==== 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 2XUF . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,P.TAYLOR,P.MARCHOT . 1065 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 682 64.0 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 . 66 6.2 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 . 59 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 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 6 2 0 5 2 1 2 5 0 3 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 . 4 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 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 3 A R 0 0 266 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.2 26.6 18.2 56.8 2 4 A E - 0 0 69 1,-0.2 5,-0.1 2,-0.0 0, 0.0 -0.353 360.0 -74.6 -96.0 163.3 25.8 17.5 53.1 3 5 A D > - 0 0 46 1,-0.2 3,-1.7 -2,-0.1 -1,-0.2 -0.406 41.6-146.7 -54.5 116.3 22.9 16.1 51.2 4 6 A P G > S+ 0 0 110 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.652 94.6 64.8 -64.0 -13.6 23.3 12.3 51.9 5 7 A Q G 3 S+ 0 0 46 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.526 95.4 57.5 -86.7 -6.4 22.0 11.6 48.4 6 8 A L G < S+ 0 0 18 -3,-1.7 11,-2.8 11,-0.1 2,-0.6 0.317 82.0 92.6-110.5 7.0 24.9 13.3 46.7 7 9 A L E < +A 16 0A 58 -3,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.925 50.1 162.4-107.2 118.1 27.8 11.3 48.1 8 10 A V E -A 15 0A 10 7,-2.0 7,-3.7 -2,-0.6 2,-0.4 -0.990 27.7-140.7-138.5 144.0 28.8 8.3 46.0 9 11 A R E +A 14 0A 158 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.880 20.5 176.0-105.6 135.4 31.9 6.0 45.8 10 12 A V E > -A 13 0A 7 3,-3.1 3,-1.5 -2,-0.4 174,-0.1 -0.715 50.0 -86.4-122.7-176.1 33.5 4.6 42.6 11 13 A R T 3 S+ 0 0 163 1,-0.4 3,-0.1 -2,-0.2 -2,-0.0 0.670 130.4 59.6 -49.2 -43.3 36.6 2.5 41.9 12 14 A G T 3 S- 0 0 10 1,-0.1 42,-1.7 22,-0.1 -1,-0.4 0.357 117.2 -92.5 111.3-105.1 37.8 5.5 41.9 13 15 A G E < -A 10 0A 5 -3,-1.5 -3,-3.1 40,-0.2 2,-0.4 -0.940 65.5 -27.6 147.2-161.4 37.2 7.1 45.3 14 16 A Q E -Ab 9 57A 82 42,-1.0 44,-3.0 -2,-0.3 2,-0.4 -0.671 52.1-162.4 -91.8 134.7 34.6 9.4 46.7 15 17 A L E -Ab 8 58A 0 -7,-3.7 -7,-2.0 -2,-0.4 2,-0.5 -0.902 9.1-157.4-112.3 140.3 32.4 11.7 44.6 16 18 A R E -Ab 7 59A 71 42,-2.3 44,-3.0 -2,-0.4 -9,-0.2 -0.984 22.0-174.4-112.1 121.1 30.4 14.7 45.7 17 19 A G - 0 0 4 -11,-2.8 2,-0.4 -2,-0.5 13,-0.2 -0.369 18.9-112.6-102.9-175.1 27.6 15.6 43.2 18 20 A I E -C 29 0B 58 11,-2.8 11,-2.2 42,-0.4 2,-0.7 -0.956 14.8-126.2-127.8 