==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-DEC-10 2Y2V . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.AKFUR,E.ARTURSSON,F.EKSTROM . 1060 6 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 64.5 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 . 62 5.8 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 . 56 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 27.1 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 7 3 1 6 1 1 3 4 0 2 0 2 5 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 4 2 4 1 3 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 . 2 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 . 2 2 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 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 0 171 0, 0.0 2,-0.4 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 176.0 30.6 14.8 55.5 2 2 A G + 0 0 67 2,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.508 360.0 39.6 119.9 -64.9 27.9 15.3 58.1 3 3 A R S S+ 0 0 245 -2,-0.4 2,-0.2 2,-0.1 -1,-0.0 0.043 94.3 107.7-106.9 21.6 25.8 18.4 57.1 4 4 A E S S- 0 0 59 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.547 88.7 -84.4 -98.5 161.5 25.8 17.5 53.4 5 5 A D > - 0 0 46 -2,-0.2 3,-2.1 1,-0.2 4,-0.1 -0.578 39.6-152.9 -67.1 109.0 22.9 16.2 51.4 6 6 A P G > S+ 0 0 98 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.755 89.8 63.2 -57.3 -26.5 23.2 12.4 52.1 7 7 A Q G 3 S+ 0 0 85 1,-0.2 100,-0.3 -3,-0.0 -2,-0.1 0.444 97.1 57.5 -85.0 5.4 21.6 11.5 48.8 8 8 A L G < S+ 0 0 13 -3,-2.1 11,-2.5 11,-0.1 2,-0.5 0.255 81.1 98.6-114.0 10.0 24.4 13.1 46.8 9 9 A L E < +A 18 0A 33 -3,-1.0 2,-0.3 9,-0.2 9,-0.2 -0.887 47.5 163.7-104.9 125.1 27.3 11.1 48.2 10 10 A V E -A 17 0A 10 7,-2.2 7,-3.5 -2,-0.5 2,-0.4 -0.984 27.3-142.4-141.6 145.9 28.4 8.1 46.1 11 11 A R E +A 16 0A 157 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.937 19.4 177.8-111.3 135.9 31.4 5.9 45.8 12 12 A V E > -A 15 0A 5 3,-3.3 3,-2.3 -2,-0.4 174,-0.1 -0.812 49.9 -84.6-123.3 171.7 32.9 4.6 42.6 13 13 A R T 3 S+ 0 0 161 1,-0.3 3,-0.1 -2,-0.3 169,-0.0 0.780 127.6 45.3 -44.8 -38.3 36.0 2.4 41.8 14 14 A G T 3 S- 0 0 9 1,-0.2 42,-2.6 22,-0.1 2,-0.3 0.586 123.7 -77.1 -86.9 -10.9 38.3 5.3 41.9 15 15 A G E < -A 12 0A 5 -3,-2.3 -3,-3.3 40,-0.2 2,-0.3 -0.985 65.1 -27.8 150.3-162.1 37.0 7.0 45.0 16 16 A Q E -Ab 11 59A 61 42,-0.9 44,-3.2 -2,-0.3 2,-0.4 -0.721 47.6-164.3 -99.2 141.8 34.3 9.1 46.6 17 17 A L E -Ab 10 60A 1 -7,-3.5 -7,-2.2 -2,-0.3 2,-0.5 -0.935 14.4-155.5-127.4 147.1 32.1 11.7 44.8 18 18 A R E -Ab 9 61A 65 42,-2.2 