79.9 65.8 -11.6 -21.5 40.1 39 42 A M > - 0 0 78 -2,-2.2 3,-3.0 4,-0.1 227,-0.0 -0.659 55.4 -6.9-114.9 168.3 -15.3 -20.8 40.8 40 43 A G G > S+ 0 0 39 1,-0.3 3,-1.4 -2,-0.2 0, 0.0 -0.293 139.0 9.5 53.8-116.9 -17.9 -18.2 39.8 41 44 A P G 3 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 225,-0.0 0.716 129.0 63.0 -63.4 -21.3 -16.1 -15.5 37.8 42 45 A R G X S+ 0 0 68 -3,-3.0 3,-1.7 -5,-0.2 -2,-0.2 0.518 71.7 118.1 -86.5 -6.0 -13.0 -17.8 37.7 43 46 A R T < S+ 0 0 8 -3,-1.4 -4,-0.1 1,-0.2 223,-0.1 -0.411 86.3 10.1 -60.8 135.6 -14.6 -20.6 35.7 44 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.4 1,-0.2 -1,-0.2 0.294 107.0 115.6 74.9 -7.4 -12.7 -21.1 32.4 45 48 A L S < S- 0 0 49 -3,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.561 77.8 -88.2 -92.9 156.6 -9.9 -18.7 33.5 46 49 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.243 57.1 -95.2 -52.9 148.3 -6.2 -19.5 34.2 47 50 A P - 0 0 23 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.400 33.6-141.8 -69.9 145.8 -5.5 -20.7 37.7 48 51 A E - 0 0 85 -12,-0.4 -12,-2.4 -3,-0.1 3,-0.1 -0.867 29.8 -98.0-103.9 143.3 -4.4 -18.1 40.3 49 52 A P B -O 35 0D 92 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.268 47.1 -98.4 -57.4 141.8 -1.8 -19.0 43.0 50 53 A K - 0 0 68 -16,-1.1 3,-0.1 -15,-0.1 -14,-0.0 -0.479 37.8-123.7 -65.0 125.6 -3.3 -20.0 46.4 51 54 A Q - 0 0 117 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.427 38.2 -91.0 -65.9 142.4 -3.2 -17.0 48.8 52 55 A P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.208 44.1-152.6 -53.9 144.3 -1.4 -17.7 52.1 53 56 A W - 0 0 46 -42,-2.4 2,-0.3 2,-0.1 -40,-0.2 -0.832 6.4-133.9-116.7 156.8 -3.5 -19.1 54.9 54 57 A S S S+ 0 0 120 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.697 70.8 27.6-102.2 165.3 -3.1 -18.8 58.7 55 58 A G S S- 0 0 36 -2,-0.3 -42,-0.9 1,-0.1 2,-0.6 -0.361 104.7 -50.2 79.9-165.8 -3.6 -21.8 61.0 56 59 A V E -b 13 0A 62 -44,-0.1 2,-0.3 -2,-0.1 -42,-0.2 -0.936 45.7-138.5-116.2 115.2 -2.9 -25.4 60.0 57 60 A V E -b 14 0A 33 -44,-2.6 -42,-2.5 -2,-0.6 2,-0.8 -0.551 23.2-126.2 -66.5 127.4 -4.4 -26.9 56.8 58 61 A D E +b 15 0A 77 -2,-0.3 3,-0.3 -44,-0.2 2,-0.2 -0.703 34.2 173.6 -75.6 107.6 -5.6 -30.4 57.5 59 62 A A + 0 0 0 -44,-2.6 -29,-2.2 -2,-0.8 -42,-0.3 -0.383 44.3 104.4-113.8 54.4 -3.9 -32.6 54.8 60 63 A T B S+n 30 0C 37 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.457 75.5 44.3-114.0 -6.6 -5.0 -36.0 56.0 61 64 A T S S- 0 0 73 -31,-0.7 -1,-0.1 -3,-0.3 2,-0.0 -0.971 87.9 -95.2-140.9 152.7 -7.6 -36.8 53.4 62 65 A F - 0 0 36 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.365 42.4-130.9 -63.7 147.3 -8.1 -36.5 49.6 