==== 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 10-MAY-06 2GYU . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.P.PANG,M.BOMAN,E.ARTURSSON,C.AKFUR,S.LUNDBERG . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 9.6 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 . 4 0.4 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 . 64 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 26.9 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 3 0 4 3 2 1 5 0 2 2 1 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 4 2 4 0 4 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 . 2 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 0 171 0, 0.0 58,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.7 30.3 14.6 55.2 2 2 A G + 0 0 62 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.009 360.0 50.7 141.5 -32.9 27.4 15.0 57.6 3 3 A R S S+ 0 0 243 2,-0.1 2,-0.0 3,-0.0 0, 0.0 0.504 91.3 95.2-107.1 -11.9 25.5 18.2 56.6 4 4 A E S S- 0 0 66 1,-0.1 5,-0.1 2,-0.0 -2,-0.0 -0.173 93.7 -78.9 -73.9 169.5 25.2 17.4 52.9 5 5 A D > - 0 0 46 1,-0.2 3,-1.9 3,-0.1 -1,-0.1 -0.629 38.6-153.7 -69.6 111.0 22.3 15.9 51.0 6 6 A P G > S+ 0 0 97 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.713 90.5 64.9 -64.3 -18.8 22.7 12.1 51.8 7 7 A Q G 3 S+ 0 0 86 1,-0.2 100,-0.3 3,-0.0 -2,-0.1 0.445 97.7 55.3 -87.1 3.4 20.9 11.2 48.6 8 8 A L G < S+ 0 0 13 -3,-1.9 11,-2.8 11,-0.1 2,-0.6 0.262 82.5 97.4-115.7 7.6 23.7 12.8 46.5 9 9 A L E < +A 18 0A 34 -3,-0.9 2,-0.3 9,-0.2 9,-0.2 -0.904 47.1 161.8-106.6 120.2 26.7 10.8 47.9 10 10 A V E -A 17 0A 10 7,-2.0 7,-3.4 -2,-0.6 2,-0.4 -0.984 28.2-140.7-138.0 143.1 27.7 7.8 45.8 11 11 A R E -A 16 0A 154 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.913 19.7-179.9-107.0 135.2 30.8 5.6 45.6 12 12 A V E > -A 15 0A 6 3,-3.1 3,-2.0 -2,-0.4 174,-0.1 -0.738 49.8 -82.6-118.9 176.4 32.3 4.3 42.3 13 13 A R T 3 S+ 0 0 160 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.802 130.0 46.1 -49.3 -37.8 35.4 2.1 41.6 14 14 A G T 3 S- 0 0 9 1,-0.2 42,-2.4 22,-0.1 2,-0.3 0.574 123.5 -86.8 -86.6 -12.2 37.7 5.1 41.7 15 15 A G E < -A 12 0A 4 -3,-2.0 -3,-3.1 40,-0.2 -1,-0.2 -0.922 65.2 -16.0 145.8-162.2 36.2 6.6 44.9 16 16 A Q E -Ab 11 59A 58 42,-0.8 44,-3.0 -2,-0.3 2,-0.4 -0.527 49.2-165.9 -80.9 141.7 33.5 8.8 46.4 17 17 A L E -Ab 10 60A 1 -7,-3.4 -7,-2.0 42,-0.2 2,-0.5 -0.947 13.0-154.1-124.4 146.9 31.4 11.3 44.5 18 18 A R E -Ab 9 61A 65 42,-2.5 44,-3.0 -2,-0.4 -9,-0.2 -0.983 22.8-172.4-116.9 118.0 29.2 