==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAR-08 2VQ6 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR 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) . 20571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 63.9 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 . 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.4 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 1 3 2 0 1 3 0 1 1 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 2 1 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 0 137 0, 0.0 3,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.6 -12.3 89.9 36.8 2 5 A E T 3 + 0 0 58 1,-0.2 12,-0.1 3,-0.0 23,-0.0 0.797 360.0 59.3 -59.3 -25.5 -8.8 88.4 37.8 3 6 A L T 3 S+ 0 0 36 11,-0.1 11,-1.9 10,-0.1 2,-0.5 0.244 86.1 81.0 -95.7 5.6 -10.8 86.7 40.6 4 7 A L E < -A 13 0A 75 -3,-1.1 2,-0.4 9,-0.2 9,-0.2 -0.975 58.2-178.3-120.5 125.4 -13.3 84.7 38.6 5 8 A V E -A 12 0A 4 7,-2.6 7,-4.0 -2,-0.5 2,-0.5 -0.978 21.9-141.3-137.3 135.5 -12.2 81.4 37.2 6 9 A N E +A 11 0A 106 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.827 27.8 174.2 -94.5 124.5 -13.8 78.7 35.2 7 10 A T E > -A 10 0A 10 3,-1.7 3,-3.4 -2,-0.5 173,-0.1 -0.976 47.7-103.7-135.2 150.3 -12.9 75.2 36.0 8 11 A K T 3 S+ 0 0 121 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.699 123.1 46.2 -37.4 -28.1 -14.0 71.8 34.9 9 12 A S T 3 S- 0 0 17 1,-0.4 42,-2.1 41,-0.1 -1,-0.3 0.638 127.4 -67.1 -96.1 -10.8 -16.0 71.5 38.2 10 13 A G E < -A 7 0A 14 -3,-3.4 -3,-1.7 40,-0.2 2,-0.4 -0.880 64.1 -51.9 147.0 170.1 -17.6 74.9 38.1 11 14 A K E -Ab 6 54A 89 42,-0.8 44,-2.3 -2,-0.3 2,-0.5 -0.690 50.6-163.6 -81.2 134.0 -17.0 78.7 38.3 12 15 A V E -Ab 5 55A 0 -7,-4.0 -7,-2.6 -2,-0.4 2,-0.6 -0.969 7.8-158.4-124.3 129.5 -15.1 79.7 41.3 13 16 A M E -Ab 4 56A 72 42,-2.9 44,-2.5 -2,-0.5 -9,-0.2 -0.903 16.8-179.4-111.6 116.7 -14.7 83.2 42.7 14 17 A G - 0 0 7 -11,-1.9 2,-0.3 -2,-0.6 13,-0.2 0.326 18.5-115.9 -87.2-149.0 -11.9 84.0 44.9 15 18 A T E -C 26 0B 44 11,-2.2 11,-4.2 42,-0.3 2,-0.6 -0.980 18.9-114.2-157.1 160.4 -10.6 87.0 46.7 16 19 A R E -C 25 0B 120 -2,-0.3 9,-0.3 9,-0.3 -13,-0.0 -0.865 29.2-165.4-119.3 119.3 -7.8 89.3 46.7 17 20 A V E -C 24 0B 28 7,-1.6 7,-1.8 -2,-0.6 2,-0.3 -0.609 19.2-117.8-101.4 156.1 -5.3 89.4 49.6 18 21 A P E -C 23 0B 81 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.711 