==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-OCT-10 2XUK . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,P.TAYLOR,P.MARCHOT . 1070 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 694 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 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 . 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 . 61 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 26.7 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 6 0 0 3 4 0 2 2 0 6 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 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 . 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 . 4 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 0 145 0, 0.0 3,-1.2 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 -20.6 30.5 14.6 55.4 2 2 A G T 3 + 0 0 80 1,-0.2 0, 0.0 4,-0.0 0, 0.0 0.534 360.0 46.0 -61.5 -24.9 27.7 15.3 58.0 3 3 A R T 3 S+ 0 0 250 2,-0.1 -1,-0.2 3,-0.0 2,-0.2 0.289 91.7 88.0-109.3 9.3 25.7 18.3 56.9 4 4 A E S < S- 0 0 57 -3,-1.2 5,-0.1 1,-0.1 4,-0.0 -0.553 92.0 -65.8-110.7 171.9 25.0 17.7 53.2 5 5 A D > - 0 0 50 -2,-0.2 3,-1.8 1,-0.2 4,-0.2 -0.362 37.9-152.8 -62.5 115.3 22.4 15.9 51.2 6 6 A P G > S+ 0 0 110 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.667 92.1 65.5 -60.6 -15.6 22.7 12.1 52.0 7 7 A Q G 3 S+ 0 0 51 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.434 96.2 55.4 -89.4 2.3 21.2 11.3 48.6 8 8 A L G < S+ 0 0 12 -3,-1.8 11,-2.7 11,-0.1 2,-0.6 0.346 79.6 97.1-118.9 3.9 24.2 12.8 46.7 9 9 A L E < +A 18 0A 28 -3,-0.5 2,-0.3 -4,-0.2 9,-0.2 -0.878 47.2 162.0 -97.0 117.6 27.1 10.8 48.2 10 10 A V E -A 17 0A 8 7,-2.1 7,-3.3 -2,-0.6 2,-0.4 -0.982 28.5-140.4-131.8 143.5 28.1 7.9 46.0 11 11 A R E -A 16 0A 159 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.862 19.5-176.9-100.4 140.4 31.3 5.7 45.9 12 12 A V E > -A 15 0A 7 3,-3.5 3,-1.6 -2,-0.4 174,-0.1 -0.719 48.6 -86.2-121.3 179.1 32.8 4.5 42.6 13 13 A R T 3 S+ 0 0 162 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.840 130.5 48.1 -56.2 -31.2 35.8 2.2 41.9 14 14 A G T 3 S- 0 0 11 1,-0.3 42,-2.5 22,-0.1 2,-0.3 0.560 123.8 -89.0 -87.3 -10.7 38.1 5.3 42.1 15 15 A G E < -A 12 0A 3 -3,-1.6 -3,-3.5 40,-0.2 -1,-0.3 -0.907 66.3 -15.4 139.0-163.4 36.6 6.7 45.3 16 16 A Q E -Ab 11 59A 61 42,-0.6 44,-2.9 -2,-0.3 2,-0.4 -0.515 49.7-166.9 -82.1 142.3 33.8 8.9 46.8 17 17 A L E -Ab 10 60A 1 -7,-3.3 -7,-2.1 42,-0.2 2,-0.6 -0.969 12.0-151.7-125.5 143.4 31.8 11.4 44.7 18 18 A R E -Ab 9 61A 68 42,-2.6 44,-2.8 -2,-0.4 -9,-0.2 -0.969 