==== 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 2XUJ . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,P.TAYLOR,P.MARCHOT . 1071 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 6.5 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 . 69 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 5 1 2 2 4 0 3 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 4 3 3 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 . 6 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 . 1 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 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.5 30.7 15.7 56.7 2 2 A G + 0 0 71 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.337 360.0 63.9 118.8 -73.0 28.2 15.5 58.0 3 3 A R S S+ 0 0 230 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.431 75.9 101.2-114.5 -7.0 26.0 18.4 56.7 4 4 A E S S- 0 0 58 1,-0.1 5,-0.1 2,-0.0 0, 0.0 -0.389 86.6 -83.4 -88.9 162.6 25.7 17.7 53.0 5 5 A D > - 0 0 46 1,-0.2 3,-2.1 -2,-0.1 4,-0.2 -0.476 36.8-146.3 -62.2 112.7 22.8 16.3 51.0 6 6 A P G > S+ 0 0 102 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.698 94.1 67.7 -57.1 -19.4 23.3 12.5 51.4 7 7 A Q G 3 S+ 0 0 45 1,-0.2 100,-0.1 3,-0.0 -2,-0.1 0.636 96.0 55.7 -76.2 -9.7 22.0 11.9 47.9 8 8 A L G < S+ 0 0 20 -3,-2.1 11,-2.6 11,-0.1 2,-0.7 0.409 84.6 90.5-105.7 -1.1 25.0 13.7 46.4 9 9 A L E < +A 18 0A 62 -3,-0.9 2,-0.4 -4,-0.2 9,-0.2 -0.886 50.1 161.6-104.4 113.8 27.8 11.5 47.9 10 10 A V E -A 17 0A 8 7,-2.0 7,-3.6 -2,-0.7 2,-0.6 -0.991 29.1-145.3-131.7 139.2 28.8 8.6 45.8 11 11 A R E +A 16 0A 158 -2,-0.4 5,-0.2 5,-0.3 2,-0.2 -0.931 21.6 175.7-101.8 120.0 31.9 6.4 45.8 12 12 A V E > -A 15 0A 7 3,-2.3 3,-1.3 -2,-0.6 174,-0.1 -0.547 52.0 -81.4-103.5-176.2 33.1 5.1 42.5 13 13 A R T 3 S+ 0 0 155 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.594 127.1 50.5 -66.6 -17.1 36.2 3.1 42.0 14 14 A G T 3 S- 0 0 11 1,-0.4 42,-2.8 41,-0.1 2,-0.3 0.521 124.5 -83.8 -94.7 -7.9 38.7 6.0 42.0 15 15 A G E < -A 12 0A 6 -3,-1.3 -3,-2.3 40,-0.2 -1,-0.4 -0.886 68.9 -21.8 136.0-166.1 37.3 7.4 45.2 16 16 A Q E -Ab 11 59A 77 42,-0.7 44,-2.8 -2,-0.3 2,-0.4 -0.490 47.7-161.7 -86.5 147.1 34.4 9.6 46.5 17 17 A L E -Ab 10 60A 1 -7,-3.6 -7,-2.0 42,-0.2 2,-0.5 -0.951 11.0-151.4-123.1 142.9 32.5 12.2 44.5 18 18 A R E -Ab 9 61A 71 42,-2.5 44,-2.6 -2,-0.4 -9,-0.2 -0.982 24.2-170.7-108.1 124.0 30.3 15.0 45.6 19 19 A G - 0 0 2 -11,-2.6 2,-0.4 -2,-0.5 13,-0.2 -0.307 17.0-114.9 -98.2-173.2 27.6 15.8 43.0 20 20 A I E -C 31 0B 56 11,-2.6 11,-2.3 42,-0.4 2,-0.6 -0.968 14.5-127.0-129.0 144.5 25.2 18.7 42.7 21 21 A R E -C 30 0B 119 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.812 34.4-167.0 -91.0 119.2 21.4 18.8 42.9 22 22 A L E -C 29 0B 31 7,-3.2 7,-2.5 -2,-0.6 2,-0.5 -0.816 19.8-117.4-112.4 147.6 19.9 20.5 39.8 23 23 A K E +C 28 0B 159 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.715 29.4 178.0 -79.7 125.4 16.5 21.9 39.0 24 24 A A E > -C 27 0B 4 3,-1.8 3,-1.3 -2,-0.5 113,-0.0 -0.800 45.2-102.7-109.5 165.6 14.7 20.3 36.1 25 25 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.0 0, 0.0 432,-0.0 0.913 121.7 41.8 -53.8 -47.3 11.2 21.6 35.2 26 26 A G T 3 S- 0 0 55 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.390 130.9 -68.3 -84.2 2.3 9.4 18.6 36.8 27 27 A G E < S-C 24 0B 20 -3,-1.3 -3,-1.8 2,-0.0 -1,-0.2 -0.850 75.0 -23.2 138.5-170.9 11.7 18.5 39.8 28 28 A P E -C 23 0B 41 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.305 43.9-173.6 -77.2 151.3 15.2 17.9 41.0 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-3.2 75,-0.2 2,-0.4 -0.954 23.7-119.8-130.6 158.0 18.0 15.7 39.5 30 30 A S E -CD 21 103B 0 73,-2.9 73,-2.2 -2,-0.3 2,-0.4 -0.773 27.0-168.7 -92.4 142.1 21.4 14.6 40.6 31 31 A A E -CD 20 102B 0 -11,-2.3 -11,-2.6 -2,-0.4 2,-0.5 -0.998 17.2-172.8-130.4 132.0 24.5 15.6 38.6 32 32 A F E - D 0 101B 0 69,-2.5 69,-1.8 -2,-0.4 3,-0.4 -0.886 25.4-177.9-119.1 94.0 28.1 14.3 38.9 33 33 A L E +n 63 0C 10 29,-2.9 31,-0.6 -2,-0.5 67,-0.2 -0.730 56.1 17.4 -99.1 141.3 29.9 16.5 36.4 34 34 A G E + 0 0 4 -2,-0.3 -1,-0.2 65,-0.3 66,-0.2 0.799 68.3 167.9 70.9 29.9 33.6 16.3 35.6 35 35 A I E - D 0 99B 0 64,-2.2 64,-3.2 -3,-0.4 2,-0.5 -0.633 35.5-130.0 -66.9 126.0 34.3 12.8 36.9 36 36 A P E + D 0 98B 7 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.740 32.7 173.5 -84.3 133.8 37.8 12.1 35.6 37 37 A F + 0 0 5 60,-1.5 16,-1.6 -2,-0.5 2,-0.3 0.522 61.8 39.5-111.9 -12.5 38.1 8.7 33.8 38 38 A A B S-O 52 0D 3 59,-1.2 15,-0.1 14,-0.3 59,-0.1 -0.920 89.1 -94.9-131.9 162.7 41.6 8.9 32.4 39 39 A E - 0 0 13 12,-3.0 12,-0.3 -2,-0.3 14,-0.1 -0.557 65.1 -87.2 -67.3 136.7 45.0 10.1 33.3 40 40 A P - 0 0 32 0, 0.0 2,-2.7 0, 0.0 55,-0.2 -0.283 41.1-135.4 -54.1 118.7 45.3 13.6 31.9 41 41 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.262 59.2 129.3 -76.3 57.6 46.7 12.8 28.4 42 42 A V > + 0 0 59 -2,-2.7 3,-2.2 4,-0.1 2,-0.0 -0.561 53.9 0.3-110.4 170.0 49.3 