==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-SEP-11 4A23 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR L.BERG,C.D.ANDERSSON,E.ARTRURSSON,A.HORNBERG,A.K.TUNEMALM,A. . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 9.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 60 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 8 2 1 5 4 1 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 . 5 3 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 . 5 0 0 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 1 A E 0 0 167 0, 0.0 4,-0.0 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0-164.7 30.4 14.5 55.2 2 2 A G + 0 0 69 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.381 360.0 33.6 137.2 -57.3 28.0 15.2 58.0 3 3 A R S S+ 0 0 251 2,-0.1 2,-0.2 3,-0.0 0, 0.0 0.122 94.4 104.3-119.7 19.2 25.8 18.0 56.9 4 4 A E S S- 0 0 64 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.504 88.6 -79.7 -93.9 168.2 25.6 17.3 53.2 5 5 A D > - 0 0 49 1,-0.2 3,-2.3 -2,-0.2 4,-0.1 -0.574 39.1-151.3 -69.2 109.2 22.7 15.9 51.2 6 6 A P G > S+ 0 0 107 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.642 90.7 64.9 -62.0 -14.8 23.1 12.1 51.9 7 7 A Q G 3 S+ 0 0 56 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.557 96.2 57.4 -83.5 -6.5 21.5 11.3 48.5 8 8 A L G < S+ 0 0 15 -3,-2.3 11,-2.7 11,-0.1 2,-0.6 0.227 81.8 95.8-110.5 11.6 24.4 12.9 46.6 9 9 A L E < +A 18 0A 33 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.925 47.6 161.9-110.2 124.3 27.3 10.9 48.0 10 10 A V E -A 17 0A 10 7,-2.2 7,-3.8 -2,-0.6 2,-0.5 -0.977 28.1-142.0-141.0 147.4 28.3 7.9 45.9 11 11 A R E +A 16 0A 157 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.952 19.3 178.7-112.4 134.4 31.4 5.7 45.7 12 12 A V E > -A 15 0A 6 3,-3.0 3,-2.7 -2,-0.5 174,-0.1 -0.765 51.4 -81.1-120.6 174.9 32.8 4.3 42.4 13 13 A R T 3 S+ 0 0 161 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.773 129.4 46.3 -47.6 -34.2 35.9 2.1 41.7 14 14 A G T 3 S- 0 0 11 1,-0.2 42,-2.9 41,-0.1 2,-0.3 0.520 123.0 -81.2 -89.4 -5.2 38.2 5.1 41.9 15 15 A G E < -A 12 0A 4 -3,-2.7 -3,-3.0 40,-0.2 2,-0.3 -0.935 65.9 -22.3 140.5-164.5 36.8 6.7 45.0 16 16 A Q E -Ab 11 59A 58 42,-0.9 44,-3.2 -2,-0.3 2,-0.4 -0.652 48.0-164.0 -94.0 141.3 34.1 8.9 46.5 17 17 A L E -Ab 10 60A 1 -7,-3.8 -7,-2.2 -2,-0.3 2,-0.5 -0.925 12.6-156.2-123.3 145.0 32.0 11.4 44.6 18 18 A R E -Ab 9 61A 65 42,-2.3 44,-3.0 -2,-0.4 -9,-0.2 -0.981 22.2-173.5-116.7 118.4 29.7 14.3 45.6 19 19 A G - 0 0 4 -11,-2.7 2,-0.4 -2,-0.5 13,-0.2 -0.190 18.7-111.3 -94.2-168.7 27.1 15.2 43.0 20 20 A I E -C 31 0B 57 11,-2.9 11,-2.8 42,-0.4 2,-0.7 -0.962 14.3-125.5-131.9 144.7 24.6 18.0 42.8 21 21 A R E -C 30 0B 119 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.813 35.0-166.5 -87.4 114.6 20.8 18.2 43.0 22 22 A L E -C 29 0B 27 7,-2.8 7,-2.3 -2,-0.7 2,-0.5 -0.787 18.3-120.5-104.8 149.6 19.5 19.9 39.8 23 23 A K E -C 28 0B 88 