==== 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 2GYW . 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) . 38639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 65.1 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 . 64 6.0 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 . 62 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 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 7 3 1 5 2 3 0 6 0 2 2 0 4 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 . 3 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 1 1 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 0 163 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.1 30.4 14.8 55.8 2 2 A G + 0 0 67 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.099 360.0 62.9 85.1 -25.0 27.2 14.9 57.8 3 3 A R S S+ 0 0 243 -2,-0.4 -1,-0.2 2,-0.1 0, 0.0 0.715 88.1 88.2 -97.4 -33.5 26.0 18.4 56.8 4 4 A E S S- 0 0 60 1,-0.2 -2,-0.1 2,-0.1 5,-0.1 -0.033 95.7 -81.3 -62.2 164.9 25.6 17.5 53.1 5 5 A D > - 0 0 47 1,-0.1 3,-1.9 2,-0.0 4,-0.2 -0.601 37.8-142.6 -67.2 114.7 22.6 16.0 51.3 6 6 A P G > S+ 0 0 108 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.675 95.3 60.8 -54.4 -23.8 22.7 12.2 52.0 7 7 A Q G 3 S+ 0 0 50 1,-0.2 100,-0.2 3,-0.0 -2,-0.0 0.470 95.3 60.3 -87.2 0.5 21.5 11.4 48.5 8 8 A L G < S+ 0 0 16 -3,-1.9 11,-2.7 11,-0.1 2,-0.6 0.364 82.0 93.4-109.1 4.1 24.4 13.0 46.6 9 9 A L E < +A 18 0A 33 -3,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.899 48.0 157.1-107.1 117.5 27.1 10.9 48.1 10 10 A V E -A 17 0A 10 7,-1.8 7,-3.2 -2,-0.6 2,-0.4 -0.976 30.4-138.6-138.7 144.1 28.1 7.8 46.0 11 11 A R E -A 16 0A 157 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.900 19.8-178.6-106.5 137.9 31.3 5.7 45.8 12 12 A V E > -A 15 0A 8 3,-3.1 3,-1.3 -2,-0.4 174,-0.1 -0.669 49.2 -83.6-119.8 179.7 32.8 4.4 42.5 13 13 A R T 3 S+ 0 0 163 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.834 129.4 46.7 -58.4 -34.0 35.8 2.2 41.8 14 14 A G T 3 S- 0 0 11 1,-0.2 42,-2.5 22,-0.1 2,-0.3 0.562 123.0 -86.6 -83.8 -12.8 38.2 5.2 42.0 15 15 A G E < -A 12 0A 5 -3,-1.3 -3,-3.1 40,-0.2 2,-0.3 -0.955 65.4 -15.0 145.6-159.4 36.7 6.7 45.2 16 16 A Q E -Ab 11 59A 62 42,-0.8 44,-3.2 -2,-0.3 2,-0.3 -0.622 49.5-165.1 -90.1 139.5 34.0 8.9 46.7 17 17 A L E -Ab 10 60A 1 -7,-3.2 -7,-1.8 -2,-0.3 2,-0.5 -0.938 12.8-156.4-124.7 143.6 31.9 11.4 44.8 18 18 A R E -Ab 9 61A 67 42,-2.4 44,-3.0 -2,-0.3 -9,-0.2 -0.981 21.9-172.1-116.6 121.9 29.6 14.3 45.7 19 19 A G - 0 0 4 -11,-2.7 2,-0.4 -2,-0.5 13,-0.2 -0.252 18.0-110.8 -99.8-170.1 26.9 15.2 43.2 20 20 A I E -C 31 0B 54 11,-2.5 11,-2.1 42,-0.4 2,-0.7 -0.953 14.1-128.7-129.4 141.2 24.4 18.0 42.8 21 21 A R E -C 30 0B 138 -2,-0.4 2,-0.2 9,-0.2 9,-0.2 -0.829 35.3-165.3 -85.4 113.6 20.6 18.2 43.1 22 22 A L E -C 29 0B 29 7,-2.8 7,-2.1 -2,-0.7 2,-0.6 -0.685 17.9-119.8-100.5 158.5 19.4 19.9 39.8 23 23 A K E -C 28 0B 138 -2,-0.2 113,-0.1 5,-0.2 3,-0.0 -0.862 29.1-179.4-100.9 118.0 16.0 21.4 39.1 24 24 A A E > -C 27 0B 0 3,-1.8 3,-1.6 -2,-0.6 113,-0.0 -0.826 44.7-102.1-107.9 158.5 14.1 19.9 36.2 25 25 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 112,-0.0 0.859 122.2 38.8 -47.5 -41.9 10.6 21.3 35.3 26 26 A G T 3 S- 0 0 57 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.487 131.2 -59.9 -91.1 -3.3 8.8 18.4 37.0 27 27 A G E < S-C 24 0B 10 -3,-1.6 -3,-1.8 2,-0.0 -1,-0.3 -0.899 75.8 -33.0 147.3-175.8 11.1 18.0 40.0 28 28 A P E -C 23 0B 36 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.343 41.2-167.7 -79.8 152.0 14.7 17.4 41.0 29 29 A V E -CD 22 104B 0 -7,-2.1 -7,-2.8 75,-0.2 2,-0.4 -0.912 21.8-121.4-129.0 157.7 17.5 15.2 39.5 30 30 A S E -CD 21 103B 0 73,-2.9 73,-2.3 -2,-0.3 2,-0.4 -0.852 29.4-171.5 -98.0 138.0 20.9 13.9 40.7 31 31 A A E -CD 20 102B 0 -11,-2.1 -11,-2.5 -2,-0.4 2,-0.6 -0.993 17.6-170.8-135.7 133.7 23.9 14.9 38.6 32 32 A F E - D 0 101B 0 69,-2.9 69,-2.5 -2,-0.4 2,-0.3 -0.949 24.4-176.3-124.6 103.4 27.5 13.7 38.9 33 33 A L E +m 63 0C 9 29,-2.8 31,-0.5 -2,-0.6 67,-0.2 -0.834 54.0 15.7-115.9 142.0 29.5 15.9 36.6 34 34 A G E + 0 0 3 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.897 69.4 171.1 62.3 44.1 33.2 15.8 35.7 35 35 A I E - D 0 99B 0 64,-2.7 64,-2.0 -3,-0.3 -1,-0.2 -0.754 34.5-126.4 -79.2 118.1 34.0 12.3 37.0 36 36 A P E + D 0 98B 6 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.435 33.5 173.3 -69.5 130.3 37.5 11.4 35.8 37 37 A F + 0 0 4 60,-2.0 16,-1.2 -2,-0.2 2,-0.3 0.489 63.0 27.6-112.4 -4.9 37.6 8.1 33.9 38 38 A A B S-N 52 0D 3 59,-1.0 -1,-0.1 14,-0.3 15,-0.1 -0.953 88.9 -89.3-144.2 163.3 41.2 8.1 32.7 39 39 A E - 0 0 22 12,-2.3 12,-0.4 -2,-0.3 14,-0.1 -0.578 66.9 -86.6 -66.5 134.9 44.6 9.4 33.6 40 40 A P - 0 0 33 0, 0.0 2,-2.8 0, 0.0 55,-0.2 -0.263 37.5-134.7 -47.3 116.3 45.0 12.9 31.9 41 41 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.265 61.7 129.4 -75.5 59.8 46.2 12.0 28.4 42 42 A V > + 0 0 61 -2,-2.8 3,-2.1 4,-0.1 2,-0.1 -0.628 53.6 0.4-115.4 164.8 48.9 14.8 28.6 43 43 A G G > S+ 0 0 47 1,-0.3 3,-1.9 -2,-0.2 0, 0.0 -0.380 137.6 3.4 62.7-127.4 52.6 15.2 28.0 44 44 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 -2,-0.1 224,-0.1 0.495 127.8 67.8 -71.2 -0.7 54.1 11.9 26.9 45 45 A R G X S+ 0 0 69 -3,-2.1 3,-1.5 -5,-0.1 -1,-0.3 0.409 70.5 122.2 -97.4 1.7 50.5 10.4 26.9 46 46 A R T < S+ 0 0 13 -3,-1.9 -4,-0.1 1,-0.2 222,-0.1 -0.467 84.3 8.7 -63.0 133.8 49.5 12.5 24.0 47 47 A F T 3 S+ 0 0 3 109,-0.5 122,-0.5 1,-0.3 -1,-0.2 0.317 107.6 121.6 71.1 -2.5 48.3 10.3 21.0 48 48 A M S < S- 0 0 26 -3,-1.5 -1,-0.3 119,-0.1 3,-0.1 -0.545 73.9 -97.1 -87.6 150.1 48.4 7.4 23.4 49 49 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 -0.289 53.3 -94.0 -58.0 151.7 45.5 5.1 24.3 50 50 A P - 0 0 24 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.373 32.1-146.4 -70.1 149.2 43.8 6.0 27.6 51 51 A E - 0 0 91 -12,-0.4 -12,-2.3 -3,-0.1 3,-0.1 -0.937 34.7 -93.9-109.5 141.2 44.9 4.4 30.9 52 52 A P B -N 38 0D 91 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.185 49.5 -95.5 -51.1 141.7 42.2 3.8 33.6 53 53 A K - 0 0 65 -16,-1.2 3,-0.1 -15,-0.1 -14,-0.1 -0.427 38.4-124.5 -61.6 126.6 41.9 6.6 36.2 54 54 A R - 0 0 155 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.538 39.0 -89.3 -72.3 138.6 44.0 5.9 39.3 55 55 A P - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.133 43.6-145.4 -51.6 140.0 41.9 6.0 42.6 56 56 A W - 0 0 48 -42,-2.5 2,-0.3 2,-0.1 -40,-0.2 -0.606 10.2-119.4-100.9 165.7 41.7 9.4 44.3 57 57 A S S S+ 0 0 119 -2,-0.2 -42,-0.0 -42,-0.1 -43,-0.0 -0.820 70.6 5.6-105.1 150.4 41.6 10.2 48.0 58 58 A G S S- 0 0 50 -2,-0.3 -42,-0.8 2,-0.1 2,-0.7 -0.174 107.4 -37.5 75.9-171.2 38.8 12.0 49.8 59 59 A V E -b 16 0A 54 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.806 57.5-143.5 -96.4 114.0 35.4 13.1 48.3 60 60 A L E -b 17 0A 40 -44,-3.2 -42,-2.4 -2,-0.7 2,-0.6 -0.639 18.3-124.1 -74.6 127.7 35.7 14.3 44.7 61 61 A D E +b 18 0A 76 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.648 31.0 176.3 -75.8 118.5 33.4 17.1 43.9 62 62 A A + 0 0 0 -44,-3.0 -29,-2.8 -2,-0.6 -42,-0.4 -0.346 45.0 110.1-115.7 49.2 31.2 16.2 40.9 63 63 A T B S+m 33 0C 34 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.495 71.7 40.4-104.8 -7.7 29.1 19.3 40.8 64 64 A T S S- 0 0 83 -31,-0.5 -1,-0.1 -3,-0.2 -31,-0.0 -0.984 88.3 -93.9-140.7 153.2 30.3 21.1 37.6 65 65 A F - 0 0 37 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.209 42.5-133.1 -60.0 152.7 31.2 20.1 34.1 66 66 A Q - 0 0 65 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.355 40.8 -50.0 -98.7-179.0 34.9 