==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-OCT-05 2C4H . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR J.P.COLLETIER,D.FOURNIER,H.M.GREENBLATT,J.L.SUSSMAN, . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 63.3 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 . 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 . 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 . 31 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 0 4 2 0 2 2 0 0 2 0 2 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 . 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 . 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 4 A S > 0 0 113 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.6 -11.1 88.2 34.4 2 5 A E T 3 + 0 0 59 1,-0.3 23,-0.1 3,-0.0 12,-0.1 0.733 360.0 53.0 -65.3 -22.2 -7.8 87.1 35.7 3 6 A L T 3 S+ 0 0 38 11,-0.1 11,-3.1 10,-0.1 2,-0.5 0.400 95.0 81.7 -94.1 0.7 -9.6 85.6 38.8 4 7 A L E < +A 13 0A 46 -3,-1.5 2,-0.4 9,-0.2 9,-0.2 -0.939 56.1 174.4-111.4 124.0 -12.0 83.6 36.7 5 8 A V E -A 12 0A 2 7,-2.6 7,-2.8 -2,-0.5 2,-0.7 -0.995 21.9-147.1-132.1 130.5 -10.8 80.2 35.4 6 9 A N E +A 11 0A 93 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.868 25.9 178.8 -99.6 117.8 -12.9 77.7 33.5 7 10 A T E > -A 10 0A 7 3,-2.5 3,-0.7 -2,-0.7 173,-0.1 -0.542 46.1 -98.2-109.0 177.2 -11.8 74.1 34.2 8 11 A K T 3 S+ 0 0 120 1,-0.2 3,-0.1 -2,-0.2 172,-0.0 0.723 126.3 49.4 -67.6 -21.3 -13.0 70.7 33.1 9 12 A S T 3 S- 0 0 15 1,-0.4 42,-2.5 41,-0.1 -1,-0.2 0.583 128.1 -81.5 -92.5 -12.7 -14.9 70.4 36.4 10 13 A G E < -A 7 0A 10 -3,-0.7 -3,-2.5 40,-0.2 -1,-0.4 -0.807 62.4 -40.6 138.0-178.9 -16.5 73.8 36.0 11 14 A K E -Ab 6 54A 101 42,-0.8 44,-2.7 40,-0.4 2,-0.3 -0.547 48.5-169.3 -83.6 144.6 -15.7 77.5 36.5 12 15 A V E -Ab 5 55A 0 -7,-2.8 -7,-2.6 42,-0.2 2,-0.5 -0.968 11.0-151.6-135.4 146.6 -13.9 78.8 39.5 13 16 A M E -Ab 4 56A 67 42,-2.6 44,-2.5 -2,-0.3 -9,-0.2 -0.961 16.9-171.5-123.0 114.8 -13.4 82.4 40.8 14 17 A G - 0 0 6 -11,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.012 17.8-115.5 -87.5-162.8 -10.3 83.2 42.9 15 18 A T E -C 26 0B 41 11,-2.8 11,-2.6 42,-0.3 2,-0.6 -0.961 19.9-113.6-137.6 153.1 -9.3 86.2 44.8 16 19 A R E -C 25 0B 113 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.772 36.9-171.4 -90.8 125.8 -6.5 88.7 44.5 17 20 A V E -C 24 0B 27 7,-2.5 7,-2.3 -2,-0.6 2,-0.2 -0.906 19.5-121.8-120.5 146.0 -4.1 88.6 47.4 18 21 A P E +C 23 0B 76 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.536 30.4 174.8 -82.9 149.0 -1.2 90.9 48.4 19 22 A V E > -C 22 0B 4 3,-2.3 3,-0.8 -2,-0.2 -2,-0.0 -0.860 62.3 -22.7-160.8 120.6 2.4 89.6 48.7 20 23 A L T 3 S- 0 0 44 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.912 127.2 -45.7 