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.755 27.6-178.4 -86.5 125.2 16.1 21.3 39.1 24 24 A A E > -C 27 0B 8 3,-2.2 3,-2.5 -2,-0.5 430,-0.0 -0.866 45.9 -98.7-111.3 157.8 14.1 19.9 36.2 25 25 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.0 0, 0.0 429,-0.0 0.828 123.4 35.5 -42.4 -44.8 10.7 21.3 35.2 26 26 A G T 3 S- 0 0 56 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.290 130.6 -50.7 -98.7 10.1 8.9 18.5 37.0 27 27 A G E < S-C 24 0B 22 -3,-2.5 -3,-2.2 2,-0.0 -1,-0.2 -0.843 74.6 -42.9 145.0 178.8 11.2 17.9 40.0 28 28 A P E -C 23 0B 38 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.342 42.0-167.5 -78.1 156.2 14.8 17.4 41.1 29 29 A V E -CD 22 104B 0 -7,-2.3 -7,-2.8 75,-0.2 2,-0.5 -0.943 23.4-116.9-132.7 159.3 17.4 15.1 39.5 30 30 A S E -CD 21 103B 0 73,-2.8 73,-2.1 -2,-0.3 2,-0.4 -0.829 31.1-170.5 -92.5 131.9 20.8 13.9 40.6 31 31 A A E -CD 20 102B 0 -11,-2.8 -11,-2.9 -2,-0.5 2,-0.5 -0.983 15.6-173.7-125.4 136.5 23.8 14.9 38.6 32 32 A F E - D 0 101B 0 69,-3.2 69,-2.3 -2,-0.4 3,-0.3 -0.916 22.9-177.3-124.5 100.9 27.4 13.7 38.8 33 33 A L E +n 63 0C 9 29,-2.6 31,-0.5 -2,-0.5 67,-0.2 -0.751 52.1 18.1-110.1 147.3 29.5 15.8 36.5 34 34 A G E + 0 0 4 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.876 68.7 170.4 65.2 41.6 33.2 15.7 35.5 35 35 A I E - D 0 99B 0 64,-2.9 64,-2.7 -3,-0.3 2,-0.2 -0.755 32.2-129.5 -81.3 121.6 33.9 12.2 36.7 36 36 A P E + D 0 98B 6 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.526 33.0 170.1 -72.3 131.8 37.5 11.2 35.5 37 37 A F + 0 0 4 60,-1.5 16,-1.1 -2,-0.2 2,-0.3 0.410 63.8 35.0-119.3 -2.8 37.6 7.8 33.8 38 38 A A B S-O 52 0D 3 59,-0.9 -1,-0.1 14,-0.3 15,-0.1 -0.956 88.3 -96.0-141.6 159.0 41.1 8.0 32.4 39 39 A E - 0 0 18 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.612 65.6 -86.3 -66.9 139.7 44.5 9.3 33.3 40 40 A P - 0 0 32 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.299 36.6-135.4 -49.9 122.4 44.9 12.7 31.6 41 41 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.292 59.8 133.1 -81.6 56.6 46.2 11.9 28.1 42 42 A V > - 0 0 61 -2,-2.2 3,-2.3 3,-0.1 2,-0.1 -0.591 55.4 -7.5-106.0 164.0 48.8 14.7 28.3 43 43 A G G > S+ 0 0 45 1,-0.3 3,-1.6 2,-0.2 0, 0.0 -0.304 136.5 9.4 60.9-121.1 52.5 15.0 27.6 44 44 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 -2,-0.1 224,-0.1 0.605 128.5 63.7 -67.6 -9.9 54.1 11.7 26.7 45 45 A R G X S+ 0 0 70 -3,-2.3 3,-1.9 -5,-0.1 -1,-0.3 0.509 71.4 120.4 -94.4 -5.3 50.5 10.3 26.6 46 46 A R T < S+ 0 0 12 -3,-1.6 -4,-0.1 1,-0.3 222,-0.1 -0.375 84.4 12.5 -57.4 135.9 49.3 12.4 23.7 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.3 -1,-0.3 0.310 107.3 119.9 75.9 -5.5 48.2 10.2 20.8 48 48 A M S < S- 0 0 26 -3,-1.9 -1,-0.3 119,-0.1 3,-0.1 -0.573 75.1 -94.4 -90.4 150.9 48.3 7.2 23.1 49 49 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.256 55.2 -97.1 -52.2 146.9 45.4 4.8 24.1 50 50 A P - 0 0 22 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.414 31.0-144.2 -71.9 148.9 