44,-2.9 -2,-0.4 -9,-0.2 -0.987 23.4-174.9-116.5 123.1 29.8 14.5 45.8 19 19 A G - 0 0 4 -11,-2.5 2,-0.4 -2,-0.5 13,-0.2 -0.230 18.5-106.2-102.5-165.5 27.1 15.4 43.3 20 20 A I E -C 31 0B 55 11,-2.8 11,-2.3 42,-0.3 2,-0.7 -0.961 12.8-126.4-133.7 140.4 24.5 18.1 42.9 21 21 A R E -C 30 0B 132 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.771 37.0-166.0 -80.2 117.5 20.7 18.5 43.3 22 22 A L E -C 29 0B 27 7,-3.0 7,-2.1 -2,-0.7 2,-0.5 -0.842 17.2-123.0-108.8 145.9 19.6 20.1 40.0 23 23 A K E +C 28 0B 157 -2,-0.4 113,-0.1 5,-0.2 3,-0.0 -0.742 29.0 179.1 -89.6 126.2 16.2 21.6 39.3 24 24 A A E > -C 27 0B 2 3,-1.9 3,-2.2 -2,-0.5 430,-0.0 -0.842 45.8 -98.4-114.5 161.6 14.2 20.2 36.4 25 25 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.0 0, 0.0 112,-0.0 0.855 123.3 33.9 -47.0 -44.3 10.7 21.5 35.4 26 26 A G T 3 S- 0 0 55 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.222 130.7 -54.7-100.9 14.1 8.9 18.7 37.2 27 27 A G E < S-C 24 0B 23 -3,-2.2 -3,-1.9 2,-0.0 -1,-0.2 -0.825 74.0 -38.3 140.6-177.8 11.3 18.2 40.2 28 28 A P E -C 23 0B 33 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.374 41.4-169.5 -81.0 154.1 14.9 17.6 41.2 29 29 A V E -CD 22 104B 0 -7,-2.1 -7,-3.0 75,-0.2 2,-0.5 -0.946 24.3-116.9-133.1 158.5 17.5 15.3 39.7 30 30 A S E -CD 21 103B 0 73,-2.8 73,-2.3 -2,-0.3 2,-0.4 -0.824 31.6-171.3 -92.6 132.6 20.9 14.1 40.8 31 31 A A E -CD 20 102B 0 -11,-2.3 -11,-2.8 -2,-0.5 2,-0.5 -0.985 16.2-173.3-127.4 138.4 23.9 15.1 38.7 32 32 A F E - D 0 101B 0 69,-2.8 69,-1.5 -2,-0.4 3,-0.4 -0.879 21.8-177.0-127.7 96.3 27.5 14.0 38.9 33 33 A L E +m 63 0C 10 29,-2.3 31,-0.6 -2,-0.5 67,-0.2 -0.711 53.8 18.0-105.2 144.4 29.6 16.1 36.5 34 34 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.836 68.0 169.6 71.6 36.1 33.3 15.9 35.6 35 35 A I E - D 0 99B 0 64,-2.7 64,-2.5 -3,-0.4 -1,-0.2 -0.715 33.4-129.1 -77.8 119.0 34.0 12.4 36.9 36 36 A P E + D 0 98B 7 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.453 33.1 171.0 -68.7 139.8 37.5 11.5 35.6 37 37 A F + 0 0 4 60,-1.7 16,-1.0 1,-0.2 2,-0.3 0.400 62.4 33.1-126.4 -3.4 37.6 8.1 33.9 38 38 A A B S-N 52 0D 4 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.963 88.6 -93.2-145.6 156.7 41.2 8.1 32.5 39 39 A E - 0 0 19 12,-3.2 12,-0.3 -2,-0.3 14,-0.1 -0.568 65.9 -85.5 -64.5 137.1 44.6 9.5 33.3 40 40 A P - 0 0 32 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.259 35.9-135.1 -45.0 123.1 45.0 12.9 31.6 41 41 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.248 61.8 131.2 -80.2 50.6 46.1 12.2 28.0 42 42 A V > - 0 0 59 -2,-1.8 3,-2.5 