28.0-178.5 -89.8 149.2 -2.5 91.9 50.6 19 22 A V - 0 0 2 3,-1.1 3,-0.4 -2,-0.3 2,-0.1 -0.930 56.3 -50.0-148.4 121.2 1.1 90.8 50.8 20 23 A L S S- 0 0 68 -2,-0.3 111,-0.0 1,-0.2 430,-0.0 -0.376 121.4 -25.5 53.0-121.2 4.0 93.1 51.8 21 24 A S S S+ 0 0 108 -2,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.918 133.9 47.3 -84.0 -49.6 3.6 96.2 49.7 22 25 A S S S- 0 0 57 -3,-0.4 -3,-1.1 1,-0.1 2,-0.2 0.551 78.9-111.4 -63.7-148.9 1.6 94.6 46.7 23 26 A H E -C 18 0B 88 -5,-0.3 77,-0.4 77,-0.1 2,-0.3 -0.877 19.8-168.9-145.7 173.3 -1.5 92.2 46.4 24 27 A I E -C 17 0B 3 -7,-1.8 -7,-1.6 -2,-0.2 2,-0.5 -0.982 27.1-107.6-159.5 165.6 -2.4 88.7 45.2 25 28 A S E -CD 16 98B 2 73,-2.3 73,-2.2 -2,-0.3 2,-0.4 -0.889 29.9-164.3-107.5 139.7 -5.4 86.6 44.5 26 29 A A E -CD 15 97B 0 -11,-4.2 -11,-2.2 -2,-0.5 2,-0.6 -0.971 11.9-165.6-118.0 131.5 -6.5 83.8 46.9 27 30 A F E - D 0 96B 2 69,-2.5 69,-2.4 -2,-0.4 2,-0.6 -0.940 22.5-170.2-115.5 109.9 -8.9 80.9 46.2 28 31 A L E + 0 0 12 29,-2.2 31,-0.4 -2,-0.6 67,-0.2 -0.836 54.8 2.7-111.2 119.5 -9.8 79.5 49.6 29 32 A G E + 0 0 5 -2,-0.6 -1,-0.2 65,-0.4 66,-0.2 0.892 64.1 175.0 84.8 36.8 -11.7 76.4 50.2 30 33 A I E - D 0 94B 0 64,-2.2 64,-1.8 -3,-0.3 -1,-0.2 -0.625 30.6-130.9 -73.3 122.5 -12.3 74.8 46.8 31 34 A P E + D 0 93B 2 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.595 29.2 176.1 -76.8 145.3 -14.0 71.4 47.5 32 35 A F + 0 0 3 60,-1.3 16,-0.6 -2,-0.2 2,-0.3 0.262 62.0 32.6-130.1 14.4 -12.4 68.6 45.5 33 36 A A B S-M 47 0C 2 59,-0.5 15,-0.2 14,-0.3 -1,-0.2 -0.970 92.1 -87.4-158.8 158.7 -14.4 65.5 46.8 34 37 A E - 0 0 34 12,-2.6 12,-0.5 -2,-0.3 14,-0.1 -0.559 63.5 -93.0 -71.5 136.7 -17.8 64.7 48.0 35 38 A P - 0 0 34 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.378 32.1-135.5 -56.6 126.7 -17.8 65.4 51.8 36 39 A P + 0 0 6 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.273 62.4 124.0 -83.5 51.1 -17.0 62.1 53.5 37 40 A V > + 0 0 58 -2,-2.0 3,-2.1 4,-0.1 2,-0.2 -0.321 53.4 27.4 -95.8-175.7 -19.7 62.5 56.1 38 41 A G T 3 S- 0 0 50 1,-0.3 3,-0.2 2,-0.2 51,-0.0 -0.461 135.3 -25.9 71.4-124.1 -22.5 60.2 57.0 39 42 A N T 3 S+ 0 0 99 -2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 -0.195 115.6 91.6-127.6 38.4 -21.3 56.8 56.1 40 43 A M X + 0 0 49 -3,-2.1 3,-2.6 -5,-0.1 -1,-0.2 0.278 65.4 132.6 -78.6 -4.1 -18.9 57.7 53.6 41 44 A R T 3 S+ 0 0 