138.5 25.1 18.4 42.9 19 21 A R E -C 28 0B 138 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.745 36.8-165.8 -80.0 111.3 21.3 18.5 43.2 20 22 A L E -C 27 0B 30 7,-2.8 7,-2.3 -2,-0.7 2,-0.4 -0.724 17.1-119.0-101.6 155.7 20.1 20.1 40.0 21 23 A K E +C 26 0B 166 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.775 29.2 177.9 -92.7 129.3 16.7 21.5 39.2 22 24 A A E > -C 25 0B 3 3,-1.9 3,-1.7 -2,-0.4 432,-0.0 -0.899 44.6-102.5-119.8 160.5 14.6 20.1 36.3 23 25 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 431,-0.0 0.876 122.4 39.3 -48.8 -46.9 11.1 21.3 35.4 24 26 A G T 3 S- 0 0 58 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.478 131.1 -68.1 -84.7 -4.2 9.3 18.3 37.0 25 27 A G E < S-C 22 0B 20 -3,-1.7 -3,-1.9 2,-0.0 -1,-0.2 -0.928 74.0 -24.7 146.9-165.4 11.7 18.2 40.0 26 28 A P E -C 21 0B 35 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.444 41.9-172.5 -85.6 151.0 15.2 17.5 41.2 27 29 A V E -CD 20 102B 0 -7,-2.3 -7,-2.8 75,-0.2 2,-0.4 -0.922 24.1-120.6-127.3 157.4 18.0 15.3 39.6 28 30 A S E -CD 19 101B 0 73,-2.7 73,-2.6 -2,-0.3 2,-0.4 -0.837 28.7-169.0 -94.5 137.5 21.4 14.2 40.8 29 31 A A E -CD 18 100B 0 -11,-2.2 -11,-2.8 -2,-0.4 2,-0.6 -0.994 16.7-171.3-129.9 134.9 24.4 15.2 38.7 30 32 A F E - D 0 99B 0 69,-3.0 69,-2.5 -2,-0.4 2,-0.4 -0.941 24.3-175.2-121.3 101.5 28.0 14.0 39.0 31 33 A L E +m 61 0C 10 29,-2.9 31,-0.6 -2,-0.6 67,-0.2 -0.827 53.5 14.3-110.0 138.5 30.0 16.1 36.6 32 34 A G E + 0 0 3 -2,-0.4 -1,-0.2 65,-0.3 66,-0.2 0.871 68.2 170.5 73.4 40.8 33.6 16.0 35.6 33 35 A I E - D 0 97B 0 64,-2.9 64,-2.5 -3,-0.4 2,-0.2 -0.728 34.3-126.4 -81.1 123.7 34.5 12.5 37.0 34 36 A P E + D 0 96B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.533 33.0 173.3 -73.3 135.3 37.9 11.7 35.7 35 37 A F + 0 0 5 60,-1.9 16,-1.3 -2,-0.2 2,-0.3 0.493 63.0 31.9-117.1 -5.5 38.1 8.3 33.8 36 38 A A B S-N 50 0D 4 59,-1.0 -1,-0.1 14,-0.3 15,-0.1 -0.952 89.2 -91.0-140.2 161.9 41.7 8.4 32.5 37 39 A E - 0 0 19 12,-2.7 12,-0.3 -2,-0.3 14,-0.1 -0.528 67.5 -85.5 -64.5 138.0 45.1 9.8 33.4 38 40 A P - 0 0 36 0, 0.0 2,-2.7 0, 0.0 55,-0.2 -0.272 40.2-133.1 -49.7 121.6 45.4 13.3 31.8 39 41 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.216 62.1 126.4 -79.7 60.3 46.6 12.4 28.3 40 42 A V > + 0 0 62 -2,-2.7 3,-1.6 3,-0.1 2,-0.2 -0.638 53.1 1.9-116.3 163.4 49.3 15.1 28.4 41 43 A G G > S+ 0 0 48 1,-0.3 3,-1.7 -2,-0.2 0, 0.0 -0.455 134.6 5.7 71.2-127.5 53.1 15.5 27.8 42 44 