42.4 59.5 5.6 91.4 49.4 21 24 A S T 3 S+ 0 0 133 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.768 132.9 69.0 58.1 29.5 4.3 94.8 48.1 22 25 A S E < S-C 19 0B 39 -3,-0.8 -3,-2.3 2,-0.0 2,-0.3 -0.721 74.9-117.5-149.0-162.1 2.8 93.2 45.0 23 26 A H E +C 18 0B 77 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.992 20.1 178.0-151.0 158.3 -0.1 90.8 44.2 24 27 A I E -C 17 0B 1 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.3 -0.910 35.9 -94.4-148.6 171.9 -1.0 87.4 42.8 25 28 A S E -CD 16 98B 1 73,-2.7 73,-2.8 -2,-0.3 2,-0.4 -0.732 32.2-164.9 -96.7 145.3 -4.1 85.3 42.2 26 29 A A E -CD 15 97B 0 -11,-2.6 -11,-2.8 -2,-0.3 2,-0.6 -0.994 11.0-169.6-133.2 128.3 -5.3 82.7 44.7 27 30 A F E - D 0 96B 2 69,-3.1 69,-2.6 -2,-0.4 2,-0.4 -0.919 21.7-176.7-117.2 100.6 -7.9 80.0 44.1 28 31 A L E + 0 0 16 29,-2.4 31,-0.5 -2,-0.6 67,-0.2 -0.793 54.4 17.2-105.1 141.7 -8.7 78.5 47.5 29 32 A G E + 0 0 5 -2,-0.4 -1,-0.2 1,-0.2 66,-0.2 0.818 68.0 170.2 75.9 32.7 -11.0 75.6 48.3 30 33 A I E - D 0 94B 0 64,-2.5 64,-2.3 -3,-0.3 2,-0.3 -0.653 31.6-129.8 -78.0 124.4 -11.3 73.9 44.9 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.555 31.6 171.7 -76.4 135.3 -13.0 70.5 45.2 32 35 A F + 0 0 4 60,-1.5 16,-0.9 -2,-0.3 2,-0.3 0.433 65.5 29.5-120.3 -3.9 -11.3 67.6 43.5 33 36 A A B S-M 47 0C 3 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.968 88.5 -91.2-150.0 161.7 -13.4 64.7 44.9 34 37 A E - 0 0 41 12,-2.8 12,-0.4 -2,-0.3 14,-0.1 -0.483 63.5 -85.5 -71.4 146.2 -17.0 64.0 46.1 35 38 A P - 0 0 33 0, 0.0 2,-2.4 0, 0.0 55,-0.2 -0.363 37.6-136.7 -56.2 119.8 -17.3 64.6 49.9 36 39 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.333 59.2 129.7 -78.0 61.6 -16.2 61.3 51.5 37 40 A V > + 0 0 61 -2,-2.4 3,-1.7 4,-0.1 2,-0.2 -0.666 52.9 2.9-113.9 167.4 -19.1 61.3 54.0 38 41 A G G > S+ 0 0 48 1,-0.3 3,-1.6 -2,-0.2 0, 0.0 -0.407 135.6 0.5 64.1-127.5 -21.8 58.9 55.1 39 42 A N G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -2,-0.2 225,-0.0 0.477 128.8 68.9 -74.0 0.5 -21.4 55.5 53.4 40 43 A M G X + 0 0 28 -3,-1.7 3,-1.3 -5,-0.1 -1,-0.3 0.390 69.9 119.2 -99.4 6.4 -18.4 56.9 51.6 41 44 A R T < S+ 0 0 11 -3,-1.6 -4,-0.1 1,-0.2 3,-0.1 -0.542 84.8 10.2 -71.8 132.5 -16.4 57.0 54.8 42 45 A F T 3 S+ 0 0 2 108,-0.6 121,-0.5 1,-0.3 -1,-0.2 0.344 107.1 119.5 79.9 -3.6 -13.3 54.8 54.5 43 46 A R S < S- 0 0 82 -3,-1.3 -1,-0.3 118,-0.2 117,-0.1 -0.527 76.0 -89.1 -94.7 160.0 -13.9 54.3 50.8 44 47 A R - 0 0 72 115,-0.3 -1,-0.1 -2,-0.2 121,-0.1 -0.248 58.0 -97.7 -58.7 150.5 -11.7 55.3 47.8 45 48 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.364 29.6-141.7 -75.2 156.8 -12.5 58.8 46.7 46 49 A E - 0 0 110 -12,-0.4 -12,-2.8 -3,-0.1 3,-0.1 -0.916 29.5-102.0-113.8 141.8 -14.8 59.7 43.8 47 