==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-99 1QIH . COMPND 2 MOLECULE: PROTEIN (ACETYLCHOLINESTERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR G.KRYGER,M.WEIK,R.B.G.RAVELLI . 532 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.6 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 31 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 1 0 3 2 1 1 3 0 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 2 1 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 PARALLEL BRIDGES PER LADDER . 2 0 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 0 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 4 A S > 0 0 118 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.7 -12.6 88.2 35.9 2 5 A E T 3 + 0 0 59 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.794 360.0 51.5 -57.8 -30.2 -9.2 87.2 37.4 3 6 A L T 3 S+ 0 0 35 11,-0.1 11,-3.2 10,-0.1 2,-0.5 0.493 94.8 83.3 -88.9 -1.9 -10.9 85.6 40.4 4 7 A L E < +A 13 0A 64 -3,-1.7 2,-0.4 9,-0.2 9,-0.2 -0.890 56.6 179.1-106.2 126.2 -13.3 83.5 38.4 5 8 A V E -A 12 0A 3 7,-2.6 7,-2.8 -2,-0.5 2,-0.8 -0.984 21.0-147.2-129.9 137.1 -12.1 80.2 37.1 6 9 A N E +A 11 0A 102 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.831 26.6 177.7-105.6 101.5 -14.0 77.5 35.1 7 10 A T E > -A 10 0A 8 3,-1.9 3,-1.0 -2,-0.8 173,-0.1 -0.405 46.9-100.0 -95.2 174.8 -12.8 74.0 35.9 8 11 A K T 3 S+ 0 0 123 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.562 124.4 50.4 -69.8 -8.4 -13.9 70.6 34.7 9 12 A S T 3 S- 0 0 15 1,-0.5 42,-2.7 41,-0.1 -1,-0.2 0.527 126.7 -75.7-104.5 -11.0 -16.0 70.3 37.9 10 13 A G E < -A 7 0A 12 -3,-1.0 -3,-1.9 40,-0.2 -1,-0.5 -0.781 66.1 -42.2 139.0 176.9 -17.7 73.7 37.7 11 14 A K E -Ab 6 54A 99 42,-0.9 44,-2.5 40,-0.4 2,-0.4 -0.448 49.1-158.5 -78.4 150.1 -17.0 77.4 38.2 12 15 A V E -Ab 5 55A 0 -7,-2.8 -7,-2.6 42,-0.2 2,-0.6 -0.991 7.2-153.1-133.2 136.7 -15.0 78.7 41.1 13 16 A M E -Ab 4 56A 62 42,-3.4 44,-2.6 -2,-0.4 -9,-0.2 -0.922 19.4-174.9-112.8 113.5 -14.9 82.1 42.7 14 17 A G - 0 0 6 -11,-3.2 2,-0.3 -2,-0.6 13,-0.2 -0.076 16.4-122.2 -91.3-165.8 -11.7 83.1 44.5 15 18 A T E -C 26 0B 39 11,-2.6 11,-2.3 42,-0.3 2,-0.4 -0.960 18.0-115.6-139.1 154.7 -10.7 86.1 46.6 16 19 A R E -C 25 0B 119 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.742 33.8-167.3 -92.2 136.4 -7.9 88.7 46.4 17 20 A V E -C 24 0B 27 7,-2.8 7,-1.9 -2,-0.4 2,-0.2 -0.983 19.0-123.9-132.1 139.7 -5.4 88.7 49.2 18 21 A P E +C 23 0B 77 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.506 32.0 172.2 -76.7 143.1 -2.7 91.1 50.4 19 22 A V E > -C 22 0B 3 3,-1.9 3,-0.9 -2,-0.2 -2,-0.0 -0.919 66.2 -17.6-155.4 124.4 0.9 89.8 50.7 20 23 A L T 3 S- 0 0 49 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.866 129.2 -50.8 43.4 46.8 4.1 91.7 51.3 21 24 A S T 3 S+ 0 0 131 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.840 130.4 76.0 61.3 38.5 2.3 94.9 50.4 22 25 A S E < S-C 19 0B 39 -3,-0.9 -3,-1.9 -5,-0.0 2,-0.3 -0.733 75.2-110.6-149.5-162.7 1.0 93.5 47.1 23 26 A H E +C 18 0B 77 -5,-0.3 77,-0.3 -2,-0.2 2,-0.3 -0.993 23.5 174.8-147.4 153.7 -1.8 91.0 46.1 24 27 A I E -C 17 0B 1 -7,-1.9 -7,-2.8 -2,-0.3 2,-0.3 -0.909 35.7-100.9-145.3 168.5 -2.4 87.6 44.7 25 28 A S E -CD 16 98B 