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.3 -2,-0.2 226,-0.1 0.567 129.7 67.7 -62.1 -7.1 54.7 12.2 26.8 43 45 A R G X + 0 0 70 -3,-1.6 3,-1.5 -5,-0.1 -1,-0.3 0.526 66.8 116.9-102.1 -4.6 51.2 10.9 26.7 44 46 A R T < S+ 0 0 12 -3,-1.7 -4,-0.1 1,-0.2 224,-0.1 -0.381 85.0 15.2 -64.0 140.2 49.8 12.9 23.7 45 47 A F T 3 S+ 0 0 1 109,-0.5 122,-0.4 1,-0.3 -1,-0.2 0.275 105.0 117.4 74.0 -8.4 48.7 10.6 20.8 46 48 A M S < S- 0 0 58 -3,-1.5 -1,-0.3 119,-0.1 3,-0.1 -0.536 76.3 -92.9 -91.0 152.6 48.9 7.6 23.2 47 49 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.253 55.5 -95.2 -53.7 150.1 46.0 5.2 24.2 48 50 A P - 0 0 23 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.427 32.5-143.7 -72.1 148.8 44.3 6.4 27.4 49 51 A E - 0 0 95 -12,-0.3 -12,-2.7 -2,-0.1 3,-0.1 -0.920 32.9 -95.8-108.4 138.2 45.5 4.8 30.7 50 52 A P B -N 36 0D 87 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.183 48.9 -96.9 -51.8 140.4 42.8 4.2 33.4 51 53 A K - 0 0 71 -16,-1.3 -14,-0.1 -15,-0.1 3,-0.1 -0.391 37.7-122.7 -61.9 130.0 42.6 7.0 36.1 52 54 A R - 0 0 142 -2,-0.1 -40,-0.1 1,-0.1 -1,-0.1 -0.457 37.7 -92.7 -71.6 144.7 44.6 6.3 39.2 53 55 A P - 0 0 86 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.232 42.5-147.4 -59.4 149.0 42.5 6.3 42.5 54 56 A W - 0 0 48 -42,-1.7 2,-0.3 2,-0.1 -40,-0.2 -0.681 9.1-119.6-110.4 165.5 42.4 9.6 44.4 55 57 A S S S+ 0 0 118 -2,-0.2 -42,-0.0 -42,-0.1 2,-0.0 -0.803 70.9 6.3-105.5 154.5 42.1 10.4 48.1 56 58 A G S S- 0 0 46 -2,-0.3 -42,-1.0 1,-0.1 2,-0.8 -0.212 108.0 -36.1 73.0-165.2 39.3 12.4 49.7 57 59 A V E -b 14 0A 59 -44,-0.1 2,-0.3 -42,-0.1 -42,-0.2 -0.831 56.2-144.4-102.0 110.2 36.1 13.5 48.1 58 60 A L E -b 15 0A 41 -44,-3.0 -42,-2.3 -2,-0.8 2,-0.6 -0.574 21.7-121.8 -68.9 130.5 36.5 14.6 44.5 59 61 A D E +b 16 0A 79 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.1 -0.686 33.7 174.9 -76.7 119.8 34.2 17.5 43.7 60 62 A A + 0 0 0 -44,-3.0 -29,-2.9 -2,-0.6 -42,-0.4 -0.359 44.8 106.8-122.3 51.2 31.9 16.5 40.8 61 63 A T B S+m 31 0C 34 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.395 71.8 47.6-111.2 -2.8 29.6 19.5 40.7 62 64 A T S S- 0 0 80 -31,-0.6 -1,-0.1 -3,-0.2 0, 0.0 -0.994 86.6 -98.1-140.6 149.0 30.9 21.3 37.5 63 65 A F - 0 0 36 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.297 43.1-134.4 -59.9 147.7 31.7 20.4 34.0 64 66 A Q - 0 0 65 1,-0.2 63,-0.1 30,-0.1 30,-0.1 -0.306 39.2 -50.9 -96.2-176.7 35.3 19.8 33.3 65 67 A N - 0 0 28 28,-0.3 2,-0.3 -2,-0.1 -1,-0.2 -0.096 50.3-124.6 -55.2 151.8 37.6 21.0 30.5 66 68 A V E -o 90 0E 0 23,-2.4 25,-2.4 -3,-0.1 59,-0.1 -0.739 37.2 -97.9 -93.0 143.9 36.8 20.5 26.9 67 69 A a E -o 91 0E 1 57,-0.4 25,-0.2 -2,-0.3 57,-0.1 -0.376 52.5 -85.7 -66.6 142.4 39.3 18.7 24.7 68 70 A Y S S+ 0 0 50 23,-0.7 83,-0.4 22,-0.1 2,-0.3 -0.192 72.4 141.4 -51.8 132.5 41.6 20.9 22.7 69 71 A Q - 0 0 3 -3,-0.1 54,-0.1 81,-0.1 2,-0.1 -0.996 53.3 -69.7-166.9 164.1 40.0 21.9 19.4 70 72 A Y - 0 0 97 52,-0.7 2,-0.5 -2,-0.3 52,-0.0 -0.415 42.8-144.5 -61.6 132.7 39.1 24.3 16.7 71 73 A V - 0 0 64 -2,-0.1 2,-0.3 14,-0.1 14,-0.1 -0.901 21.1-116.9-103.7 131.4 36.8 27.1 17.7 72 74 A D + 0 0 22 -2,-0.5 13,-0.1 9,-0.2 9,-0.0 -0.557 39.6 163.8 -80.2 129.6 34.3 28.3 15.1 73 75 A T + 0 0 101 -2,-0.3 -1,-0.1 3,-0.1 9,-0.0 0.534 44.0 103.5-117.3 -17.0 34.6 31.9 14.0 74 76 A L S S+ 0 0 81 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.760 97.5 23.4 -41.8 -40.1 32.6 32.1 10.6 75 77 A Y S > S- 0 0 30 3,-0.1 3,-1.9 4,-0.0 6,-0.3 -0.617 84.5-151.9-134.6 80.0 29.6 33.8 12.4 76 78 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.222 80.1 6.0 -54.6 123.0 30.7 35.7 15.6 77 79 A G T 3 S+ 0 0 71 1,-0.3 2,-0.6 2,-0.1 -4,-0.0 0.353 94.1 136.0 88.8 -4.7 28.0 36.0 18.3 78 80 A F X> - 0 0 27 -3,-1.9 4,-2.7 1,-0.2 3,-1.6 -0.676 51.0-150.0 -85.4 117.5 25.6 33.8 16.3 79 81 A E H 3> S+ 0 0 129 -2,-0.6 4,-2.3 1,-0.3 5,-0.2 0.850 92.4 70.7 -54.0 -37.0 23.8 31.3 18.4 80 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 353,-0.1 0.783 115.9 21.8 -51.1 -33.6 23.6 28.9 15.3 81 83 A T H X> S+ 0 0 5 -3,-1.6 3,-2.0 -6,-0.3 4,-0.6 0.781 117.4 61.4-102.6 -39.8 27.4 28.3 15.6 82 84 A E H >< S+ 0 0 81 -4,-2.7 3,-1.1 1,-0.3 -3,-0.2 0.828 90.9 69.1 -64.2 -29.3 28.2 29.2 19.3 83 85 A M T 3< S+ 0 0 37 -4,-2.3 47,-0.3 1,-0.3 -1,-0.3 0.695 104.7 43.7 -63.1 -14.8 25.9 26.5 20.6 84 86 A W T <4 S+ 0 0 63 -3,-2.0 40,-0.3 -5,-0.2 -1,-0.3 0.540 95.1 98.7-103.1 -11.9 28.4 24.0 19.3 85 87 A N S << S- 0 0 17 -3,-1.1 -14,-0.1 -4,-0.6 40,-0.1 -0.313 91.0 -77.9 -72.4 158.2 31.6 25.8 20.5 86 88 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.337 36.2-168.2 -60.6 137.0 33.4 24.8 23.7 87 89 A N S S+ 0 0 53 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.183 70.9 45.9-111.0 11.6 31.7 26.1 26.9 88 90 A R S S- 0 0 110 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.901 105.6 -64.6-138.2 170.9 34.6 25.3 29.2 89 91 A E - 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