3,-0.1 4,-0.1 -0.515 55.4 -6.6-104.2 168.6 48.7 14.9 28.3 43 43 A G G > S+ 0 0 47 1,-0.3 3,-2.0 2,-0.2 0, 0.0 -0.254 136.5 7.8 54.7-123.3 52.5 15.3 27.6 44 44 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 3,-0.1 224,-0.1 0.570 128.3 64.5 -67.4 -7.1 54.0 11.9 26.7 45 45 A R G X S+ 0 0 67 -3,-2.5 3,-2.2 -5,-0.1 -1,-0.3 0.517 70.3 120.9 -93.5 -6.5 50.5 10.5 26.6 46 46 A R T < S+ 0 0 10 -3,-2.0 -4,-0.1 1,-0.3 222,-0.1 -0.398 84.7 12.4 -59.3 131.3 49.3 12.6 23.7 47 47 A F T 3 S+ 0 0 1 109,-0.5 122,-0.4 1,-0.3 -1,-0.3 0.271 107.0 119.8 83.9 -7.3 48.2 10.4 20.8 48 48 A M S < S- 0 0 29 -3,-2.2 -1,-0.3 119,-0.1 3,-0.1 -0.579 74.9 -95.7 -92.1 151.7 48.3 7.4 23.1 49 49 A P - 0 0 56 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.308 55.1 -97.3 -56.0 144.0 45.5 5.0 24.1 50 50 A P - 0 0 24 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.379 30.1-147.2 -70.8 144.9 43.9 6.1 27.4 51 51 A E - 0 0 73 -12,-0.3 -12,-3.2 -3,-0.1 3,-0.1 -0.911 34.9 -95.0-107.7 139.6 45.0 4.5 30.7 52 52 A P B -N 38 0D 79 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.177 47.0 -94.5 -56.2 146.3 42.3 4.2 33.4 53 53 A K - 0 0 66 -16,-1.0 -14,-0.1 -15,-0.1 3,-0.1 -0.396 38.5-125.5 -64.6 132.3 42.1 6.9 36.1 54 54 A R - 0 0 135 -2,-0.1 -1,-0.1 1,-0.1 -40,-0.1 -0.591 38.6 -91.1 -81.2 141.0 44.1 6.1 39.2 55 55 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.084 42.9-148.3 -54.0 150.6 42.0 6.3 42.4 56 56 A W - 0 0 50 -42,-2.6 2,-0.4 2,-0.1 -40,-0.2 -0.672 10.4-117.0-113.2 170.6 42.0 9.6 44.3 57 57 A S S S+ 0 0 118 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.0 -0.870 71.0 10.6-110.9 146.8 41.7 10.4 47.9 58 58 A G S S- 0 0 48 -2,-0.4 -42,-0.9 2,-0.1 2,-0.8 -0.325 107.0 -38.1 89.2-172.5 39.0 12.4 49.6 59 59 A V E -b 16 0A 50 -44,-0.1 2,-0.3 -2,-0.1 -42,-0.2 -0.815 57.1-143.3 -93.5 109.9 35.6 13.4 48.1 60 60 A L E -b 17 0A 39 -44,-3.2 -42,-2.2 -2,-0.8 2,-0.6 -0.573 20.2-124.9 -67.5 127.8 36.0 14.4 44.5 61 61 A D E +b 18 0A 76 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.1 -0.703 31.8 177.4 -79.6 121.8 33.7 17.3 43.9 62 62 A A + 0 0 0 -44,-2.9 -29,-2.3 -2,-0.6 -42,-0.3 -0.411 44.5 107.9-121.1 51.7 31.5 16.3 40.9 63 63 A T B S+m 33 0C 34 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.368 71.6 46.6-114.2 -0.1 29.2 19.4 40.7 64 64 A T S S- 0 0 85 -31,-0.6 -1,-0.1 -3,-0.2 -3,-0.0 -1.000 86.5 -96.6-143.8 147.8 30.5 21.1 37.5 65 65 A F - 0 0 36 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.271 41.8-133.3 -56.6 142.5 31.4 20.2 34.0 66 66 A Q - 0 0 63 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.314 