==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-01 1GQS . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR P.BAR-ON,C.B.MILLARD,M.HAREL,H.DVIR,A.ENZ,J.L.SUSSMAN, . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.9 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 . 66 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 4 0 2 2 2 0 2 2 1 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 1 1 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 . 0 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 1 0 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 0 119 0, 0.0 3,-2.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.0 -12.2 87.5 35.6 2 5 A E T 3 + 0 0 45 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.802 360.0 55.6 -55.8 -29.5 -8.8 86.4 37.0 3 6 A L T 3 S+ 0 0 22 11,-0.1 11,-3.2 10,-0.1 2,-0.4 0.216 96.3 79.0 -90.4 15.4 -10.6 85.1 40.0 4 7 A L E < +A 13 0A 59 -3,-2.4 2,-0.4 9,-0.2 9,-0.2 -0.988 56.5 175.0-125.4 127.9 -12.9 82.9 37.9 5 8 A V E -A 12 0A 4 7,-2.1 7,-2.5 -2,-0.4 2,-0.6 -0.998 22.6-142.6-137.1 139.7 -11.7 79.6 36.5 6 9 A N E -A 11 0A 90 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.894 25.9-179.9-103.7 114.7 -13.5 76.9 34.5 7 10 A T E > -A 10 0A 8 3,-2.2 3,-1.8 -2,-0.6 173,-0.1 -0.812 45.4-105.8-116.0 155.9 -12.5 73.3 35.4 8 11 A K T 3 S+ 0 0 124 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.801 124.7 51.3 -44.2 -32.2 -13.6 70.0 34.1 9 12 A S T 3 S- 0 0 16 1,-0.3 42,-2.2 41,-0.1 -1,-0.3 0.792 127.5 -76.5 -78.7 -29.2 -15.5 69.7 37.4 10 13 A G E < -A 7 0A 10 -3,-1.8 -3,-2.2 40,-0.2 -1,-0.3 -0.886 62.3 -46.7 153.6 178.6 -17.2 73.1 37.1 11 14 A K E -Ab 6 54A 86 42,-0.6 44,-1.7 40,-0.3 2,-0.4 -0.455 49.6-157.4 -77.1 153.6 -16.6 76.8 37.5 12 15 A V E -Ab 5 55A 0 -7,-2.5 -7,-2.1 42,-0.2 2,-0.7 -0.988 9.5-152.2-138.9 127.6 -14.8 78.1 40.5 13 16 A M E -Ab 4 56A 66 42,-3.3 44,-3.2 -2,-0.4 -9,-0.2 -0.861 23.8-179.4 -99.6 114.6 -14.8 81.6 42.1 14 17 A G - 0 0 3 -11,-3.2 2,-0.3 -2,-0.7 13,-0.2 -0.104 17.6-122.0 -96.3-162.3 -11.6 82.4 43.9 15 18 A T E -C 26 0B 40 11,-2.2 11,-2.3 42,-0.3 2,-0.7 -0.988 16.1-115.6-145.2 153.3 -10.4 85.4 45.9 16 19 A R E -C 25 0B 123 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.808 32.7-168.2 -94.7 118.2 -7.6 87.9 45.8 17 20 A V E -C 24 0B 26 7,-2.8 7,-2.5 -2,-0.7 2,-0.3 -0.782 21.1-119.2-105.7 148.9 -5.2 87.7 48.8 18 21 A P E -C 23 0B 92 0, 0.0 2,-0.4 0, 0.0 5,-0.3 -0.644 30.2-175.7 -85.7 141.4 -2.5 90.2 49.7 19 22 A V E > -C 22 0B 0 3,-2.3 3,-0.6 -2,-0.3 -2,-0.0 -0.925 63.7 -29.2-142.6 116.2 1.0 89.0 49.9 20 23 A L T 3 S- 0 0 49 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.926 