43.8 6.0 27.4 51 51 A E - 0 0 87 -12,-0.4 -12,-2.9 -2,-0.1 3,-0.1 -0.908 33.2 -96.4-106.8 139.9 44.9 4.4 30.7 52 52 A P B -O 38 0D 88 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.248 48.2 -97.2 -54.9 139.9 42.2 3.9 33.3 53 53 A K - 0 0 65 -16,-1.1 -14,-0.1 -15,-0.1 3,-0.1 -0.336 38.0-124.6 -59.0 135.6 42.0 6.7 35.9 54 54 A R - 0 0 149 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.654 38.1 -88.4 -86.9 141.7 43.9 5.8 39.1 55 55 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.012 42.6-148.8 -50.5 149.3 42.0 6.0 42.4 56 56 A W - 0 0 48 -42,-2.9 2,-0.3 2,-0.1 -40,-0.2 -0.751 11.1-119.2-114.5 166.2 41.8 9.3 44.2 57 57 A S S S+ 0 0 115 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.809 70.8 8.6-107.6 150.9 41.6 10.1 47.9 58 58 A G S S- 0 0 50 -2,-0.3 -42,-0.9 2,-0.1 2,-0.7 -0.329 108.0 -36.8 81.6-166.7 38.9 12.0 49.6 59 59 A V E -b 16 0A 52 -44,-0.1 2,-0.4 -2,-0.1 -42,-0.2 -0.855 54.9-142.8-101.2 113.9 35.6 13.1 48.0 60 60 A L E -b 17 0A 37 -44,-3.2 -42,-2.3 -2,-0.7 2,-0.5 -0.611 20.1-126.8 -71.5 124.1 35.9 14.2 44.4 61 61 A D E +b 18 0A 75 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.659 30.2 178.2 -74.9 123.0 33.5 17.1 43.8 62 62 A A + 0 0 0 -44,-3.0 -29,-2.6 -2,-0.5 -42,-0.4 -0.384 43.8 108.8-122.7 51.7 31.4 16.2 40.8 63 63 A T B S+n 33 0C 34 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.408 70.9 47.8-111.8 -0.8 29.1 19.3 40.6 64 64 A T S S- 0 0 86 -31,-0.5 -1,-0.1 -3,-0.2 0, 0.0 -0.995 86.9 -97.0-142.6 146.0 30.4 20.9 37.4 65 65 A F - 0 0 38 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.276 42.7-131.3 -55.1 142.3 31.3 20.0 33.9 66 66 A Q - 0 0 65 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.305 42.2 -51.9 -89.4-180.0 35.0 19.3 33.3 67 67 A N - 0 0 29 28,-0.3 2,-0.3 1,-0.1 -1,-0.2 -0.047 52.2-120.5 -49.9 148.0 37.3 20.6 30.5 68 68 A V E -p 92 0E 0 23,-2.2 25,-2.1 -3,-0.1 3,-0.1 -0.727 38.1 -98.6 -85.4 142.2 36.4 20.3 26.9 69 69 A a E -p 93 0E 1 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.354 52.3 -86.9 -64.0 137.3 38.8 18.3 24.7 70 70 A Y S S+ 0 0 48 23,-1.1 83,-0.4 -2,-0.1 2,-0.3 -0.159 71.2 149.5 -51.4 129.1 41.2 20.5 22.8 71 71 A Q - 0 0 3 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.992 51.3 -80.6-159.1 162.3 39.5 21.5 19.5 72 72 A Y - 0 0 74 52,-0.8 2,-0.5 -2,-0.3 205,-0.0 -0.470 43.8-139.9 -62.8 133.0 39.0 23.8 16.7 73 73 A V - 0 0 61 -2,-0.2 2,-0.3 14,-0.1 14,-0.1 -0.901 17.7-120.5-102.4 127.9 36.5 26.6 17.6 74 74 A D + 0 0 18 -2,-0.5 13,-0.1 9,-0.2 12,-0.0 -0.465 38.0 164.5 -70.9 127.7 34.0 27.6 14.9 75 75 A T + 0 0 89 -2,-0.3 -1,-0.1 3,-0.1 9,-0.0 0.180 38.1 113.6-129.6 16.2 34.2 31.3 13.9 76 76 A L S S+ 0 0 66 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.914 98.2 14.0 -55.1 -49.1 32.2 31.4 10.6 77 77 A Y S > S- 0 0 33 3,-0.1 3,-2.2 -3,-0.0 6,-0.3 -0.655 89.5-150.1-129.3 78.4 29.5 33.5 12.2 78 78 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.184 79.2 10.3 -53.2 126.8 30.9 34.9 15.5 79 79 A G T 3 S+ 0 0 67 1,-0.3 2,-0.4 2,-0.1 -4,-0.0 0.280 91.6 133.1 89.3 -10.8 28.2 35.5 18.2 80 80 A F X> - 0 0 30 -3,-2.2 4,-3.0 1,-0.1 3,-1.1 -0.620 54.7-143.7 -77.8 125.6 25.5 33.7 16.2 81 81 A E H 3> S+ 0 0 123 -2,-0.4 4,-2.2 1,-0.3 5,-0.2 0.836 96.5 66.1 -59.4 -34.1 23.6 31.3 18.4 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.816 116.2 26.5 -61.1 -33.1 23.3 28.8 15.5 83 83 A T H X4 S+ 0 0 1 -3,-1.1 3,-1.4 -6,-0.3 4,-0.5 0.800 117.3 59.5 -92.5 -36.2 27.0 28.3 15.6 84 84 A E H >< S+ 0 0 75 -4,-3.0 3,-1.3 1,-0.3 -3,-0.2 0.820 90.6 69.3 -69.0 -29.6 27.8 29.1 19.2 85 85 A M T 3< S+ 0 0 38 -4,-2.2 47,-0.3 1,-0.3 -1,-0.3 0.758 103.4 46.0 -57.4 -25.2 25.5 26.4 20.6 86 86 A W T < S+ 0 0 46 -3,-1.4 -1,-0.3 -5,-0.2 40,-0.2 0.561 94.4 98.6 -95.0 -9.5 28.0 23.8 19.3 87 87 A N S < S- 0 0 15 -3,-1.3 -14,-0.1 -4,-0.5 40,-0.1 -0.351 89.7 -76.5 -78.2 157.9 31.2 25.5 20.5 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.210 37.1-170.1 -52.3 138.0 33.1 24.6 23.7 89 89 A N + 0 0 46 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.150 69.7 44.8-120.4 12.5 31.4 25.9 26.9 90 90 A R S S- 0 0 114 0, 0.0 -24,-0.1 0, 0.0 -23,-0.1 -0.930 106.3 -62.7-142.6 168.7 34.2 25.1 29.3 91 91 A E - 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0 0 15 -3,-2.1 -3,-0.1 -6,-0.2 2,-0.0 -0.452 60.3-136.3 -74.5 137.4 34.3 12.1 -7.7 365 371 A S > - 0 0 62 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.233 38.6 -95.1 -70.1 176.0 36.0 11.8 -11.1 366 372 A D H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.919 126.9 48.6 -64.2 -44.0 34.6 14.0 -13.8 367 373 A L H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 112.3 48.9 -62.4 -43.5 32.3 11.3 -15.2 368 374 A A H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 111.0 49.4 -63.8 -39.4 31.0 10.6 -11.7 369 375 A A H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.894 109.4 53.7 -66.7 -40.0 30.4 14.3 -11.0 370 376 A E H X S+ 0 0 60 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.912 106.3 51.2 -56.5 -47.9 28.6 14.4 -14.3 371 377 A A H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.928 110.5 50.3 -57.6 -42.6 26.4 11.5 -13.2 372 378 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.929 111.7 46.1 -61.6 -48.0 25.6 13.4 -10.0 373 379 A V H X S+ 0 0 5 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.892 113.3 50.5 -63.8 -39.9 24.7 16.6 -11.9 374 380 A L H < S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.924 112.4 46.5 -61.7 -47.3 22.5 14.7 -14.4 375 381 A H H < S+ 0 0 62 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.864 118.0 40.0 -63.5 -40.1 20.6 12.8 -11.7 376 382 A Y H < S+ 0 0 21 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.640 90.8 102.6 -93.0 -16.3 19.9 15.8 -9.5 377 383 A T S < S- 0 0 1 -4,-1.7 2,-0.8 -5,-0.2 6,-0.1 -0.437 71.1-134.4 -62.3 136.0 19.1 18.3 -12.3 378 384 A D > - 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