14.2 45.5 19 19 A G - 0 0 4 -11,-2.8 2,-0.4 -2,-0.5 13,-0.2 -0.147 17.5-111.7 -94.3-166.8 26.5 15.0 42.9 20 20 A I E -C 31 0B 54 11,-2.7 11,-2.5 42,-0.3 2,-0.7 -0.979 13.7-125.7-134.4 141.4 24.0 17.8 42.6 21 21 A R E -C 30 0B 129 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.795 35.3-164.4 -83.4 114.1 20.2 18.0 42.9 22 22 A L E -C 29 0B 29 7,-2.7 7,-2.5 -2,-0.7 2,-0.6 -0.746 18.0-122.3-100.4 149.5 19.0 19.7 39.6 23 23 A K E +C 28 0B 127 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.823 29.4 179.0 -89.3 116.9 15.6 21.2 38.9 24 24 A A E > -C 27 0B 2 3,-1.9 3,-1.0 -2,-0.6 113,-0.0 -0.780 45.1-102.9-104.5 162.4 13.8 19.7 36.0 25 25 A P T 3 S+ 0 0 58 0, 0.0 112,-0.0 0, 0.0 -1,-0.0 0.822 120.4 41.2 -57.3 -33.7 10.3 21.1 35.2 26 26 A G T 3 S- 0 0 58 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.581 130.8 -57.0 -91.5 -11.7 8.4 18.1 36.7 27 27 A G E < S-C 24 0B 9 -3,-1.0 -3,-1.9 -5,-0.0 -1,-0.3 -0.930 76.3 -37.2 157.2-176.3 10.7 17.8 39.8 28 28 A P E -C 23 0B 35 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.318 44.0-167.4 -73.9 154.2 14.3 17.2 40.9 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-2.7 75,-0.2 2,-0.5 -0.911 22.3-117.6-130.1 162.9 16.9 15.0 39.3 30 30 A S E -CD 21 103B 0 73,-3.1 73,-2.3 -2,-0.3 2,-0.4 -0.875 29.7-170.8 -99.4 131.3 20.3 13.8 40.4 31 31 A A E -CD 20 102B 0 -11,-2.5 -11,-2.7 -2,-0.5 2,-0.5 -0.984 16.0-174.5-125.6 135.8 23.4 14.8 38.4 32 32 A F E + D 0 101B 0 69,-3.0 69,-2.1 -2,-0.4 3,-0.4 -0.869 23.5 180.0-126.5 95.2 26.9 13.6 38.7 33 33 A L E +n 63 0C 9 29,-2.6 31,-0.6 -2,-0.5 67,-0.2 -0.759 53.0 20.0-107.9 140.2 28.9 15.8 36.3 34 34 A G E + 0 0 5 65,-0.4 -1,-0.2 -2,-0.3 66,-0.2 0.807 69.3 167.4 76.4 33.6 32.7 15.7 35.5 35 35 A I E - D 0 99B 0 64,-2.5 64,-2.5 -3,-0.4 -1,-0.2 -0.702 34.7-129.2 -79.8 118.9 33.4 12.1 36.7 36 36 A P E + D 0 98B 3 0, 0.0 62,-0.3 0, 0.0 -22,-0.1 -0.509 32.3 172.1 -71.9 133.5 36.9 11.2 35.4 37 37 A F + 0 0 5 60,-1.6 16,-1.0 -2,-0.2 2,-0.3 0.385 64.9 32.3-117.2 -1.2 36.9 7.8 33.7 38 38 A A B S-O 52 0D 2 59,-0.9 15,-0.2 14,-0.3 -1,-0.1 -0.970 88.3 -93.6-147.7 157.0 40.5 8.0 32.4 39 39 A E - 0 0 18 12,-2.6 12,-0.4 -2,-0.3 14,-0.1 -0.551 66.4 -85.3 -62.6 138.6 43.9 9.3 33.3 40 40 A P - 0 0 31 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.283 37.8-134.9 -50.2 123.0 44.3 12.7 31.6 41 41 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.407 61.4 127.5 -82.8 67.5 45.5 11.9 28.1 42 42 A V > - 0 0 59 -2,-2.0 3,-2.3 4,-0.1 2,-0.2 -0.730 54.9 -1.1-126.9 159.6 48.2 14.6 28.3 43 43 A G G > S+ 0 0 47 1,-0.3 3,-1.7 -2,-0.2 0, 0.0 -0.430 137.9 5.1 64.8-123.7 52.0 15.1 27.7 44 44 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -2,-0.2 224,-0.0 0.616 128.9 65.7 -67.9 -10.1 53.4 11.7 26.8 45 45 A R G X S+ 0 0 69 -3,-2.3 3,-1.8 -5,-0.1 -1,-0.3 0.494 71.3 120.4 -91.3 -3.5 49.8 10.2 26.7 46 46 A R T < S+ 0 0 11 -3,-1.7 -4,-0.1 1,-0.3 222,-0.1 -0.407 83.6 10.4 -64.5 138.0 48.7 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 0.307 107.8 116.9 74.3 -4.5 47.6 10.2 20.8 48 48 A M S < S- 0 0 33 -3,-1.8 -1,-0.3 1,-0.1 118,-0.1 -0.535 77.3 -91.2 -95.1 155.5 47.7 7.1 23.0 49 49 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.307 55.1 -98.6 -57.0 152.1 44.9 4.8 24.1 50 50 A P - 0 0 20 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.436 30.5-143.9 -74.5 146.6 43.3 6.0 27.3 51 51 A E - 0 0 92 -12,-0.4 -12,-2.6 -2,-0.1 3,-0.1 -0.888 34.0 -93.8-105.8 141.5 44.3 4.3 30.6 52 52 A P B -O 38 0D 86 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.151 49.5 -93.2 -53.8 146.9 41.6 3.8 33.2 53 53 A K - 0 0 63 -16,-1.0 -14,-0.1 -15,-0.2 3,-0.1 -0.443 38.3-128.3 -60.4 129.0 41.3 6.5 35.9 54 54 A R - 0 0 151 -2,-0.2 -40,-0.1 1,-0.1 -1,-0.1 -0.606 39.4 -89.4 -77.7 140.6 43.4 5.8 39.0 55 55 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.137 41.1-145.3 -54.5 145.0 41.4 6.0 42.2 56 56 A W - 0 0 46 -42,-2.4 2,-0.3 2,-0.1 -40,-0.2 -0.712 11.2-121.0-105.3 159.8 41.2 9.4 44.0 57 57 A S S S+ 0 0 119 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.763 71.6 8.4 -98.1 150.5 41.1 10.1 47.8 58 58 A G S S- 0 0 47 -2,-0.3 -42,-0.8 2,-0.1 2,-0.7 -0.278 107.5 -37.3 82.5-168.1 38.3 12.0 49.4 59 59 A V E -b 16 0A 50 -44,-0.1 2,-0.4 -2,-0.1 -42,-0.2 -0.863 56.4-143.0 -99.1 116.5 35.0 13.0 47.9 60 60 A L E -b 17 0A 38 -44,-3.0 -42,-2.5 -2,-0.7 2,-0.5 -0.682 19.5-123.4 -78.4 127.1 35.3 14.2 44.3 61 61 A D E +b 18 0A 75 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.627 32.9 174.9 -72.6 119.2 33.0 17.1 43.5 62 62 A A + 0 0 0 -44,-3.0 -29,-2.6 -2,-0.5 -42,-0.3 -0.332 45.7 106.7-118.4 48.1 30.7 16.1 40.6 63 63 A T B S+n 33 0C 36 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.466 73.7 45.4-107.4 -5.2 28.5 19.2 40.5 64 64 A T S S- 0 0 85 -31,-0.6 2,-0.1 -3,-0.2 -1,-0.0 -0.963 87.7 -97.7-139.9 151.6 29.8 20.9 37.4 65 65 A F - 0 0 36 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.365 41.5-130.4 -64.4 146.9 30.7 19.9 33.9 66 66 A Q - 0 0 64 1,-0.2 -1,-0.1 30,-0.1 63,-0.1 -0.230 