==== 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 29-JUL-04 1U65 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR M.HAREL,J.L.HYATT,B.BRUMSHTEIN,C.L.MORTON,R.W.WADKINS,I.SILM . 533 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 4.3 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 . 2 0.4 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 . 62 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 26.3 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 3 1 3 0 0 4 0 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 2 1 1 1 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 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 0 135 0, 0.0 3,-2.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.3 -35.4 70.3 52.6 2 5 A E T 3 + 0 0 57 1,-0.3 23,-0.0 3,-0.0 0, 0.0 0.668 360.0 65.3 -62.1 -14.1 -35.2 72.2 49.3 3 6 A L T 3 S+ 0 0 41 1,-0.1 11,-3.0 11,-0.1 2,-0.8 0.622 87.6 75.3 -82.5 -15.6 -33.6 74.9 51.5 4 7 A L E < +A 13 0A 78 -3,-2.4 2,-0.4 9,-0.2 9,-0.2 -0.863 66.5 175.1-102.1 105.5 -30.6 72.6 52.1 5 8 A V E -A 12 0A 4 7,-2.1 7,-2.8 -2,-0.8 2,-0.6 -0.910 21.9-147.9-115.1 139.2 -28.4 72.5 49.0 6 9 A N E -A 11 0A 106 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.914 21.5-178.8-107.4 119.6 -25.1 70.7 48.5 7 10 A T E > -A 10 0A 6 3,-2.7 3,-1.0 -2,-0.6 173,-0.1 -0.674 45.6 -97.8-112.8 169.4 -22.6 72.4 46.1 8 11 A K T 3 S+ 0 0 124 1,-0.2 3,-0.1 -2,-0.2 172,-0.0 0.354 125.1 45.7 -68.0 8.8 -19.1 71.4 44.9 9 12 A S T 3 S- 0 0 16 1,-0.6 42,-2.7 41,-0.1 2,-0.3 0.519 128.0 -63.0-123.2 -18.8 -17.8 73.9 47.6 10 13 A G E < -A 7 0A 10 -3,-1.0 -3,-2.7 40,-0.2 -1,-0.6 -0.903 64.1 -60.2 154.5-178.5 -19.9 72.9 50.6 11 14 A K E -Ab 6 54A 94 42,-1.0 44,-2.5 -2,-0.3 2,-0.4 -0.595 43.6-156.7 -91.9 157.1 -23.5 72.8 51.8 12 15 A V E -Ab 5 55A 0 -7,-2.8 -7,-2.1 42,-0.2 2,-0.6 -0.999 9.7-142.5-138.5 136.6 -25.6 76.0 52.0 13 16 A M E -Ab 4 56A 59 42,-4.0 44,-3.2 -2,-0.4 -9,-0.2 -0.868 24.2-168.0-100.0 119.1 -28.7 76.7 54.1 14 17 A G - 0 0 6 -11,-3.0 2,-0.3 -2,-0.6 13,-0.2 0.186 9.7-132.6 -84.5-154.1 -31.3 78.8 52.4 15 18 A T E -C 26 0B 35 11,-0.6 11,-0.7 42,-0.1 2,-0.2 -0.907 14.7-118.1-167.1 137.5 -34.4 80.6 53.6 16 19 A R E -C 25 0B 121 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.587 33.4-170.3 -80.8 140.7 -38.0 80.9 52.5 17 20 A V E -C 24 0B 32 7,-2.4 7,-1.6 -2,-0.2 2,-0.1 -0.997 21.8-115.5-137.8 140.5 -39.2 84.4 51.6 18 21 A P E +C 23 0B 81 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.413 31.6 175.9 -71.9 145.0 -42.6 85.9 50.8 19 22 A V - 0 0 2 3,-2.9 -2,-0.0 -2,-0.1 0, 0.0 -0.864 67.5 -25.0-154.8 113.3 -43.4 87.2 47.4 20 23 A L S S- 0 0 50 -2,-0.3 3,-0.1 1,-0.2 