2 73,-2.8 73,-2.4 -2,-0.3 2,-0.4 -0.693 31.4-166.5 -96.1 150.9 -5.5 85.4 44.1 26 29 A A E -CD 15 97B 0 -11,-2.3 -11,-2.6 -2,-0.3 2,-0.6 -0.999 12.8-166.6-139.3 133.5 -6.6 82.7 46.4 27 30 A F E - D 0 96B 2 69,-3.0 69,-2.9 -2,-0.4 2,-0.4 -0.945 22.6-171.6-120.5 104.0 -9.1 79.9 45.8 28 31 A L E +n 58 0C 17 29,-3.5 31,-0.5 -2,-0.6 67,-0.2 -0.795 55.3 11.5-104.3 141.1 -9.8 78.4 49.2 29 32 A G E + 0 0 5 -2,-0.4 -1,-0.2 65,-0.2 66,-0.2 0.877 68.1 170.9 69.7 41.6 -11.8 75.3 49.9 30 33 A I E - D 0 94B 0 64,-2.6 64,-2.7 -3,-0.3 -1,-0.2 -0.721 31.7-127.5 -83.6 128.7 -12.3 73.8 46.5 31 34 A P E + D 0 93B 2 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.517 32.6 171.6 -78.2 143.3 -13.8 70.3 46.8 32 35 A F + 0 0 3 60,-1.5 16,-0.6 1,-0.2 2,-0.3 0.344 66.5 28.6-128.6 0.9 -12.1 67.3 45.1 33 36 A A B S-O 47 0D 3 59,-0.7 -1,-0.2 14,-0.3 15,-0.1 -0.979 88.8 -90.8-155.5 159.4 -14.1 64.4 46.5 34 37 A E - 0 0 33 12,-2.3 12,-0.3 -2,-0.3 14,-0.1 -0.464 61.2 -86.4 -72.2 146.8 -17.6 63.6 47.8 35 38 A P - 0 0 32 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.381 38.7-135.9 -56.8 122.6 -17.9 64.2 51.6 36 39 A P + 0 0 1 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.383 55.5 135.7 -79.1 61.2 -16.8 60.8 53.1 37 40 A V > - 0 0 66 -2,-2.0 3,-2.8 3,-0.1 4,-0.0 -0.594 53.6 -8.3-109.8 170.3 -19.7 60.6 55.7 38 41 A G G > S+ 0 0 43 1,-0.3 3,-2.1 2,-0.2 0, 0.0 -0.229 136.5 8.4 51.2-125.3 -22.1 58.0 57.0 39 42 A N G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.1 4,-0.0 0.703 127.9 64.7 -58.0 -20.2 -21.8 54.8 54.9 40 43 A M G X S+ 0 0 39 -3,-2.8 3,-1.9 -5,-0.1 -1,-0.3 0.625 72.3 119.6 -80.9 -11.8 -18.8 56.4 53.2 41 44 A R T < S+ 0 0 11 -3,-2.1 3,-0.1 1,-0.3 -4,-0.1 -0.269 86.4 7.2 -57.2 135.6 -16.7 56.4 56.4 42 45 A F T 3 S+ 0 0 3 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.249 108.6 121.5 74.9 -11.2 -13.5 54.3 56.0 43 46 A R S < S- 0 0 69 -3,-1.9 -1,-0.3 118,-0.1 117,-0.1 -0.366 75.2 -90.2 -82.0 157.7 -14.4 53.9 52.4 44 47 A R - 0 0 68 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.338 54.2 -99.0 -62.3 147.3 -12.3 54.9 49.3 45 48 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.352 31.2-145.9 -71.6 150.0 -13.0 58.4 48.1 46 49 A E - 0 0 98 -12,-0.3 -12,-2.3 -3,-0.1 3,-0.1 -0.872 29.4 -96.3-112.5 147.6 -15.3 59.2 45.2 47 50 A P B -O 33 0D 84 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.272 46.5-101.3 -60.1 146.9 -14.8 62.1 42.7 48 51 A K - 0 0 46 -16,-0.6 -14,-0.1 -15,-0.1 3,-0.1 -0.483 38.0-116.2 -70.0 139.4 -16.7 65.2 43.5 49 52 A K - 0 0 143 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.575 36.6-101.1 -77.0 136.3 -19.8 65.5 41.3 50 53 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.127 41.1-148.2 -52.7 155.0 -19.7 68.6 39.0 51 54 A W - 0 0 36 -42,-2.7 -40,-0.4 2,-0.1 2,-0.1 -0.956 5.5-133.3-131.4 149.2 -21.8 71.5 40.2 52 55 A S S S+ 0 0 122 -2,-0.3 -43,-0.0 -42,-0.1 0, 0.0 -0.397 73.4 27.7 -88.7 172.8 -23.8 74.3 38.5 53 56 A G S S- 0 0 55 -2,-0.1 -42,-0.9 2,-0.0 2,-0.4 -0.218 105.9 -50.2 70.7-166.4 -23.4 77.9 39.5 54 57 A V E -b 11 0A 80 -44,-0.1 2,-0.5 -42,-0.0 -42,-0.2 -0.918 45.9-133.5-113.7 130.9 -20.3 79.3 41.1 55 58 A W E -b 12 0A 71 -44,-2.5 -42,-3.4 -2,-0.4 2,-1.0 -0.693 20.7-129.6 -84.4 128.1 -18.5 77.8 44.1 56 59 A N E +b 13 0A 109 -2,-0.5 3,-0.3 -44,-0.2 -42,-0.1 -0.671 34.8 169.3 -78.4 102.2 -17.5 80.3 46.7 57 60 A A + 0 0 0 -44,-2.6 -29,-3.5 -2,-1.0 -42,-0.3 -0.297 42.1 105.8-110.1 47.8 -13.8 79.6 47.3 58 61 A S B S+n 28 0C 41 -44,-0.2 2,-0.3 -31,-0.2 -1,-0.2 0.449 72.5 51.9-105.0 -3.8 -13.0 82.7 49.4 59 62 A T S S- 0 0 91 -31,-0.5 -1,-0.1 -3,-0.3 -44,-0.0 -0.981 89.7 -94.6-135.8 149.2 -12.7 81.1 52.9 60 63 A Y - 0 0 38 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.178 40.8-125.0 -57.6 149.0 -10.9 78.1 54.3 61 64 A P - 0 0 14 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 -0.235 37.0 -79.0 -85.0 179.8 -12.7 74.8 54.5 62 65 A N - 0 0 62 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.248 45.1-114.8 -74.5 168.5 -13.2 72.7 57.7 63 66 A N B -p 87 0E 4 23,-1.9 25,-2.3 1,-0.1 58,-0.1 -0.796 35.7 -97.2-103.8 149.9 -10.4 70.5 59.1 64 67 A C - 0 0 9 -2,-0.3 25,-0.2 56,-0.3 2,-0.2 -0.245 50.6 -86.6 -62.8 152.1 -10.7 66.7 59.2 65 68 A Q S S+ 0 0 33 23,-0.5 82,-0.4 22,-0.1 2,-0.3 -0.428 70.2 153.4 -60.1 128.3 -11.8 65.1 62.5 66 69 A Q - 0 0 5 -2,-0.2 2,-0.2 -3,-0.1 53,-0.1 -0.981 50.1 -85.1-157.2 167.2 -8.7 64.6 64.6 67 70 A Y - 0 0 87 51,-1.0 2,-0.5 -2,-0.3 206,-0.0 -0.521 44.7-145.3 -71.7 139.8 -7.0 64.3 68.0 68 71 A V - 0 0 39 -2,-0.2 2,-0.3 14,-0.1 14,-0.1 -0.951 9.5-126.6-118.6 123.9 -6.2 67.7 69.4 69 72 A D + 0 0 28 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.485 35.6 162.2 -69.7 124.5 -3.1 68.4 71.5 70 73 A E + 0 0 145 -2,-0.3 -1,-0.1 1,-0.1 9,-0.0 0.119 38.3 114.9-126.7 15.9 -4.0 69.9 74.9 71 74 A Q S S+ 0 0 108 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.760 90.6 27.3 -59.8 -23.8 -0.7 69.2 76.7 72 75 A F S > S- 0 0 35 3,-0.1 3,-1.6 -3,-0.1 -1,-0.3 -0.468 83.3-152.7-141.4 69.8 -0.1 73.0 76.8 73 76 A P T 3 S+ 0 0 105 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.074 82.3 3.8 -44.2 126.5 -3.3 75.1 76.8 74 77 A G T 3 S+ 0 0 57 1,-0.2 2,-0.2 2,-0.1 -4,-0.0 -0.052 91.8 133.1 87.1 -35.2 -2.7 78.6 75.4 75 78 A F X> - 0 0 38 -3,-1.6 4,-2.2 1,-0.2 3,-1.0 -0.295 47.8-154.0 -53.4 114.4 1.0 77.8 74.5 76 79 A S H 3> S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.900 87.4 72.9 -59.0 -38.0 1.4 79.1 70.9 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.805 113.6 20.9 -45.1 -40.9 4.2 76.6 70.4 78 81 A S H X4 S+ 0 0 2 -3,-1.0 3,-1.1 -6,-0.3 4,-0.4 0.710 118.5 60.7-104.0 -26.4 1.8 73.6 70.3 79 82 A E H >< S+ 0 0 76 -4,-2.2 3,-0.6 1,-0.3 -2,-0.2 0.712 87.8 73.5 -76.7 -17.7 -1.4 75.3 69.4 80 83 A M T 3< S+ 0 0 59 -4,-2.2 46,-0.3 1,-0.2 -1,-0.3 0.576 100.6 48.0 -69.2 -7.8 -0.1 76.6 66.1 81 84 A W T < S+ 0 0 53 -3,-1.1 -1,-0.2 -5,-0.2 39,-0.2 0.590 92.8 95.7-104.6 -16.6 -0.3 72.9 65.0 82 85 A N S < S- 0 0 24 -3,-0.6 2,-0.1 -4,-0.4 -14,-0.1 -0.280 93.5 -81.6 -71.1 160.9 -3.9 72.3 66.2 83 86 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.413 35.9-163.9 -63.5 133.8 -6.8 72.6 63.8 84 87 A N + 0 0 64 -2,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.147 68.1 56.8-106.9 19.0 -7.9 76.3 63.4 85 88 A R S S- 0 0 112 0, 0.0 -23,-0.1 0, 0.0 -22,-0.0 -0.908 103.0 -73.1-139.9 166.3 -11.3 75.6 61.9 86 89 A E - 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