21.8-170.6-113.5 119.6 29.5 14.3 45.7 19 19 A G - 0 0 4 -11,-2.7 2,-0.4 -2,-0.6 13,-0.2 -0.128 17.4-112.6 -91.3-168.2 26.8 15.1 43.2 20 20 A I E -C 31 0B 55 11,-2.7 11,-2.3 42,-0.3 2,-0.7 -0.989 14.2-127.9-136.3 135.9 24.3 17.9 42.9 21 21 A R E -C 30 0B 126 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.769 35.5-164.8 -83.2 112.0 20.5 17.9 43.2 22 22 A L E -C 29 0B 30 7,-3.3 7,-2.5 -2,-0.7 2,-0.5 -0.698 16.1-120.3-100.6 155.1 19.2 19.6 40.0 23 23 A K E +C 28 0B 156 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.802 29.3 176.4 -94.6 128.7 15.8 21.1 39.2 24 24 A A E > -C 27 0B 6 3,-1.2 3,-2.0 -2,-0.5 432,-0.0 -0.925 45.0-103.3-124.9 158.0 13.6 19.8 36.4 25 25 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 431,-0.1 0.835 122.1 39.8 -52.9 -39.0 10.1 20.9 35.5 26 26 A G T 3 S- 0 0 56 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.573 130.2 -67.4 -85.3 -9.8 8.5 17.8 37.0 27 27 A G E < S-C 24 0B 21 -3,-2.0 -3,-1.2 2,-0.0 -1,-0.3 -0.915 72.1 -26.9 146.0-173.1 10.8 17.6 40.0 28 28 A P E -C 23 0B 36 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.300 42.3-168.5 -81.4 151.3 14.4 17.0 41.2 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-3.3 75,-0.2 2,-0.5 -0.980 21.9-123.5-132.1 150.3 17.2 14.9 39.6 30 30 A S E -CD 21 103B 0 73,-2.7 73,-2.8 -2,-0.3 2,-0.4 -0.777 30.1-173.6 -88.5 130.7 20.6 13.7 40.8 31 31 A A E -CD 20 102B 0 -11,-2.3 -11,-2.7 -2,-0.5 2,-0.5 -0.985 17.5-171.0-124.2 139.1 23.5 14.7 38.7 32 32 A F E - D 0 101B 0 69,-2.8 69,-2.4 -2,-0.4 3,-0.4 -0.891 23.0-174.1-126.2 99.1 27.1 13.6 39.0 33 33 A L E +m 63 0C 9 29,-2.8 31,-0.5 -2,-0.5 67,-0.2 -0.718 54.1 15.1-102.2 141.0 29.1 15.9 36.6 34 34 A G E + 0 0 2 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.843 67.5 173.0 71.4 39.9 32.7 15.7 35.6 35 35 A I E - D 0 99B 0 64,-2.9 64,-2.4 -3,-0.4 2,-0.2 -0.681 33.5-126.0 -80.3 120.8 33.7 12.2 36.9 36 36 A P E + D 0 98B 6 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.499 35.3 170.1 -64.2 128.9 37.3 11.4 35.8 37 37 A F + 0 0 4 60,-1.9 16,-1.4 -2,-0.2 2,-0.3 0.531 62.3 31.6-114.2 -10.9 37.3 8.1 34.0 38 38 A A B S-N 52 0D 4 59,-1.0 -1,-0.2 14,-0.3 59,-0.1 -0.947 89.2 -94.3-138.6 157.8 40.8 8.2 32.6 39 39 A E - 0 0 20 12,-2.7 12,-0.4 -2,-0.3 14,-0.1 -0.565 65.7 -85.7 -64.8 136.3 44.2 9.5 33.5 40 40 A P - 0 0 33 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.233 36.4-135.9 -48.2 119.5 44.6 12.9 31.8 41 41 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.173 60.8 130.0 -78.4 52.3 45.9 12.2 28.3 42 42 A V > - 0 0 64 -2,-2.2 3,-2.2 3,-0.1 2,-0.2 -0.488 