9 1,-0.3 3,-0.1 -3,-0.2 -4,-0.1 -0.239 78.4 0.3 -49.3 129.6 -17.0 57.6 56.9 42 45 A F T 3 S+ 0 0 4 108,-0.6 121,-0.4 1,-0.2 -1,-0.3 0.411 107.6 122.8 73.9 -3.2 -13.8 55.6 56.4 43 46 A R S < S- 0 0 59 -3,-2.6 -1,-0.2 118,-0.2 117,-0.1 -0.350 75.8 -88.2 -88.8 165.7 -14.7 55.0 52.7 44 47 A R - 0 0 61 115,-0.3 -1,-0.1 1,-0.1 122,-0.1 -0.472 56.2 -99.7 -69.4 151.0 -12.5 56.0 49.8 45 48 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.314 30.8-143.4 -70.3 154.8 -13.2 59.5 48.6 46 49 A E - 0 0 82 -12,-0.5 -12,-2.6 1,-0.1 3,-0.1 -0.885 27.8 -96.0-114.0 156.5 -15.4 60.4 45.6 47 50 A P B -M 33 0C 80 0, 0.0 -14,-0.3 0, 0.0 -13,-0.3 -0.096 44.6 -97.4 -64.1 158.3 -14.9 63.3 43.2 48 51 A K - 0 0 44 -16,-0.6 -14,-0.2 -15,-0.2 -16,-0.0 -0.218 38.0-127.8 -66.2 172.9 -16.7 66.6 43.7 49 52 A K - 0 0 127 -16,-0.1 -16,-0.1 -3,-0.1 -40,-0.1 -1.000 38.4 -93.0-126.2 129.6 -19.8 66.7 41.5 50 53 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 0.043 43.4-142.8 -52.1 142.2 -19.8 69.8 39.4 51 54 A W - 0 0 36 -42,-2.1 2,-0.3 2,-0.1 -40,-0.2 -0.729 5.0-133.1 -95.2 159.7 -21.6 72.7 41.1 52 55 A S S S+ 0 0 123 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.748 71.2 21.1 -95.4 157.9 -23.8 75.3 39.4 53 56 A G S S- 0 0 44 -2,-0.3 -42,-0.8 1,-0.1 2,-0.6 -0.401 109.0 -42.7 80.3-167.5 -23.5 79.0 40.1 54 57 A V E -b 11 0A 73 -44,-0.1 2,-0.3 -42,-0.1 -42,-0.2 -0.901 50.8-138.4-115.1 111.3 -20.4 80.5 41.6 55 58 A W E -b 12 0A 75 -44,-2.3 -42,-2.9 -2,-0.6 2,-1.0 -0.550 24.1-119.7 -62.1 130.2 -18.6 78.8 44.4 56 59 A N E +b 13 0A 99 -2,-0.3 2,-0.7 -44,-0.2 3,-0.4 -0.576 33.1 176.4 -73.3 99.2 -17.4 81.2 47.1 57 60 A A + 0 0 0 -44,-2.5 -29,-2.2 -2,-1.0 -42,-0.3 -0.216 50.9 93.9 -98.6 50.0 -13.6 81.0 47.4 58 61 A S S S+ 0 0 45 -2,-0.7 2,-0.3 -31,-0.2 -1,-0.2 0.675 72.4 52.0-123.9 -19.5 -13.0 83.7 50.0 59 62 A T S S- 0 0 85 -3,-0.4 -1,-0.1 -31,-0.4 -44,-0.0 -0.935 87.6 -97.9-110.5 151.2 -12.9 82.2 53.5 60 63 A Y - 0 0 50 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.255 40.7-121.2 -57.5 142.2 -10.8 79.2 54.8 61 64 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 62,-0.1 -0.039 36.4 -77.9 -78.6-179.2 -12.5 75.9 54.9 62 65 A N - 0 0 52 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.413 41.2-118.4 -75.9 163.7 -13.0 73.7 57.9 63 66 A N B -n 87 0D 3 23,-2.0 25,-2.5 58,-0.1 58,-0.1 -0.718 33.6-104.6 -91.4 145.5 -10.3 71.6 59.5 64 67 A a - 0 0 7 -2,-0.3 25,-0.2 56,-0.3 56,-0.2 -0.425 49.2 -81.2 -65.2 151.6 -10.7 67.8 59.7 65 68 A Q + 0 0 24 23,-0.4 82,-0.3 -2,-0.1 2,-0.3 -0.226 69.7 155.0 -50.4 124.3 -11.6 66.1 63.0 66 69 A Q - 0 0 3 -3,-0.1 2,-0.1 80,-0.1 53,-0.1 -0.995 51.4 -86.4-152.7 155.3 -8.4 65.8 65.0 67 70 A Y - 0 0 86 51,-0.8 2,-0.4 -2,-0.3 81,-0.0 -0.461 45.6-143.5 -54.4 129.7 -6.9 65.4 68.4 68 71 A V - 0 0 54 -2,-0.1 2,-0.6 14,-0.1 14,-0.1 -0.886 14.3-123.8-109.9 139.3 -6.3 69.0 69.8 69 72 A D + 0 0 26 -2,-0.4 3,-0.1 1,-0.2 13,-0.1 -0.707 39.1 160.9 -97.1 115.5 -3.1 69.6 71.8 70 73 A E + 0 0 140 -2,-0.6 -1,-0.2 1,-0.1 9,-0.1 0.710 40.1 109.7-111.0 -16.7 -3.7 71.0 75.2 71 74 A Q S S+ 0 0 115 1,-0.2 -1,-0.1 7,-0.1 -2,-0.0 0.694 95.9 24.4 -15.9 -55.9 -0.5 70.1 77.0 72 75 A F S > S- 0 0 37 -3,-0.1 3,-1.2 3,-0.1 6,-0.2 -0.630 86.4-159.8-115.6 78.7 0.6 74.0 77.1 73 76 A P T 3 S+ 0 0 104 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.334 77.9 9.9 -66.4 140.1 -2.7 75.9 76.8 74 77 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 2,-0.1 -4,-0.0 -0.116 93.4 127.4 78.6 -31.9 -2.2 79.5 75.6 75 78 A F X> - 0 0 37 -3,-1.2 4,-2.3 -2,-0.2 3,-1.0 -0.380 51.0-154.0 -48.9 111.3 1.6 78.8 74.7 76 79 A S H 3> S+ 0 0 68 -2,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.830 87.6 70.7 -58.3 -28.1 1.9 79.9 71.1 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.810 115.2 25.2 -64.0 -29.3 4.8 77.4 70.6 78 81 A S H X4 S+ 0 0 1 -3,-1.0 3,-1.2 -6,-0.2 -1,-0.2 0.761 116.9 60.4-103.3 -31.0 2.4 74.7 70.7 79 82 A E H >< S+ 0 0 73 -4,-2.3 3,-2.3 1,-0.3 -2,-0.2 0.769 85.5 78.7 -69.3 -30.2 -0.9 76.4 69.7 80 83 A M T 3< S+ 0 0 51 -4,-2.4 46,-0.4 1,-0.3 -1,-0.3 0.650 96.6 47.4 -56.6 -13.6 0.6 77.3 66.3 81 84 A W T < S+ 0 0 60 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.533 90.2 104.5-103.2 -8.5 -0.2 73.7 65.3 82 85 A N S < S- 0 0 15 -3,-2.3 -14,-0.1 -4,-0.2 39,-0.0 -0.360 87.8 -86.7 -79.5 152.7 -3.7 73.4 66.5 83 86 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.273 43.2-174.1 -50.6 136.1 -6.8 73.5 64.3 84 87 A N + 0 0 68 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.078 63.8 54.4-121.7 16.2 -7.6 77.2 64.0 85 88 A R S S- 0 0 97 1,-0.0 -23,-0.1 39,-0.0 2,-0.0 -0.847 107.1 -69.3-132.4 178.3 -10.8 76.9 62.2 86 89 A E - 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