50 A P B -M 33 0C 81 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.315 46.0 -97.5 -62.1 145.9 -14.0 62.5 41.4 48 51 A K - 0 0 44 -16,-0.9 3,-0.1 -15,-0.1 -14,-0.1 -0.487 39.5-118.6 -66.6 122.4 -16.0 65.7 42.0 49 52 A K - 0 0 152 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.416 39.4-100.0 -65.1 131.3 -19.0 65.8 39.7 50 53 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.120 40.8-145.0 -50.3 150.2 -18.7 68.9 37.4 51 54 A W - 0 0 38 -42,-2.5 -40,-0.4 2,-0.1 2,-0.2 -0.906 5.6-133.9-124.5 150.9 -20.8 71.9 38.5 52 55 A S S S+ 0 0 119 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.630 74.1 29.1 -93.7 159.2 -22.6 74.6 36.6 53 56 A G S S- 0 0 51 -2,-0.2 -42,-0.8 2,-0.1 2,-0.5 -0.365 105.3 -47.9 87.0-170.7 -22.2 78.2 37.7 54 57 A V E -b 11 0A 81 -44,-0.1 2,-0.5 -2,-0.1 -42,-0.2 -0.903 45.7-138.6-109.9 125.2 -19.1 79.7 39.4 55 58 A W E -b 12 0A 66 -44,-2.7 -42,-2.6 -2,-0.5 2,-0.8 -0.690 22.6-127.5 -80.9 124.7 -17.4 78.0 42.3 56 59 A N E +b 13 0A 109 -2,-0.5 3,-0.2 -44,-0.2 -42,-0.1 -0.631 35.4 169.9 -74.9 110.7 -16.4 80.6 44.9 57 60 A A + 0 0 0 -44,-2.5 -29,-2.4 -2,-0.8 -42,-0.3 -0.307 41.4 109.3-117.1 47.6 -12.7 80.0 45.6 58 61 A S S S+ 0 0 42 -44,-0.2 2,-0.3 -31,-0.2 -1,-0.1 0.602 74.6 42.8 -97.2 -15.1 -12.0 83.1 47.6 59 62 A T S S- 0 0 84 -31,-0.5 -1,-0.1 -3,-0.2 -44,-0.0 -0.928 89.1 -88.4-135.2 159.9 -11.5 81.3 51.0 60 63 A Y - 0 0 38 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.229 42.4-125.0 -61.9 147.9 -9.8 78.3 52.6 61 64 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.224 37.8 -77.1 -84.2 178.4 -11.8 75.0 52.8 62 65 A N - 0 0 58 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.296 47.5-119.4 -69.6 163.5 -12.5 73.0 55.9 63 66 A N B -n 87 0D 4 23,-2.4 25,-2.5 22,-0.1 27,-0.1 -0.762 35.4 -95.8-102.5 152.5 -9.7 70.8 57.3 64 67 A a - 0 0 3 56,-0.3 25,-0.2 -2,-0.3 56,-0.1 -0.295 50.7 -87.2 -65.7 153.6 -10.1 67.1 57.5 65 68 A Q + 0 0 31 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.399 68.7 147.5 -62.2 135.2 -11.2 65.6 60.8 66 69 A Q - 0 0 2 -3,-0.1 53,-0.1 -2,-0.1 2,-0.1 -0.993 52.8 -76.9-165.1 165.0 -8.2 65.0 63.1 67 70 A Y - 0 0 88 51,-0.9 2,-0.5 -2,-0.3 206,-0.0 -0.412 47.0-140.6 -64.7 142.5 -6.7 64.8 66.5 68 71 A V - 0 0 50 14,-0.1 2,-0.6 -2,-0.1 11,-0.1 -0.952 11.3-125.4-115.0 126.2 -6.0 68.3 67.8 69 72 A D + 0 0 21 -2,-0.5 3,-0.1 9,-0.2 13,-0.1 -0.581 40.4 158.0 -73.8 114.2 -2.8 69.0 69.8 70 73 A E + 0 0 100 -2,-0.6 -1,-0.1 1,-0.1 9,-0.0 -0.010 35.6 114.4-123.4 27.3 -3.7 70.6 73.1 71 74 A Q S S+ 0 0 100 1,-0.3 -1,-0.1 4,-0.0 -2,-0.0 0.835 91.8 25.6 -70.0 -26.6 -0.6 69.7 75.0 72 75 A F S > S- 0 0 34 3,-0.1 3,-2.3 -3,-0.1 -1,-0.3 -0.661 88.5-150.2-135.4 77.0 0.3 73.4 75.3 73 76 