19.5 33.5 67 67 A N - 0 0 29 28,-0.3 2,-0.3 -2,-0.1 -1,-0.2 -0.121 50.3-125.4 -49.2 145.3 37.2 20.6 30.7 68 68 A V E -o 92 0E 0 23,-2.1 25,-2.4 22,-0.1 3,-0.1 -0.756 38.5 -96.0 -89.7 139.7 36.3 20.2 27.0 69 69 A a E -o 93 0E 1 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.268 53.5 -85.4 -60.8 143.5 38.9 18.4 24.9 70 70 A Y S S+ 0 0 50 23,-0.6 83,-0.3 22,-0.1 2,-0.3 -0.274 73.2 140.8 -59.7 129.5 41.3 20.6 23.1 71 71 A Q - 0 0 3 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.978 52.2 -70.7-162.7 168.3 39.7 21.6 19.8 72 72 A Y - 0 0 91 52,-0.8 2,-0.5 -2,-0.3 52,-0.0 -0.471 39.5-143.5 -65.7 134.4 38.9 24.1 17.0 73 73 A V - 0 0 65 -2,-0.2 14,-0.1 14,-0.1 -1,-0.0 -0.934 24.2-116.4-103.5 124.1 36.5 26.9 17.9 74 74 A D + 0 0 20 -2,-0.5 13,-0.0 9,-0.1 9,-0.0 -0.252 35.7 171.5 -64.9 140.8 34.1 27.9 15.1 75 75 A T + 0 0 90 3,-0.1 -1,-0.1 4,-0.0 9,-0.0 0.363 46.3 101.1-133.7 0.5 34.4 31.5 13.7 76 76 A L S S+ 0 0 77 1,-0.3 -1,-0.0 7,-0.0 -2,-0.0 0.949 102.7 17.6 -58.8 -50.2 32.2 31.7 10.6 77 77 A Y S > S- 0 0 32 3,-0.1 3,-1.7 4,-0.0 2,-0.3 -0.710 81.8-160.7-124.6 80.6 29.4 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 -0.449 79.9 13.3 -67.6 120.6 30.8 34.9 15.7 79 79 A G T 3 S+ 0 0 67 1,-0.4 2,-0.3 -2,-0.3 -4,-0.0 0.144 92.5 130.5 102.8 -15.8 27.9 35.7 18.2 80 80 A F X> - 0 0 29 -3,-1.7 4,-2.6 1,-0.1 3,-0.8 -0.555 55.2-144.1 -76.4 128.0 25.3 33.7 16.1 81 81 A E H 3> S+ 0 0 127 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.863 94.3 64.7 -61.0 -37.4 23.4 31.3 18.3 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 351,-0.1 0.783 116.6 26.9 -59.7 -32.4 23.2 28.6 15.6 83 83 A T H X4 S+ 0 0 3 -3,-0.8 3,-1.8 -6,-0.3 4,-0.4 0.833 117.2 57.5 -94.3 -45.5 26.9 28.1 15.6 84 84 A E H >< S+ 0 0 76 -4,-2.6 3,-1.6 -7,-0.3 -2,-0.2 0.815 92.1 71.0 -58.8 -33.3 27.8 29.1 19.2 85 85 A M T 3< S+ 0 0 35 -4,-2.3 47,-0.3 1,-0.3 -1,-0.3 0.766 102.7 45.3 -55.3 -23.3 25.4 26.5 20.6 86 86 A W T < S+ 0 0 44 -3,-1.8 -1,-0.3 -5,-0.2 40,-0.2 0.558 94.2 101.7 -95.0 -9.5 28.0 23.9 19.4 87 87 A N S < S- 0 0 17 -3,-1.6 -14,-0.1 -4,-0.4 40,-0.0 -0.358 87.7 -77.6 -80.7 157.5 31.1 25.6 20.6 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.159 39.1-174.0 -53.0 138.1 33.1 24.7 23.8 89 89 A N + 0 0 50 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.187 67.4 48.2-121.1 13.5 31.4 25.9 27.0 90 90 A R S S- 0 0 113 1,-0.0 -22,-0.1 40,-0.0 -23,-0.1 -0.906 107.1 -65.2-138.0 166.7 34.2 25.0 29.5 91 91 A E - 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