54.4 -1.3-104.4 168.3 48.5 15.0 28.5 43 43 A G G > S+ 0 0 46 1,-0.3 3,-1.5 2,-0.2 0, 0.0 -0.356 136.6 5.1 61.8-120.9 52.2 15.4 27.9 44 44 A S G 3 S+ 0 0 85 1,-0.3 -1,-0.3 -2,-0.2 227,-0.1 0.560 127.0 68.2 -72.2 -9.6 53.8 12.1 26.9 45 45 A R G X + 0 0 71 -3,-2.2 3,-1.8 -5,-0.1 -1,-0.3 0.433 69.6 122.4 -90.2 -2.3 50.3 10.6 26.8 46 46 A R T < S+ 0 0 13 -3,-1.5 -4,-0.1 1,-0.3 111,-0.1 -0.417 83.6 8.8 -63.8 137.8 49.1 12.6 23.8 47 47 A F T 3 S+ 0 0 2 109,-0.6 122,-0.5 1,-0.2 -1,-0.3 0.335 107.8 117.6 72.0 -2.4 48.0 10.4 20.9 48 48 A M S < S- 0 0 46 -3,-1.8 -1,-0.2 -7,-0.1 3,-0.1 -0.633 75.7 -90.3-101.9 150.7 48.2 7.4 23.2 49 49 A P - 0 0 53 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.163 54.4 -97.8 -50.8 149.7 45.3 5.0 24.4 50 50 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.483 30.9-145.8 -74.3 144.5 43.7 6.1 27.6 51 51 A E - 0 0 102 -12,-0.4 -12,-2.7 -2,-0.1 3,-0.1 -0.882 34.4 -93.1-103.3 142.1 44.8 4.5 30.9 52 52 A P B -N 38 0D 82 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.227 49.7 -95.1 -52.2 137.9 42.1 3.9 33.7 53 53 A K - 0 0 69 -16,-1.4 -14,-0.1 1,-0.1 3,-0.1 -0.328 40.4-124.0 -59.2 130.8 41.7 6.8 36.2 54 54 A R - 0 0 148 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.511 36.0 -91.8 -74.4 145.0 43.8 6.1 39.3 55 55 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.211 41.0-155.3 -55.6 145.5 42.0 6.1 42.7 56 56 A W - 0 0 49 -42,-2.5 2,-0.3 2,-0.1 -40,-0.3 -0.860 10.3-126.2-118.7 156.8 41.8 9.4 44.6 57 57 A S S S+ 0 0 122 -2,-0.3 -42,-0.0 -42,-0.1 -43,-0.0 -0.717 70.1 22.8-102.5 159.5 41.3 10.1 48.3 58 58 A G S S- 0 0 51 -2,-0.3 2,-0.6 2,-0.1 -42,-0.6 -0.124 106.4 -43.8 75.6-179.6 38.6 12.3 49.8 59 59 A V E -b 16 0A 50 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.731 53.8-141.1 -88.8 118.4 35.4 13.3 48.2 60 60 A L E -b 17 0A 39 -44,-2.9 -42,-2.6 -2,-0.6 2,-0.6 -0.663 20.2-124.7 -77.1 130.5 35.6 14.3 44.6 61 61 A D E +b 18 0A 81 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.663 33.7 172.8 -80.3 120.6 33.4 17.2 43.8 62 62 A A + 0 0 0 -44,-2.8 -29,-2.8 -2,-0.6 -42,-0.3 -0.229 42.8 109.0-122.7 43.4 31.1 16.2 40.9 63 63 A T B S+m 33 0C 33 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.547 73.2 44.4 -98.4 -10.9 28.8 19.2 40.9 64 64 A T S S- 0 0 74 -31,-0.5 -1,-0.1 -3,-0.2 0, 0.0 -0.979 86.3 -96.0-138.8 150.0 29.9 20.9 37.6 65 65 A F - 0 0 36 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.276 42.6-137.3 -58.6 145.0 30.9 20.0 34.0 66 66 A Q - 0 0 64 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.282 40.1 -49.7 -99.4-178.0 