128.2 -42.4 41.9 62.5 4.1 91.0 51.0 21 24 A S T 3 S+ 0 0 135 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.754 132.7 73.4 56.7 31.0 2.5 94.3 49.8 22 25 A S E < S-C 19 0B 50 -3,-0.6 -3,-2.3 2,-0.0 2,-0.3 -0.733 75.4-112.2-147.6-165.3 1.2 92.7 46.5 23 26 A H E +C 18 0B 62 -5,-0.3 2,-0.3 -2,-0.2 77,-0.3 -0.999 22.4 176.4-147.8 148.4 -1.6 90.4 45.5 24 27 A I E -C 17 0B 2 -7,-2.5 -7,-2.8 -2,-0.3 2,-0.2 -0.946 34.8-104.3-140.8 160.1 -2.2 86.9 44.2 25 28 A S E -CD 16 98B 0 73,-2.3 73,-2.8 -2,-0.3 2,-0.3 -0.533 31.3-166.7 -85.2 153.9 -5.3 84.9 43.5 26 29 A A E -CD 15 97B 0 -11,-2.3 -11,-2.2 71,-0.2 2,-0.8 -0.943 14.4-165.9-146.5 120.9 -6.4 82.1 45.8 27 30 A F E - D 0 96B 1 69,-2.8 69,-2.4 -2,-0.3 3,-0.4 -0.886 25.2-171.0-106.4 99.8 -8.9 79.4 45.1 28 31 A L E +m 58 0C 18 29,-2.5 31,-0.6 -2,-0.8 67,-0.2 -0.755 54.5 13.5 -98.8 140.8 -9.5 77.9 48.6 29 32 A G E + 0 0 6 -2,-0.4 66,-0.2 1,-0.2 -1,-0.2 0.811 68.0 172.9 74.3 35.1 -11.5 74.8 49.4 30 33 A I E - D 0 94B 0 64,-2.4 64,-2.8 -3,-0.4 2,-0.3 -0.624 30.0-129.0 -78.0 128.7 -12.0 73.1 46.0 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.596 29.9 173.9 -78.7 132.7 -13.6 69.7 46.4 32 35 A F + 0 0 3 60,-0.8 2,-0.3 -2,-0.3 16,-0.2 0.180 65.9 24.9-123.7 16.1 -11.8 66.8 44.6 33 36 A A S S- 0 0 2 59,-0.5 -1,-0.2 14,-0.2 59,-0.0 -0.969 89.2 -86.5-169.4 159.0 -13.9 63.9 45.9 34 37 A E - 0 0 40 12,-3.3 12,-0.5 -2,-0.3 14,-0.1 -0.545 63.2 -87.6 -74.3 139.9 -17.4 63.1 47.3 35 38 A P - 0 0 25 0, 0.0 2,-3.0 0, 0.0 55,-0.2 -0.266 35.1-137.2 -50.3 111.4 -17.6 63.6 51.1 36 39 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.096 61.9 127.9 -68.5 45.7 -16.5 60.3 52.6 37 40 A V > + 0 0 59 -2,-3.0 3,-1.7 3,-0.1 -3,-0.0 -0.400 51.9 12.5 -96.7 175.3 -19.3 60.5 55.1 38 41 A G G > S- 0 0 50 1,-0.3 3,-2.5 2,-0.2 0, 0.0 -0.220 133.2 -7.3 58.7-143.9 -22.0 58.0 56.0 39 42 A N G 3 S+ 0 0 102 1,-0.3 -1,-0.3 3,-0.1 225,-0.1 0.583 127.2 74.0 -64.1 -3.1 -21.6 54.4 54.7 40 43 A M G X + 0 0 41 -3,-1.7 3,-1.8 -5,-0.2 -1,-0.3 0.482 65.9 122.9 -86.4 -1.9 -18.6 55.7 52.7 41 44 A R T < S+ 0 0 11 -3,-2.5 -4,-0.1 1,-0.3 3,-0.1 -0.319 84.1 10.1 -57.9 140.7 -16.5 56.0 55.9 42 45 A F T 3 S+ 0 0 2 108,-0.7 121,-0.5 1,-0.2 -1,-0.3 0.242 106.8 121.6 72.8 -16.4 -13.4 53.9 55.5 43 46 A R S < S- 0 0 89 -3,-1.8 -1,-0.2 118,-0.2 117,-0.1 -0.311 74.7 -88.0 -77.3 162.3 -14.2 53.5 51.8 44 47 A R - 0 0 86 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.329 57.5 -88.8 -65.8 149.6 -12.0 54.5 48.9 45 48 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.340 39.8-146.0 -63.6 140.1 -12.5 58.1 47.7 46 49 A E - 0 0 98 -12,-0.5 -12,-3.3 -3,-0.1 2,-0.1 -0.861 27.7 -95.1-109.8 