==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JAN-07 2JF0 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR F.EKSTROM,C.ASTOT,Y.P.PANG . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35652.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 715 66.9 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 . 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 . 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 . 76 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 2 4 4 1 3 4 0 2 0 2 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 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 . 3 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 0 160 0, 0.0 2,-1.1 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -55.3 30.3 13.9 53.9 2 2 A G + 0 0 68 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.565 360.0 22.3 85.2 -96.2 27.8 15.3 56.4 3 3 A R S S+ 0 0 241 -2,-1.1 -1,-0.2 2,-0.1 0, 0.0 0.485 88.9 110.7-100.2 -10.4 25.2 17.7 55.2 4 4 A E S S- 0 0 56 -3,-0.5 5,-0.1 1,-0.1 -2,-0.0 -0.147 82.6 -80.8 -69.6 165.1 24.9 17.0 51.5 5 5 A D > - 0 0 42 1,-0.2 3,-2.7 3,-0.1 4,-0.2 -0.552 34.5-141.4 -72.4 115.3 21.9 15.4 49.8 6 6 A P G > S+ 0 0 103 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.643 98.3 61.2 -49.8 -22.8 22.2 11.6 50.2 7 7 A Q G 3 S+ 0 0 50 1,-0.2 100,-0.1 3,-0.0 13,-0.1 0.535 97.7 57.1 -85.6 -7.9 20.9 11.0 46.7 8 8 A L G < S+ 0 0 18 -3,-2.7 11,-3.0 11,-0.1 2,-0.7 0.356 85.6 91.3-103.7 4.3 23.8 12.8 45.1 9 9 A L E < +A 18 0A 25 -3,-0.6 2,-0.4 -4,-0.2 9,-0.2 -0.886 51.1 159.3-106.6 108.5 26.4 10.6 46.7 10 10 A V E -A 17 0A 7 7,-2.5 7,-3.3 -2,-0.7 2,-0.5 -0.964 29.9-141.2-127.6 146.3 27.3 7.7 44.5 11 11 A R E +A 16 0A 153 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.921 20.0 179.7-105.7 133.0 30.4 5.5 44.4 12 12 A V E > -A 15 0A 6 3,-3.5 3,-2.6 -2,-0.5 174,-0.1 -0.724 49.3 -86.3-117.3 176.5 31.9 4.3 41.1 13 13 A R T 3 S+ 0 0 152 1,-0.3 3,-0.1 -2,-0.2 169,-0.0 0.837 128.4 48.8 -53.4 -36.4 34.9 2.0 40.5 14 14 A G T 3 S- 0 0 7 1,-0.2 42,-3.5 22,-0.1 2,-0.3 0.443 123.4 -89.4 -84.7 -2.3 37.2 5.0 40.6 15 15 A G E < -A 12 0A 4 -3,-2.6 -3,-3.5 40,-0.2 2,-0.3 -0.924 66.1 -12.4 133.9-157.3 35.8 6.4 43.8 16 16 A Q E -Ab 11 59A 57 42,-1.0 44,-3.5 -2,-0.3 2,-0.4 -0.664 48.3-165.4 -98.2 140.9 33.2 8.7 45.2 17 17 A L E -Ab 10 60A 1 -7,-3.3 -7,-2.5 -2,-0.3 2,-0.6 -0.970 14.1-157.6-127.9 136.5 31.1 11.2 43.3 18 18 A R E -Ab 9 61A 62 42,-2.9 44,-3.4 -2,-0.4 -9,-0.2 -0.962 23.5-175.2-108.4 113.1 28.9 14.0 44.4 19 19 A G - 0 0 2 -11,-3.0 2,-0.4 -2,-0.6 13,-0.3 -0.191 21.1-108.9 -89.4-168.1 26.4 14.8 41.6 20 20 A I E -C 31 0B 53 11,-3.6 11,-3.5 42,-0.4 2,-0.7 -0.950 13.7-124.0-130.0 145.2 23.8 17.6 41.5 21 21 A R E -C 30 0B 121 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.802 38.1-165.5 -84.1 116.0 20.1 17.7 41.8 22 22 A L E -C 29 0B 24 7,-3.4 7,-2.6 -2,-0.7 2,-0.5 -0.864 17.8-121.0-107.4 145.2 18.9 19.4 38.6 23 23 A K E +C 28 0B 155 -2,-0.4 113,-0.1 5,-0.2 3,-0.0 -0.707 29.8 177.2 -81.4 125.0 15.5 20.9 37.9 24 24 A A E > -C 27 0B 7 3,-2.2 3,-2.0 -2,-0.5 430,-0.0 -0.882 45.9-103.8-112.7 158.7 13.7 19.4 35.0 25 25 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 429,-0.1 0.891 122.2 42.7 -45.7 -47.6 10.1 20.7 34.3 26 26 A G T 3 S- 0 0 55 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.413 130.6 -65.9 -84.8 0.7 8.5 17.6 35.8 27 27 A G E < S-C 24 0B 22 -3,-2.0 -3,-2.2 2,-0.0 -1,-0.2 -0.874 74.0 -29.7 143.2-171.5 10.8 17.4 38.8 28 28 A P E -C 23 0B 29 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.372 43.8-168.2 -80.0 153.0 14.4 16.9 39.9 29 29 A V E -CD 22 104B 0 -7,-2.6 -7,-3.4 75,-0.2 2,-0.6 -0.935 23.9-120.7-126.2 156.3 17.0 14.7 38.2 30 30 A S E -CD 21 103B 0 73,-3.1 73,-2.4 -2,-0.3 2,-0.5 -0.868 29.6-169.7 -93.3 126.1 20.3 13.6 39.5 31 31 A A E -CD 20 102B 0 -11,-3.5 -11,-3.6 -2,-0.6 2,-0.6 -0.980 13.7-172.9-114.3 128.5 23.2 14.7 37.3 32 32 A F E - D 0 101B 0 69,-3.6 69,-2.6 -2,-0.5 3,-0.4 -0.929 23.5-177.3-111.7 102.0 26.7 13.4 37.8 33 33 A L E +n 63 0C 8 29,-3.5 31,-0.6 -2,-0.6 67,-0.2 -0.793 53.7 17.4-109.9 145.2 28.6 15.5 35.4 34 34 A G E + 0 0 2 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.857 69.6 169.4 65.9 35.6 32.3 15.4 34.5 35 35 A I E - D 0 99B 0 64,-3.0 64,-2.5 -3,-0.4 2,-0.2 -0.706 35.7-127.1 -74.8 123.0 32.9 11.9 35.9 36 36 A P E + D 0 98B 1 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.559 35.0 171.4 -73.2 137.1 36.4 11.0 34.6 37 37 A F + 0 0 2 60,-2.0 16,-1.2 -2,-0.2 2,-0.3 0.402 65.1 34.3-119.8 -3.6 36.5 7.7 32.8 38 38 A A B S-O 52 0D 2 59,-1.0 -1,-0.2 14,-0.3 15,-0.1 -0.963 89.4 -95.7-145.2 157.1 40.0 7.9 31.5 39 39 A E - 0 0 22 12,-3.1 12,-0.3 -2,-0.3 14,-0.1 -0.520 66.6 -85.0 -66.6 142.4 43.4 9.3 32.5 40 40 A P - 0 0 25 0, 0.0 2,-2.4 0, 0.0 55,-0.2 -0.308 38.2-133.0 -50.3 124.3 43.7 12.7 30.9 41 41 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.205 61.8 134.8 -78.6 57.6 44.9 11.8 27.5 42 42 A V > - 0 0 61 -2,-2.4 3,-3.3 3,-0.1 4,-0.2 -0.425 54.3 -7.3-100.3 171.2 47.6 14.6 27.8 43 43 A G G > S+ 0 0 46 1,-0.3 3,-1.9 2,-0.2 0, 0.0 -0.170 138.5 6.7 50.0-123.5 51.3 14.9 27.1 44 44 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.1 224,-0.1 0.591 128.4 65.2 -64.8 -9.8 52.7 11.5 26.1 45 45 A R G X S+ 0 0 66 -3,-3.3 3,-1.6 -5,-0.1 -1,-0.3 0.502 71.0 117.2 -95.1 -4.0 49.1 10.2 26.1 46 46 A R T < S+ 0 0 11 -3,-1.9 -4,-0.1 1,-0.3 222,-0.1 -0.471 87.7 10.2 -64.9 135.8 47.9 12.3 23.2 47 47 A F T 3 S+ 0 0 1 109,-0.6 122,-0.5 1,-0.3 -1,-0.3 0.242 107.8 118.7 75.0 -9.8 46.9 10.1 20.3 48 48 A M S < S- 0 0 36 -3,-1.6 -1,-0.3 119,-0.1 3,-0.1 -0.611 77.6 -93.8 -87.4 147.0 47.2 7.1 22.6 49 49 A P - 0 0 45 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.117 55.8 -91.5 -47.0 152.8 44.3 4.9 23.5 50 50 A P - 0 0 20 0, 0.0 -4,-0.0 0, 0.0 3,-0.0 -0.489 34.8-145.9 -73.2 141.2 42.5 6.0 26.6 51 51 A E - 0 0 106 -12,-0.3 -12,-3.1 -2,-0.2 3,-0.1 -0.889 34.6 -96.3-101.3 137.8 43.8 4.4 29.8 52 52 A P B -O 38 0D 83 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.157 48.2 -92.6 -53.2 147.4 41.1 3.9 32.4 53 53 A K - 0 0 56 -16,-1.2 -14,-0.1 -15,-0.1 3,-0.1 -0.456 39.9-125.6 -65.7 127.6 40.7 6.6 35.0 54 54 A R - 0 0 146 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.509 39.0 -91.2 -69.4 138.4 42.8 5.8 38.1 55 55 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.108 43.8-146.9 -50.7 149.5 40.8 5.9 41.3 56 56 A W - 0 0 43 -42,-3.5 2,-0.4 2,-0.1 -40,-0.2 -0.727 11.8-116.7-113.9 167.3 40.7 9.2 43.0 57 57 A S S S+ 0 0 118 -2,-0.3 -42,-0.0 -42,-0.1 -43,-0.0 -0.820 72.4 3.6-106.5 149.2 40.5 10.0 46.7 58 58 A G S S- 0 0 49 -2,-0.4 -42,-1.0 1,-0.1 2,-0.8 -0.246 110.4 -32.7 75.5-167.2 37.6 11.7 48.4 59 59 A V E -b 16 0A 40 -44,-0.1 2,-0.3 -42,-0.1 -42,-0.2 -0.799 56.2-142.5-100.0 110.8 34.5 12.8 46.7 60 60 A L E -b 17 0A 36 -44,-3.5 -42,-2.9 -2,-0.8 2,-0.7 -0.532 21.9-124.5 -63.9 126.5 34.9 13.9 43.2 61 61 A D E +b 18 0A 76 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.2 -0.706 34.6 173.7 -76.4 115.2 32.6 16.8 42.5 62 62 A A + 0 0 0 -44,-3.4 -29,-3.5 -2,-0.7 -42,-0.4 -0.316 45.0 107.0-117.4 46.6 30.5 15.7 39.6 63 63 A T B S+n 33 0C 30 -44,-0.2 2,-0.3 -31,-0.2 -1,-0.1 0.515 73.0 49.7-103.9 -9.9 28.2 18.8 39.5 64 64 A T S S- 0 0 72 -31,-0.6 2,-0.1 -3,-0.2 -1,-0.0 -0.945 88.1 -98.5-132.9 153.6 29.5 20.5 36.5 65 65 A F - 0 0 31 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.428 42.5-135.2 -64.3 141.5 30.3 19.6 32.9 66 66 A Q - 0 0 59 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.207 40.7 -53.2 -86.4-177.2 33.9 19.0 32.4 67 67 A N - 0 0 25 28,-0.3 2,-0.4 1,-0.1 31,-0.3 -0.138 50.4-121.1 -58.5 153.1 36.1 20.2 29.7 68 68 A V E -p 92 0E 0 23,-2.5 25,-2.7 -3,-0.1 3,-0.1 -0.751 38.8 -97.5 -91.2 141.9 35.3 19.8 26.1 69 69 A a E -p 93 0E 1 -2,-0.4 25,-0.2 57,-0.3 57,-0.1 -0.303 54.3 -84.4 -61.7 145.5 37.8 17.9 24.0 70 70 A Y S S+ 0 0 46 23,-0.6 83,-0.4 22,-0.1 2,-0.3 -0.240 72.3 152.5 -57.9 132.7 40.2 20.1 22.1 71 71 A Q - 0 0 1 -3,-0.1 54,-0.1 81,-0.1 2,-0.1 -0.996 51.6 -84.7-161.3 155.6 38.4 21.0 18.9 72 72 A Y - 0 0 97 52,-0.8 2,-0.6 -2,-0.3 52,-0.0 -0.429 43.5-141.0 -57.8 129.6 37.9 23.4 16.1 73 73 A V - 0 0 53 -2,-0.1 2,-0.2 14,-0.1 14,-0.1 -0.913 16.6-123.7-102.9 118.6 35.4 26.0 17.2 74 74 A D + 0 0 19 -2,-0.6 13,-0.1 9,-0.1 12,-0.1 -0.410 37.5 165.6 -62.5 122.2 33.0 26.9 14.4 75 75 A T + 0 0 88 -2,-0.2 -1,-0.1 3,-0.1 9,-0.0 0.057 37.8 115.6-128.2 23.3 33.1 30.7 13.8 76 76 A L S S+ 0 0 71 1,-0.3 -1,-0.1 4,-0.0 -2,-0.0 0.951 93.9 19.8 -55.4 -51.1 31.2 30.8 10.5 77 77 A Y S > S- 0 0 30 3,-0.1 3,-1.9 -3,-0.0 7,-0.3 -0.739 89.2-149.9-124.8 83.4 28.4 32.8 12.0 78 78 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.241 