430,-0.0 0.942 129.6 -42.9 45.9 61.1 -46.7 88.5 46.2 21 24 A S S S+ 0 0 131 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.938 132.5 66.1 50.8 57.1 -48.6 86.5 48.8 22 25 A S S S- 0 0 40 2,-0.0 -3,-2.9 -5,-0.0 2,-0.3 -0.934 75.3-111.1-178.0-174.8 -46.6 83.3 48.3 23 26 A H E +C 18 0B 71 -5,-0.3 77,-0.4 -2,-0.3 2,-0.3 -0.916 21.1 177.2-139.1 165.7 -43.0 82.1 48.8 24 27 A I E -C 17 0B 1 -7,-1.6 -7,-2.4 -2,-0.3 2,-0.1 -0.931 37.6 -94.0-154.4 167.1 -39.8 81.0 47.0 25 28 A S E -C 16 0B 1 73,-2.6 73,-0.5 -2,-0.3 2,-0.3 -0.425 34.6-170.5 -85.6 164.7 -36.4 80.0 48.1 26 29 A A E -C 15 0B 1 -11,-0.7 2,-0.7 71,-0.2 -11,-0.6 -0.862 14.2-166.7-160.6 121.1 -33.4 82.4 48.5 27 30 A F E -D 96 0C 1 69,-1.7 69,-2.0 -2,-0.3 3,-0.4 -0.867 19.0-176.6-114.0 98.9 -29.8 81.7 49.1 28 31 A L E + 0 0 17 29,-2.1 31,-0.4 -2,-0.7 67,-0.2 -0.799 59.0 22.4 -99.0 132.4 -28.1 85.0 50.0 29 32 A G E + 0 0 7 65,-0.4 -1,-0.2 -2,-0.4 66,-0.2 0.634 65.0 167.9 95.6 14.8 -24.3 85.3 50.6 30 33 A I E -D 94 0C 0 64,-1.8 64,-2.3 -3,-0.4 2,-0.3 -0.470 30.7-137.5 -63.8 121.5 -22.9 82.3 48.7 31 34 A P E +D 93 0C 3 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.674 27.5 174.6 -84.3 135.2 -19.1 82.9 48.6 32 35 A F + 0 0 3 60,-1.4 16,-0.4 -2,-0.3 2,-0.3 0.179 62.2 30.4-124.1 15.9 -17.4 82.1 45.3 33 36 A A S S- 0 0 3 59,-0.5 15,-0.2 14,-0.3 -1,-0.1 -0.983 87.1 -89.3-166.0 158.6 -13.8 83.3 46.0 34 37 A E - 0 0 34 12,-3.1 12,-0.4 -2,-0.3 14,-0.1 -0.511 65.0 -86.0 -72.0 143.4 -11.2 83.7 48.7 35 38 A P - 0 0 29 0, 0.0 2,-3.2 0, 0.0 5,-0.2 -0.336 34.0-132.3 -54.7 117.6 -11.5 87.2 50.3 36 39 A P + 0 0 6 0, 0.0 6,-0.2 0, 0.0 7,-0.1 -0.043 64.1 133.9 -64.7 42.0 -9.5 89.7 48.2 37 40 A V > - 0 0 62 -2,-3.2 3,-3.5 3,-0.2 4,-0.2 -0.327 54.2 -5.1 -94.4 172.8 -7.9 90.9 51.4 38 41 A G G > S- 0 0 47 1,-0.3 3,-0.9 2,-0.2 0, 0.0 -0.245 140.0 -0.1 50.6-117.8 -4.4 91.8 52.6 39 42 A N G 3 S+ 0 0 110 1,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.559 127.8 70.7 -77.4 -8.1 -2.0 90.8 49.9 40 43 A M G X + 0 0 51 -3,-3.5 3,-2.0 -5,-0.2 -1,-0.2 0.686 68.6 115.4 -79.8 -19.8 -5.0 89.6 47.8 41 44 A R T < S+ 0 0 13 -3,-0.9 -4,-0.1 1,-0.3 3,-0.1 -0.325 90.5 5.8 -54.4 122.5 -6.1 93.2 47.3 42 45 A F T 3 S+ 0 0 3 108,-0.5 121,-0.5 1,-0.3 -1,-0.3 0.077 105.9 116.3 89.3 -22.2 -5.7 93.9 43.5 43 46 A R S < S- 0 0 64 -3,-2.0 -1,-0.3 1,-0.1 117,-0.1 -0.311 79.0 -86.0 -75.9 162.9 -4.8 90.3 42.6 44 47 A R - 0 0 65 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.308 58.1 -94.6 -63.1 149.5 -6.9 88.0 40.5 45 48 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.372 34.0-145.2 -69.0 149.0 -9.6 86.3 42.4 46 49 A E - 0 0 103 -12,-0.4 -12,-3.1 -3,-0.1 3,-0.1 -0.933 29.6 -99.3-113.1 137.4 -8.9 82.8 43.8 47 50 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 -14,-0.3 -0.132 47.4 -91.5 -54.5 150.3 -11.8 80.2 43.9 48 51 A K - 0 0 48 -16,-0.4 3,-0.1 -15,-0.2 -14,-0.1 -0.508 39.7-120.2 -70.4 123.0 -13.4 79.7 47.3 49 52 A K - 0 0 139 -2,-0.4 -1,-0.1 1,-0.1 -16,-0.1 -0.429 40.6 -98.5 -62.2 127.7 -11.8 76.9 49.3 50 53 A P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.171 45.8-146.6 -48.9 138.7 -14.4 74.2 50.0 51 54 A W - 0 0 39 -42,-2.7 2,-0.3 2,-0.1 -40,-0.2 -0.670 4.1-121.7-110.3 167.2 -15.9 74.6 53.5 52 55 A S S S+ 0 0 117 -2,-0.2 2,-0.2 -42,-0.1 -42,-0.0 -0.787 70.2 9.6-107.6 149.9 -17.2 72.2 56.1 53 56 A G S S- 0 0 39 -2,-0.3 -42,-1.0 2,-0.1 2,-0.6 -0.477 106.2 -35.6 85.7-157.7 -20.6 72.2 57.6 54 57 A V E -b 11 0A 73 -2,-0.2 2,-0.5 -44,-0.1 -42,-0.2 -0.923 50.9-142.4-111.6 119.0 -23.6 74.2 56.5 55 58 A W E -b 12 0A 73 -44,-2.5 -42,-4.0 -2,-0.6 2,-0.7 -0.657 20.5-132.1 -78.6 122.1 -23.1 77.7 55.1 56 59 A N E +b 13 0A 96 -2,-0.5 3,-0.2 -44,-0.2 -42,-0.1 -0.658 30.4 173.5 -79.2 115.4 -25.9 79.9 56.2 57 60 A A + 0 0 0 -44,-3.2 -29,-2.1 -2,-0.7 -28,-0.1 -0.471 42.6 109.2-119.1 58.7 -27.2 81.9 53.2 58 61 A S S S+ 0 0 35 -31,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.697 71.1 49.3-104.2 -27.3 -30.2 83.5 54.8 59 62 A T S S- 0 0 94 -31,-0.4 -44,-0.0 -3,-0.2 0, 0.0 -0.671 92.0 -92.8-110.5 167.2 -29.1 87.2 54.9 60 63 A Y - 0 0 33 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.482 42.5-119.9 -77.5 149.3 -27.5 89.5 52.3 61 64 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 -0.077 36.7 -77.3 -78.6-177.6 -23.7 89.7 52.1 62 65 A N - 0 0 53 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.281 44.0-118.3 -75.3 165.5 -21.4 92.7 52.6 63 66 A N B -m 87 0D 3 23,-1.2 25,-2.9 58,-0.1 58,-0.1 -0.761 32.1-102.1-104.9 153.2 -21.0 95.4 49.9 64 67 A a - 0 0 5 56,-0.4 25,-0.2 -2,-0.3 2,-0.2 -0.388 48.1 -85.0 -74.8 154.1 -17.6 96.1 48.3 65 68 A Q + 0 0 29 22,-0.1 82,-0.3 23,-0.1 2,-0.3 -0.389 69.5 152.9 -58.3 124.6 -15.6 99.1 49.3 66 69 A Q - 0 0 4 -2,-0.2 2,-0.3 -3,-0.1 53,-0.2 -0.958 51.7 -87.7-152.3 168.4 -16.9 102.1 47.3 67 70 A Y - 0 0 67 51,-0.9 2,-0.5 -2,-0.3 51,-0.0 -0.634 46.3-141.1 -75.2 133.0 -17.4 105.8 47.0 68 71 A V - 0 0 33 -2,-0.3 2,-0.6 14,-0.1 14,-0.1 -0.867 8.5-128.5-104.4 128.6 -20.8 106.6 48.6 69 72 A D + 0 0 23 -2,-0.5 13,-0.1 9,-0.2 12,-0.1 -0.625 39.6 157.5 -76.5 119.2 -23.0 109.2 47.0 70 73 A E + 0 0 143 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.0 -0.190 35.5 112.1-134.3 40.6 -24.1 111.8 49.5 71 74 A Q S S+ 0 0 113 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.713 91.6 29.1 -82.9 -26.2 -24.9 114.8 47.3 72 75 A F S > S- 0 0 39 3,-0.1 3,-0.6 -3,-0.1 6,-0.3 -0.499 87.1-165.1-134.1 63.2 -28.6 114.5 48.2 73 76 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.176 72.7 17.7 -52.5 138.3 -28.7 113.0 51.7 74 77 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 2,-0.1 3,-0.1 0.875 95.0 120.0 66.8 38.5 -32.0 111.6 52.9 75 78 A F X> - 0 0 39 -3,-0.6 4,-2.5 1,-0.1 3,-1.3 -0.938 55.9-151.5-136.9 110.8 -33.4 111.4 49.4 76 79 A S H 3> S+ 0 0 68 -2,-0.4 4,-2.1 1,-0.3 -1,-0.1 0.830 89.5 74.1 -50.0 -37.4 -34.5 108.0 48.0 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.857 116.0 15.6 -45.5 -47.3 -33.8 109.1 44.5 78 81 A S H X4 S+ 0 0 0 -3,-1.3 3,-1.3 -6,-0.3 4,-0.4 0.735 120.6 63.8-100.9 -28.7 -30.0 108.9 45.0 79 82 A E H >< S+ 0 0 85 -4,-2.5 3,-1.0 1,-0.3 -3,-0.2 0.746 84.8 76.6 -68.6 -20.6 -29.8 106.8 48.2 80 83 A M T 3< S+ 0 0 56 -4,-2.1 46,-0.3 -5,-0.3 -1,-0.3 0.491 97.5 48.0 -69.3 0.0 -31.4 103.8 46.5 81 84 A W T < S+ 0 0 52 -3,-1.3 -1,-0.3 -5,-0.1 39,-0.2 0.563 90.1 101.0-114.2 -14.2 -28.1 103.2 44.8 82 85 A N S < S- 0 0 22 -3,-1.0 2,-0.2 -4,-0.4 -14,-0.1 -0.212 91.9 -79.5 -70.3 160.2 -25.8 103.5 47.9 83 86 A P - 0 0 25 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.430 40.9-169.3 -59.7 125.5 -24.4 100.4 49.7 84 87 A N + 0 0 56 -2,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.238 68.2 49.8-101.7 12.6 -27.3 99.2 51.9 85 88 A R S S- 0 0 108 0, 0.0 2,-0.6 0, 0.0 -23,-0.1 -0.716 107.3 -64.5-133.5-175.7 -25.1 96.8 53.8 86 89 A E - 0 0 151 -2,-0.2 -23,-1.2 -25,-0.1 -2,-0.1 -0.660 53.9-128.1 -81.3 117.1 -21.7 97.0 55.6 87 90 A M B +m 63 0D 52 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.344 42.7 150.2 -64.3 142.6 -18.9 97.8 53.1 88 91 A S - 0 0 33 -25,-2.9 -23,-0.1 1,-0.1 -26,-0.0 -0.898 55.7-122.2-172.6 141.9 -15.9 95.5 53.2 89 92 A E S S+ 0 0 34 -2,-0.3 2,-2.2 -25,-0.2 3,-0.2 0.901 104.6 77.6 -54.9 -42.5 -13.2 94.1 50.9 90 93 A D + 0 0 47 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.522 63.9 119.3 -66.4 86.8 -14.5 90.7 51.8 91 94 A a + 0 0 2 -2,-2.2 2,-1.7 -30,-0.1 -1,-0.2 0.237 19.7 121.9-140.3 12.1 -17.4 91.1 49.4 92 95 A L + 0 0 3 -3,-0.2 -60,-1.4 -59,-0.1 -59,-0.5 -0.558 43.3 118.6 -86.1 80.5 -17.2 88.4 46.8 93 96 A Y E -D 31 0C 30 -2,-1.7 2,-0.3 -62,-0.2 51,-0.1 -0.860 45.6-147.0-133.8 169.1 -20.5 86.6 47.3 94 97 A L E -D 30 0C 0 -64,-2.3 -64,-1.8 -2,-0.3 -65,-0.4 -0.965 6.9-139.0-140.1 154.3 -23.6 85.9 45.1 95 98 A N E - E 0 142C 0 47,-2.7 47,-2.9 -2,-0.3 2,-0.3 -0.917 13.5-164.5-118.1 143.3 -27.3 85.6 45.7 96 99 A I E -DE 27 141C 0 -69,-2.0 -69,-1.7 -2,-0.4 2,-0.4 -0.902 9.9-159.2-124.3 151.3 -29.8 83.1 44.2 97 100 A W E - 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