34.6 19.5 33.4 67 67 A N - 0 0 34 28,-0.3 2,-0.3 1,-0.1 31,-0.2 -0.114 50.5-123.9 -56.7 150.0 36.8 20.7 30.5 68 68 A V E -o 92 0E 0 23,-2.3 25,-2.6 -3,-0.1 3,-0.1 -0.706 37.3 -98.2 -89.6 142.7 35.9 20.2 26.9 69 69 A a E -o 93 0E 2 57,-0.3 25,-0.2 -2,-0.3 57,-0.1 -0.365 53.7 -83.9 -65.3 143.6 38.5 18.4 24.8 70 70 A Y S S+ 0 0 49 23,-0.6 83,-0.4 22,-0.1 2,-0.3 -0.161 70.7 148.0 -50.4 130.8 40.8 20.6 22.7 71 71 A Q - 0 0 4 -3,-0.1 2,-0.5 81,-0.1 54,-0.1 -0.992 53.4 -80.4-162.0 163.1 39.0 21.6 19.5 72 72 A Y - 0 0 108 52,-0.7 2,-0.5 -2,-0.3 52,-0.0 -0.639 44.8-138.7 -72.3 118.8 38.4 24.1 16.7 73 73 A V - 0 0 60 -2,-0.5 2,-0.2 14,-0.1 14,-0.1 -0.724 21.6-119.0 -82.0 122.1 35.9 26.6 17.9 74 74 A D + 0 0 16 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.413 38.9 167.1 -67.1 124.1 33.3 27.4 15.1 75 75 A T + 0 0 87 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.140 35.4 118.4-123.4 21.3 33.3 31.1 14.1 76 76 A L S S+ 0 0 66 1,-0.3 -1,-0.1 4,-0.0 -2,-0.0 0.923 96.9 11.0 -52.5 -48.2 31.3 31.1 10.8 77 77 A Y S > S- 0 0 35 3,-0.1 3,-2.3 -3,-0.1 -1,-0.3 -0.704 86.5-149.5-133.7 81.1 28.7 33.5 12.4 78 78 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.237 83.3 17.0 -58.8 135.9 29.9 34.8 15.7 79 79 A G T 3 S+ 0 0 70 1,-0.2 2,-0.5 2,-0.1 -4,-0.0 0.107 92.4 132.4 91.3 -19.0 27.1 35.5 18.2 80 80 A F X> - 0 0 27 -3,-2.3 4,-2.8 1,-0.1 3,-1.9 -0.550 53.4-147.7 -75.6 117.0 24.7 33.3 16.2 81 81 A E H 3> S+ 0 0 130 -2,-0.5 4,-2.6 1,-0.3 5,-0.2 0.887 94.1 65.9 -43.6 -49.2 22.7 30.9 18.3 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 353,-0.1 0.661 116.8 23.6 -54.8 -24.5 22.6 28.4 15.5 83 83 A T H X4 S+ 0 0 0 -3,-1.9 3,-1.4 -6,-0.3 4,-0.5 0.736 118.3 58.8-109.3 -39.0 26.4 27.8 15.5 84 84 A E H >< S+ 0 0 72 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.811 91.6 69.7 -61.1 -33.2 27.3 28.8 19.1 85 85 A M T 3< S+ 0 0 39 -4,-2.6 47,-0.3 -5,-0.3 -1,-0.3 0.711 103.5 45.0 -62.0 -16.7 25.0 26.2 20.6 86 86 A W T < S+ 0 0 57 -3,-1.4 -1,-0.3 -5,-0.2 40,-0.2 0.563 94.3 100.2 -98.7 -12.8 27.4 23.6 19.4 87 87 A N S < S- 0 0 16 -3,-1.3 -14,-0.1 -4,-0.5 40,-0.1 -0.325 90.9 -78.8 -74.4 156.4 30.6 25.5 20.5 88 88 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.255 35.6-168.0 -60.7 141.7 32.4 24.4 23.7 89 89 A N S S+ 0 0 58 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.203 72.4 50.9-114.8 8.7 30.7 25.7 26.9 90 90 A R S S- 0 0 96 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.908 103.9 -75.9-132.6 165.6 33.6 24.9 29.2 91 91 A E - 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