80.4 5.4 -56.7 130.2 29.7 34.4 15.2 79 79 A G T 3 S+ 0 0 67 1,-0.3 2,-0.4 2,-0.1 -4,-0.0 0.278 94.9 133.7 81.7 -11.0 27.0 34.9 17.9 80 80 A F X> - 0 0 28 -3,-1.9 4,-3.1 1,-0.1 3,-1.3 -0.623 54.5-144.5 -75.4 122.9 24.5 33.0 15.7 81 81 A E H 3> S+ 0 0 121 -2,-0.4 4,-2.9 1,-0.3 5,-0.2 0.847 94.2 66.8 -56.2 -39.3 22.6 30.5 17.8 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.771 117.6 24.8 -57.5 -30.0 22.4 28.0 15.0 83 83 A T H X4 S+ 0 0 0 -3,-1.3 3,-1.8 -6,-0.3 4,-0.5 0.798 118.3 59.4 -98.7 -43.7 26.2 27.5 15.1 84 84 A E H >< S+ 0 0 70 -4,-3.1 3,-2.6 -7,-0.3 -2,-0.2 0.891 92.9 67.4 -51.2 -43.5 26.8 28.5 18.7 85 85 A M T 3< S+ 0 0 31 -4,-2.9 47,-0.4 1,-0.3 -1,-0.3 0.694 104.4 45.6 -57.4 -17.5 24.6 25.8 20.1 86 86 A W T < S+ 0 0 24 -3,-1.8 -1,-0.3 -5,-0.2 40,-0.3 0.506 93.8 99.6-100.4 -9.9 27.1 23.3 18.8 87 87 A N S < S- 0 0 15 -3,-2.6 -14,-0.1 -4,-0.5 40,-0.1 -0.427 90.4 -76.5 -81.6 155.5 30.2 25.0 20.0 88 88 A P - 0 0 28 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.183 37.6-170.6 -47.3 131.8 32.1 24.0 23.2 89 89 A N S S+ 0 0 52 2,-0.1 2,-0.3 -3,-0.1 -24,-0.1 0.165 71.2 48.5-111.6 11.8 30.3 25.3 26.2 90 90 A R S S- 0 0 99 3,-0.0 -23,-0.1 1,-0.0 -24,-0.1 -0.912 106.6 -66.1-140.0 167.0 33.1 24.4 28.5 91 91 A E - 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0 0 6 -3,-1.9 -3,-0.1 -6,-0.3 170,-0.0 -0.551 60.2-138.9 -79.2 132.7 33.6 11.9 -7.5 365 371 A S > - 0 0 46 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.140 38.9 -95.1 -64.4 176.7 35.3 11.6 -10.9 366 372 A D H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.891 128.3 49.6 -63.9 -39.3 33.9 13.9 -13.6 367 373 A L H > S+ 0 0 32 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.973 111.8 46.5 -63.3 -55.7 31.7 11.1 -14.8 368 374 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.889 112.7 50.3 -48.7 -47.8 30.3 10.3 -11.3 369 375 A A H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.888 110.2 50.5 -65.3 -37.9 29.7 14.0 -10.7 370 376 A E H X S+ 0 0 48 -4,-2.2 4,-3.6 2,-0.2 -2,-0.2 0.934 108.6 51.6 -64.8 -43.4 27.9 14.2 -13.9 371 377 A A H X S+ 0 0 3 -4,-3.0 4,-4.0 2,-0.2 5,-0.2 0.953 110.5 48.9 -54.2 -51.9 25.8 11.2 -13.0 372 378 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.924 115.1 44.4 -52.0 -48.2 25.0 12.9 -9.7 373 379 A V H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.894 114.4 49.4 -68.3 -40.3 24.1 16.1 -11.6 374 380 A L H < S+ 0 0 11 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.925 113.8 46.6 -58.8 -48.3 22.2 14.2 -14.2 375 381 A H H < S+ 0 0 55 -4,-4.0 -2,-0.2 -5,-0.2 -1,-0.2 0.850 118.2 39.6 -66.2 -35.6 20.3 12.3 -11.5 376 382 A Y H < S+ 0 0 17 -4,-2.4 2,-0.2 -5,-0.2 -1,-0.2 0.604 88.6 103.6 -98.3 -12.3 19.5 15.4 -9.4 377 383 A T S < S- 0 0 0 -4,-1.8 2,-1.0 -5,-0.2 681,-0.1 -0.529 70.8-136.2 -65.9 132.6 18.7 17.8 -12.1 378 384 A D > - 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