15.5 28.5 43 43 A G G > S+ 0 0 47 1,-0.3 3,-2.1 2,-0.2 0, 0.0 -0.315 136.5 7.0 59.0-127.2 53.1 15.8 27.8 44 44 A S G 3 S+ 0 0 76 1,-0.3 -1,-0.3 3,-0.1 227,-0.1 0.559 127.7 67.1 -62.1 -8.4 54.5 12.5 26.8 45 45 A R G X + 0 0 72 -3,-2.2 3,-1.6 -5,-0.1 -1,-0.3 0.450 69.4 119.8 -95.2 -2.2 51.0 11.1 26.7 46 46 A R T < S+ 0 0 10 -3,-2.1 -4,-0.1 1,-0.3 225,-0.1 -0.378 85.6 10.7 -63.4 141.7 49.8 13.2 23.7 47 47 A F T 3 S+ 0 0 1 109,-0.5 122,-0.4 1,-0.2 -1,-0.3 0.337 108.5 121.5 68.6 -5.6 48.7 11.0 20.8 48 48 A M S < S- 0 0 61 -3,-1.6 -1,-0.2 119,-0.1 3,-0.1 -0.551 73.8 -94.8 -91.9 149.6 48.9 8.1 23.2 49 49 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.200 54.3 -93.2 -51.9 150.2 46.0 5.8 24.2 50 50 A P - 0 0 22 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.426 34.3-144.7 -69.6 145.7 44.2 6.8 27.4 51 51 A E - 0 0 98 -12,-0.3 -12,-3.0 -3,-0.1 3,-0.1 -0.931 31.5 -97.6-105.4 135.5 45.4 5.3 30.7 52 52 A P B -O 38 0D 91 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.140 49.1 -96.0 -50.7 141.4 42.7 4.6 33.4 53 53 A K - 0 0 67 -16,-1.6 3,-0.1 -15,-0.1 -14,-0.1 -0.426 36.8-125.4 -66.0 126.2 42.5 7.3 36.0 54 54 A R - 0 0 152 -2,-0.2 -40,-0.1 1,-0.1 -1,-0.1 -0.480 38.9 -92.4 -71.4 141.0 44.5 6.6 39.1 55 55 A P - 0 0 88 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.153 42.3-149.6 -55.8 146.9 42.5 6.7 42.4 56 56 A W - 0 0 49 -42,-2.8 2,-0.3 2,-0.1 -40,-0.2 -0.622 8.1-123.1-108.4 170.9 42.3 10.1 44.2 57 57 A S + 0 0 115 -2,-0.2 2,-0.0 -42,-0.1 -42,-0.0 -0.820 68.6 18.6-116.1 163.9 41.9 10.9 47.9 58 58 A G S S- 0 0 48 -2,-0.3 -42,-0.7 2,-0.1 2,-0.7 -0.236 108.5 -44.1 70.3-169.6 39.3 12.9 49.7 59 59 A V E -b 16 0A 59 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.869 58.7-138.7 -99.2 112.4 36.0 13.8 48.1 60 60 A L E -b 17 0A 39 -44,-2.8 -42,-2.5 -2,-0.7 2,-0.5 -0.607 18.7-123.5 -70.9 125.5 36.4 14.9 44.5 61 61 A D E +b 18 0A 85 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.585 34.5 172.6 -70.4 121.4 34.2 17.9 43.7 62 62 A A + 0 0 0 -44,-2.6 -29,-2.9 -2,-0.5 -42,-0.4 -0.250 42.1 109.3-127.7 44.9 31.9 16.9 40.8 63 63 A T B S+n 33 0C 35 -44,-0.2 2,-0.3 -31,-0.2 -1,-0.1 0.417 71.5 43.8-103.1 -4.4 29.7 19.9 40.6 64 64 A T S S- 0 0 81 -31,-0.6 2,-0.2 -3,-0.2 -1,-0.0 -0.977 88.5 -90.2-144.1 155.9 30.8 21.6 37.4 65 65 A F - 0 0 35 -2,-0.3 3,-0.1 64,-0.1 -2,-0.1 -0.466 44.0-140.3 -65.6 129.0 31.7 20.8 33.8 66 66 A Q - 0 0 68 -2,-0.2 -32,-0.1 1,-0.2 63,-0.1 -0.113 41.9 -48.2 -82.4-176.7 