42.1 -52.4 -91.0-173.7 34.4 19.2 33.2 67 67 A N - 0 0 27 28,-0.3 2,-0.3 1,-0.1 -1,-0.2 -0.161 52.1-120.9 -59.0 149.5 36.7 20.5 30.5 68 68 A V E -p 92 0E 0 23,-2.6 25,-2.8 -3,-0.1 3,-0.1 -0.707 38.8 -97.6 -88.1 141.3 35.8 20.2 26.8 69 69 A a E -p 93 0E 2 57,-0.3 25,-0.2 -2,-0.3 57,-0.1 -0.373 54.1 -85.3 -60.8 138.2 38.2 18.2 24.7 70 70 A Y S S+ 0 0 50 23,-0.9 83,-0.4 22,-0.1 2,-0.3 -0.168 71.7 152.5 -51.2 127.4 40.6 20.4 22.8 71 71 A Q - 0 0 5 -3,-0.1 2,-0.1 83,-0.1 54,-0.1 -0.996 49.6 -88.5-158.7 156.8 39.0 21.4 19.6 72 72 A Y - 0 0 60 52,-0.7 2,-0.5 -2,-0.3 205,-0.0 -0.436 39.0-143.9 -63.1 138.5 38.4 23.7 16.7 73 73 A V - 0 0 52 -2,-0.1 2,-0.2 14,-0.1 14,-0.1 -0.961 16.7-123.8-114.2 115.2 35.7 26.4 17.4 74 74 A D + 0 0 22 -2,-0.5 3,-0.1 9,-0.1 12,-0.1 -0.418 31.2 176.0 -64.3 122.9 33.5 27.3 14.4 75 75 A T + 0 0 99 -2,-0.2 -1,-0.1 1,-0.1 9,-0.0 -0.037 42.5 111.3-118.5 27.5 33.7 31.1 13.8 76 76 A L S S+ 0 0 79 1,-0.3 -1,-0.1 4,-0.0 -2,-0.0 0.950 90.5 21.5 -71.4 -52.0 31.6 31.5 10.6 77 77 A Y S > S- 0 0 32 3,-0.1 3,-1.8 -3,-0.1 -1,-0.3 -0.792 88.5-148.9-116.4 86.7 28.6 33.3 12.2 78 78 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.360 78.7 3.0 -61.8 121.9 29.9 34.9 15.4 79 79 A G T 3 S+ 0 0 64 1,-0.3 2,-0.5 -2,-0.2 -4,-0.0 0.419 91.9 138.4 85.3 0.1 27.3 35.2 18.1 80 80 A F X> - 0 0 29 -3,-1.8 4,-2.9 1,-0.1 3,-1.2 -0.691 52.9-141.8 -79.3 124.5 24.6 33.4 16.0 81 81 A E H 3> S+ 0 0 121 -2,-0.5 4,-2.0 1,-0.3 -1,-0.1 0.839 97.8 63.7 -56.4 -38.0 22.6 31.0 18.2 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.792 117.1 27.6 -59.2 -32.2 22.5 28.4 15.4 83 83 A T H X4 S+ 0 0 2 -3,-1.2 3,-1.3 -6,-0.3 4,-0.4 0.791 117.0 57.8 -95.9 -36.3 26.3 28.1 15.4 84 84 A E H >< S+ 0 0 76 -4,-2.9 3,-1.0 1,-0.3 -3,-0.2 0.776 90.5 72.2 -68.4 -27.1 27.0 28.9 19.1 85 85 A M T 3< S+ 0 0 34 -4,-2.0 47,-0.4 1,-0.3 -1,-0.3 0.665 102.8 44.0 -61.3 -17.0 24.8 26.2 20.5 86 86 A W T < S+ 0 0 45 -3,-1.3 -1,-0.3 -5,-0.1 40,-0.2 0.520 93.0 102.5-102.6 -13.9 27.4 23.6 19.3 87 87 A N S < S- 0 0 16 -3,-1.0 -14,-0.1 -4,-0.4 40,-0.1 -0.362 87.7 -79.0 -73.8 153.7 30.5 25.5 20.5 88 88 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.160 36.3-170.2 -52.2 137.9 32.4 24.5 23.7 89 89 A N + 0 0 46 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.158 69.4 47.8-118.1 14.3 30.7 25.7 26.9 90 90 A R S S- 0 0 118 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.922 105.6 -64.4-142.3 169.2 33.6 24.8 29.2 91 91 A E - 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