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.183 80.9 6.1 -49.7 129.2 -2.9 75.5 75.0 74 77 A G T 3 S+ 0 0 62 1,-0.2 2,-0.5 2,-0.1 -4,-0.0 0.316 93.6 132.7 79.7 -9.0 -2.4 78.9 73.5 75 78 A F X> - 0 0 40 -3,-2.3 4,-2.5 1,-0.1 3,-0.7 -0.649 48.9-152.0 -79.7 125.1 1.3 78.1 72.7 76 79 A S H 3> S+ 0 0 68 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.807 88.7 69.2 -66.5 -32.6 2.1 79.1 69.1 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.859 116.8 23.3 -55.0 -35.8 4.8 76.6 68.6 78 81 A S H X4 S+ 0 0 0 -3,-0.7 3,-1.5 -6,-0.2 4,-0.5 0.806 119.1 56.8-100.3 -37.5 2.2 73.8 68.7 79 82 A E H >< S+ 0 0 69 -4,-2.5 3,-0.6 1,-0.3 -3,-0.2 0.714 90.7 73.8 -71.0 -17.2 -1.0 75.5 67.7 80 83 A M T 3< S+ 0 0 58 -4,-1.7 46,-0.3 1,-0.2 -1,-0.3 0.640 99.9 47.8 -68.2 -11.5 0.6 76.7 64.4 81 84 A W T < S+ 0 0 56 -3,-1.5 -1,-0.2 -5,-0.1 39,-0.2 0.592 95.0 94.2-101.8 -16.0 0.3 73.0 63.3 82 85 A N S < S- 0 0 18 -3,-0.6 -14,-0.1 -4,-0.5 2,-0.1 -0.261 94.9 -77.3 -73.6 162.2 -3.3 72.6 64.4 83 86 A P - 0 0 27 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.392 39.0-170.5 -60.2 132.1 -6.3 73.0 62.1 84 87 A N S S+ 0 0 70 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.286 70.6 53.7-106.0 8.2 -7.0 76.8 61.6 85 88 A R S S- 0 0 105 1,-0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.856 106.1 -73.5-132.3 166.2 -10.3 76.2 59.8 86 89 A E - 0 0 154 -2,-0.3 -23,-2.4 1,-0.1 2,-0.3 -0.325 51.7-121.2 -63.7 146.6 -13.4 74.2 60.9 87 90 A M B +n 63 0D 45 -25,-0.2 2,-0.3 -4,-0.1 -23,-0.2 -0.667 42.0 154.8 -90.7 144.9 -12.9 70.4 60.7 88 91 A S - 0 0 33 -25,-2.5 -23,-0.4 -2,-0.3 0, 0.0 -0.971 53.8-124.3-164.8 151.7 -15.2 68.3 58.5 89 92 A E S S+ 0 0 26 -2,-0.3 2,-1.7 -25,-0.2 3,-0.2 0.721 105.5 78.8 -71.9 -19.3 -15.1 65.0 56.7 90 93 A D + 0 0 45 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.684 63.1 118.7 -86.4 83.4 -16.0 67.2 53.7 91 94 A a + 0 0 1 -2,-1.7 2,-1.7 -30,-0.1 -27,-0.2 0.313 19.6 121.3-135.0 8.1 -12.4 68.3 53.3 92 95 A L + 0 0 1 -3,-0.2 -60,-1.5 -59,-0.1 -59,-0.9 -0.550 43.1 120.7 -83.7 85.2 -11.1 67.2 49.9 93 96 A Y E -D 31 0B 23 -2,-1.7 2,-0.3 -62,-0.2 51,-0.2 -0.874 45.2-146.6-136.1 165.6 -10.1 70.5 48.3 94 97 A L E -D 30 0B 0 -64,-2.3 -64,-2.5 -2,-0.3 2,-0.3 -0.934 8.5-141.0-134.6 157.7 -6.9 72.0 46.9 95 98 A N E - E 0 142B 0 47,-2.8 47,-2.2 -2,-0.3 2,-0.4 -0.916 11.9-162.0-121.1 148.5 -5.5 75.5 46.8 96 99 A I E -DE 27 141B 0 -69,-2.6 -69,-3.1 -2,-0.3 2,-0.6 -0.987 9.5-162.7-137.0 129.4 -3.7 77.3 44.0 97 100 A W E -DE 26 140B 4 43,-2.9 43,-2.0 -2,-0.4 -71,-0.2 -0.946 18.1-170.0-109.4 119.0 -1.5 80.4 44.0 98 101 A V E -D 25 0B 2 -73,-2.8 -73,-2.7 -2,-0.6 41,-0.1 -0.938 22.3-117.7-115.8 128.2 -1.0 81.8 40.5 99 102 A P - 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