35.4 20.1 33.5 67 67 A N - 0 0 21 28,-0.3 2,-0.4 1,-0.1 31,-0.2 -0.044 50.7-122.8 -59.9 156.4 37.7 21.3 30.5 68 68 A V B -p 92 0E 0 23,-3.1 25,-2.2 -3,-0.1 3,-0.1 -0.786 36.8 -98.8 -97.5 140.4 36.9 20.9 26.9 69 69 A a - 0 0 1 -2,-0.4 25,-0.2 57,-0.3 57,-0.1 -0.191 52.8 -84.3 -59.0 147.3 39.3 19.0 24.7 70 70 A Y S S+ 0 0 47 23,-0.4 83,-0.4 22,-0.1 2,-0.3 -0.324 71.9 146.2 -60.9 133.1 41.7 21.1 22.7 71 71 A Q - 0 0 4 -3,-0.1 2,-0.4 83,-0.1 54,-0.1 -0.998 52.9 -82.0-165.1 162.3 40.0 22.2 19.4 72 72 A Y - 0 0 107 52,-0.6 2,-0.5 -2,-0.3 52,-0.1 -0.598 43.1-140.8 -74.4 123.3 39.3 24.7 16.6 73 73 A V - 0 0 59 -2,-0.4 2,-0.4 14,-0.1 11,-0.1 -0.766 19.4-119.6 -91.0 126.0 36.8 27.3 17.7 74 74 A D + 0 0 13 -2,-0.5 13,-0.1 9,-0.1 3,-0.1 -0.488 37.1 168.5 -68.1 121.5 34.3 28.2 14.9 75 75 A T + 0 0 93 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.049 39.8 114.8-120.7 34.0 34.4 31.9 14.0 76 76 A L S S+ 0 0 61 1,-0.3 -1,-0.1 4,-0.1 -2,-0.0 0.945 89.9 20.8 -68.9 -49.3 32.3 31.8 10.9 77 77 A Y S > S- 0 0 34 3,-0.2 3,-2.4 -3,-0.1 7,-0.3 -0.749 85.9-145.3-125.2 83.5 29.5 34.0 12.3 78 78 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.185 85.2 5.1 -41.6 125.3 30.8 36.0 15.3 79 79 A G T 3 S+ 0 0 73 1,-0.2 2,-0.7 2,-0.1 3,-0.0 0.453 94.7 137.3 75.0 3.5 28.0 36.4 18.0 80 80 A F X> - 0 0 23 -3,-2.4 4,-3.0 1,-0.2 3,-1.5 -0.739 48.3-152.7 -92.8 113.2 25.6 34.1 16.1 81 81 A E H 3> S+ 0 0 139 -2,-0.7 4,-2.1 1,-0.3 -1,-0.2 0.811 92.0 67.8 -50.2 -32.0 23.8 31.7 18.3 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 354,-0.1 0.826 117.7 20.3 -62.7 -36.8 23.5 29.3 15.4 83 83 A T H X4 S+ 0 0 1 -3,-1.5 3,-2.1 -6,-0.3 4,-0.5 0.814 120.6 60.4 -95.6 -44.8 27.3 28.6 15.3 84 84 A E H >< S+ 0 0 81 -4,-3.0 3,-0.9 -7,-0.3 -3,-0.2 0.738 90.5 71.0 -59.7 -22.6 28.2 29.7 18.8 85 85 A M T 3< S+ 0 0 44 -4,-2.1 47,-0.3 -5,-0.3 -1,-0.3 0.625 100.8 46.4 -69.1 -9.6 25.9 27.1 20.4 86 86 A W T < S+ 0 0 58 -3,-2.1 -1,-0.2 -5,-0.1 40,-0.2 0.545 93.3 99.4-106.6 -13.5 28.4 24.4 19.2 87 87 A N S < S- 0 0 17 -3,-0.9 -14,-0.1 -4,-0.5 40,-0.0 -0.321 88.8 -75.1 -76.3 158.4 31.5 26.1 20.4 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.252 35.4-171.4 -58.1 139.3 33.3 25.3 23.7 89 89 A N S S+ 0 0 53 2,-0.1 2,-0.3 -3,-0.1 -24,-0.1 0.132 70.4 48.3-114.1 9.8 31.7 26.5 27.0 90 90 A R S S- 0 0 102 1,-0.0 -24,-0.1 0, 0.0 -23,-0.1 -0.908 105.3 -63.7-138.5 168.4 34.6 25.6 29.3 91 91 A E - 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