63 66 A Q - 0 0 70 1,-0.2 63,-0.1 30,-0.1 30,-0.1 -0.343 40.0 -56.9 -93.3 178.5 -9.9 -33.4 48.4 64 67 A S - 0 0 11 28,-0.3 2,-0.4 1,-0.1 -1,-0.2 -0.016 52.3-112.1 -56.2 153.4 -12.9 -33.1 46.0 65 68 A V E -p 89 0E 0 23,-2.5 25,-2.6 -3,-0.1 3,-0.1 -0.732 36.6-104.3 -87.4 133.4 -12.9 -34.4 42.4 66 69 A a E -p 90 0E 1 -2,-0.4 25,-0.2 27,-0.2 57,-0.1 -0.369 54.0 -86.3 -54.0 132.8 -12.9 -31.8 39.6 67 70 A Y S S+ 0 0 56 23,-0.8 83,-0.4 55,-0.1 2,-0.3 -0.158 71.7 146.9 -48.5 125.7 -16.4 -31.7 38.1 68 71 A Q - 0 0 2 -3,-0.1 54,-0.1 81,-0.1 2,-0.1 -0.985 50.3 -78.6-159.7 162.3 -16.7 -34.4 35.4 69 72 A Y - 0 0 68 52,-0.7 2,-0.5 -2,-0.3 206,-0.0 -0.365 42.0-135.2 -64.1 145.1 -18.8 -36.9 33.6 70 73 A V - 0 0 58 14,-0.1 2,-0.5 52,-0.1 14,-0.1 -0.942 17.5-122.3-113.2 119.6 -19.4 -40.2 35.4 71 74 A D + 0 0 9 -2,-0.5 3,-0.2 9,-0.2 13,-0.1 -0.426 37.6 166.0 -64.9 112.0 -19.1 -43.4 33.4 72 75 A T + 0 0 91 -2,-0.5 -1,-0.1 1,-0.1 9,-0.0 -0.057 37.5 114.5-116.3 29.7 -22.4 -45.3 33.5 73 76 A L S S+ 0 0 63 1,-0.3 -1,-0.1 4,-0.1 -2,-0.0 0.914 94.0 15.9 -64.8 -43.0 -21.8 -47.8 30.7 74 77 A Y S > S- 0 0 35 -3,-0.2 3,-2.5 3,-0.1 -1,-0.3 -0.695 87.3-144.8-133.9 78.4 -21.8 -50.8 33.1 75 78 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.174 84.1 7.4 -52.2 127.0 -23.3 -49.8 36.5 76 79 A G T 3 S+ 0 0 68 1,-0.3 2,-0.4 2,-0.1 -4,-0.0 0.327 93.0 135.3 84.9 -6.5 -21.6 -51.6 39.3 77 80 A F X> - 0 0 27 -3,-2.5 4,-2.5 1,-0.1 3,-0.8 -0.622 52.4-144.6 -78.6 127.7 -18.9 -53.1 37.1 78 81 A E H 3> S+ 0 0 97 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.869 94.1 66.6 -56.6 -38.5 -15.4 -52.8 38.6 79 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.807 116.8 23.4 -59.8 -34.7 -13.8 -52.3 35.2 80 83 A T H X4 S+ 0 0 0 -3,-0.8 3,-1.3 -6,-0.3 4,-0.4 0.757 118.8 60.1 -96.5 -31.3 -15.5 -49.0 34.7 81 84 A E H >< S+ 0 0 77 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.794 89.4 69.9 -71.8 -30.1 -16.1 -48.0 38.3 82 85 A M T 3< S+ 0 0 34 -4,-2.2 47,-0.4 1,-0.3 -1,-0.3 0.615 102.9 47.6 -60.5 -12.3 -12.5 -48.0 39.3 83 86 A W T < S+ 0 0 37 -3,-1.3 -1,-0.3 -5,-0.2 40,-0.2 0.535 93.1 99.7-104.1 -13.8 -12.1 -44.9 37.1 84 87 A N S < S- 0 0 15 -3,-1.2 -14,-0.1 -4,-0.4 40,-0.1 -0.334 89.8 -77.7 -76.9 156.8 -15.1 -43.0 38.5 85 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.307 38.3-173.3 -53.8 126.5 -15.0 -40.2 41.1 86 89 A N + 0 0 54 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.075 70.0 48.6-109.8 19.2 -14.5 -41.6 44.6 87 90 A R S S- 0 0 99 40,-0.0 -24,-0.1 0, 0.0 -23,-0.1 -0.922 105.3 -71.3-141.5 169.8 -15.0 -38.2 46.3 88 91 A E - 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