41.5 -51.9 -91.7 177.1 35.0 19.6 33.3 67 67 A N - 0 0 27 28,-0.3 2,-0.3 1,-0.1 31,-0.2 -0.008 52.1-120.9 -48.4 149.8 37.3 20.8 30.5 68 68 A V E -o 92 0E 0 23,-2.5 25,-2.3 22,-0.1 3,-0.1 -0.754 39.0 -97.1 -88.4 141.4 36.3 20.4 26.9 69 69 A a E -o 93 0E 1 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.330 53.4 -86.7 -61.6 140.4 38.8 18.4 24.8 70 70 A Y S S+ 0 0 44 23,-0.8 83,-0.3 22,-0.1 2,-0.3 -0.206 71.6 146.2 -53.7 126.9 41.2 20.6 22.9 71 71 A Q - 0 0 3 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.988 51.8 -75.1-158.7 162.6 39.6 21.5 19.6 72 72 A Y - 0 0 71 52,-0.8 2,-0.5 -2,-0.3 52,-0.0 -0.384 43.6-142.0 -57.1 136.7 38.9 23.9 16.7 73 73 A V - 0 0 64 -2,-0.1 2,-0.1 14,-0.1 14,-0.1 -0.938 20.6-116.3-112.1 126.2 36.5 26.7 17.6 74 74 A D + 0 0 23 -2,-0.5 13,-0.0 9,-0.2 9,-0.0 -0.324 36.0 168.2 -71.7 141.9 34.0 27.9 15.0 75 75 A T + 0 0 90 3,-0.1 -1,-0.1 -2,-0.1 9,-0.0 0.315 42.5 108.5-132.7 2.7 34.2 31.4 13.6 76 76 A L S S+ 0 0 67 1,-0.3 -1,-0.0 7,-0.0 -2,-0.0 0.891 98.9 14.0 -56.2 -44.5 31.9 31.4 10.5 77 77 A Y S > S- 0 0 33 3,-0.1 3,-2.1 265,-0.0 6,-0.3 -0.619 83.9-152.5-135.1 77.0 29.3 33.6 12.2 78 78 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.257 80.8 11.2 -53.5 119.3 30.7 35.1 15.4 79 79 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 -2,-0.1 -4,-0.0 0.157 93.1 127.6 102.0 -16.1 27.9 35.8 18.0 80 80 A F X> - 0 0 29 -3,-2.1 4,-2.3 1,-0.1 3,-1.2 -0.607 55.2-145.7 -81.8 124.4 25.2 33.8 16.2 81 81 A E H 3> S+ 0 0 57 -2,-0.4 4,-2.0 1,-0.3 5,-0.2 0.796 92.7 70.6 -62.3 -29.6 23.5 31.2 18.3 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.825 115.7 23.5 -58.5 -34.1 23.1 28.8 15.5 83 83 A T H X4 S+ 0 0 2 -3,-1.2 3,-1.0 -6,-0.3 4,-0.4 0.744 117.7 61.6 -98.1 -31.9 26.8 28.1 15.5 84 84 A E H >< S+ 0 0 75 -4,-2.3 3,-1.7 1,-0.2 -3,-0.2 0.829 89.6 69.0 -70.0 -32.5 27.7 29.1 19.1 85 85 A M T 3< S+ 0 0 55 -4,-2.0 47,-0.3 1,-0.3 -1,-0.2 0.791 102.2 47.8 -56.2 -28.6 25.5 26.5 20.7 86 86 A W T < S+ 0 0 39 -3,-1.0 -1,-0.3 -5,-0.2 40,-0.2 0.559 94.3 99.5 -88.7 -9.3 28.0 23.8 19.3 87 87 A N S < S- 0 0 20 -3,-1.7 -14,-0.1 -4,-0.4 40,-0.0 -0.366 90.1 -77.3 -79.0 157.9 31.1 25.7 20.5 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.238 37.2-170.6 -55.1 137.5 33.0 24.8 23.7 89 89 A N + 0 0 46 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.188 69.4 44.4-117.3 10.2 31.3 26.0 26.9 90 90 A R S S- 0 0 114 1,-0.0 -22,-0.1 0, 0.0 -24,-0.1 -0.922 106.4 -61.8-140.5 170.4 34.2 25.2 29.3 91 91 A E - 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