142.0 -15.1 58.7 45.1 47 50 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 -14,-0.2 -0.303 42.7-109.4 -56.4 126.9 -14.9 61.4 42.3 48 51 A K - 0 0 46 -16,-0.2 3,-0.1 1,-0.1 -14,-0.0 -0.431 37.6-118.1 -61.5 112.5 -16.6 64.7 43.2 49 52 A K - 0 0 137 -2,-0.4 -1,-0.1 1,-0.1 -16,-0.1 -0.271 36.9-102.8 -52.8 130.8 -19.7 64.8 41.0 50 53 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.118 39.1-154.8 -55.3 155.1 -19.4 67.9 38.7 51 54 A W - 0 0 42 -42,-2.2 -40,-0.3 2,-0.1 2,-0.3 -0.934 7.9-139.1-133.0 154.7 -21.5 70.9 39.6 52 55 A S + 0 0 119 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.800 68.2 48.5-109.6 157.5 -22.9 73.8 37.6 53 56 A G S S- 0 0 51 -2,-0.3 -42,-0.6 2,-0.1 2,-0.5 -0.282 102.2 -57.4 98.4 168.7 -22.9 77.3 38.9 54 57 A V E -b 11 0A 82 -2,-0.1 2,-0.5 -44,-0.1 -42,-0.2 -0.752 48.6-135.9 -92.8 130.2 -19.8 79.0 40.4 55 58 A W E -b 12 0A 70 -44,-1.7 -42,-3.3 -2,-0.5 2,-1.1 -0.713 16.5-127.8 -85.3 125.1 -18.2 77.4 43.4 56 59 A N E +b 13 0A 103 -2,-0.5 3,-0.3 -44,-0.2 -42,-0.2 -0.603 39.6 163.9 -73.3 100.9 -17.2 79.8 46.2 57 60 A A + 0 0 0 -44,-3.2 -29,-2.5 -2,-1.1 -42,-0.3 -0.461 40.5 107.2-115.3 55.6 -13.6 78.9 46.7 58 61 A S B S+m 28 0C 32 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.492 72.9 45.8-108.6 -12.1 -12.7 82.0 48.7 59 62 A T S S- 0 0 81 -31,-0.6 -1,-0.1 -3,-0.3 -44,-0.0 -0.957 89.5 -89.8-135.6 156.3 -12.3 80.5 52.1 60 63 A Y - 0 0 34 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.187 40.2-128.8 -60.3 150.0 -10.6 77.5 53.7 61 64 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.182 36.2 -75.8 -88.3-175.5 -12.5 74.2 54.1 62 65 A N - 0 0 58 28,-0.3 2,-0.4 23,-0.1 25,-0.2 -0.399 45.2-119.5 -78.4 160.4 -12.9 72.0 57.1 63 66 A N B -n 87 0D 5 23,-1.0 25,-1.9 22,-0.2 3,-0.1 -0.803 36.4 -99.3-100.5 145.1 -10.0 69.9 58.4 64 67 A a - 0 0 3 -2,-0.4 25,-0.2 56,-0.3 56,-0.1 -0.072 52.1 -78.5 -57.3 164.8 -10.5 66.1 58.5 65 68 A Q + 0 0 29 23,-0.2 82,-0.3 22,-0.1 2,-0.3 -0.456 69.6 152.3 -66.6 136.3 -11.4 64.5 61.8 66 69 A Q - 0 0 3 -2,-0.1 2,-0.4 -3,-0.1 53,-0.1 -0.986 51.7 -88.5-166.4 154.9 -8.4 64.1 64.0 67 70 A Y - 0 0 89 51,-0.8 2,-0.3 -2,-0.3 51,-0.1 -0.517 46.2-142.8 -66.6 116.5 -6.9 63.9 67.6 68 71 A V - 0 0 44 -2,-0.4 2,-0.6 14,-0.1 11,-0.1 -0.614 14.9-116.4 -85.2 145.0 -6.2 67.4 68.7 69 72 A D + 0 0 22 -2,-0.3 3,-0.1 9,-0.2 13,-0.1 -0.698 40.0 162.2 -85.8 119.2 -3.2 68.1 70.9 70 73 A E + 0 0 139 -2,-0.6 -1,-0.1 1,-0.1 9,-0.0 0.101 40.2 112.3-119.7 20.3 -4.0 69.4 74.3 71 74 A Q S S+ 0 0 100 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.863 93.7 20.5 -61.5 -36.1 -0.6 68.7 75.9 72 75 A F S > S- 0 0 30 3,-0.1 3,-2.4 -3,-0.1 -1,-0.3 -0.606 86.2-151.8-135.2 73.1 0.1 72.4 76.4 73 76 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.171 83.4 7.9 -47.1 126.7 -3.2 74.3 76.2 74 77 A G T 3 S+ 0 0 61 1,-0.3 2,-0.3 2,-0.1 3,-0.0 0.103 92.6 132.9 86.5 -25.0 -2.6 77.8 74.9 75 78 A F X> - 0 0 32 -3,-2.4 4,-1.8 1,-0.2 3,-0.9 -0.466 46.2-156.0 -63.9 119.9 1.0 77.0 74.0 76 79 A S H 3> S+ 0 0 68 -2,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.848 87.3 66.5 -66.4 -41.1 1.5 78.4 70.5 77 80 A G H 34 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.734 113.8 31.3 -51.8 -23.7 4.5 76.1 69.7 78 81 A S H X4 S+ 0 0 2 -3,-0.9 3,-0.7 -6,-0.2 4,-0.3 0.721 117.8 51.2-106.1 -30.6 2.1 73.0 69.9 79 82 A E H >< S+ 0 0 69 -4,-1.8 3,-0.6 1,-0.2 -3,-0.2 0.650 85.4 82.2 -83.7 -13.0 -1.3 74.4 68.7 80 83 A M T 3< S+ 0 0 69 -4,-1.7 46,-0.4 1,-0.3 45,-0.3 0.623 100.7 45.0 -65.4 -5.0 0.1 76.0 65.5 81 84 A W T < S+ 0 0 53 -3,-0.7 -1,-0.3 -5,-0.1 -2,-0.2 0.597 92.0 96.6-109.2 -21.2 -0.3 72.4 64.3 82 85 A N S < S- 0 0 21 -3,-0.6 -14,-0.1 -4,-0.3 39,-0.1 -0.290 94.5 -81.5 -65.8 159.9 -3.8 71.7 65.7 83 86 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.387 35.7-166.4 -63.9 137.0 -6.7 72.2 63.2 84 87 A N + 0 0 67 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.067 68.6 68.1-110.5 20.7 -7.7 75.8 62.9 85 88 A R S S- 0 0 108 3,-0.0 -22,-0.2 0, 0.0 -23,-0.1 -0.975 101.8 -82.7-138.8 151.2 -10.9 74.9 61.1 86 89 A E - 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0 0 32 -3,-0.5 9,-0.1 -4,-0.2 3,-0.0 -0.180 64.2-137.1 -55.7 153.2 -0.9 50.2 69.5 280 283 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.641 80.1 35.4 -86.9 -16.5 0.9 46.9 70.3 281 284 A F S S- 0 0 113 74,-0.0 2,-1.0 2,-0.0 78,-0.1 -0.941 83.3-108.2-138.0 158.2 3.6 48.5 72.4 282 285 A D S S+ 0 0 133 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.771 71.5 150.6 -79.8 110.0 4.3 51.2 74.9 283 286 A S - 0 0 21 -2,-1.0 3,-0.3 3,-0.1 2,-0.3 -0.978 50.9-125.5-151.8 164.6 6.2 53.3 72.5 284 287 A I S S+ 0 0 14 71,-1.6 3,-0.1 -2,-0.3 45,-0.1 -0.785 91.1 15.6-106.0 146.6 7.4 56.6 71.2 285 288 A F S S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.899 93.8 123.0 58.3 46.8 7.0 57.8 67.5 286 289 A R - 0 0 33 -3,-0.3 2,-0.4 -5,-0.0 -1,-0.2 -0.996 42.3-161.6-140.4 130.8 4.4 55.2 66.7 287 290 A F - 0 0 12 -2,-0.4 3,-0.1 -57,-0.3 -11,-0.0 -0.888 18.6-132.0-120.0 146.8 0.8 55.8 65.4 288 291 A S S S+ 0 0 2 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.977 88.5 36.6 -56.7 -72.9 -2.2 53.7 65.3 289 292 A F S S+ 0 0 5 -173,-0.1 -141,-0.4 -172,-0.1 -1,-0.2 -0.783 74.0 141.4 -98.4 113.1 -3.6 53.9 61.8 290 293 A V - 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