==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAY-06 2CMF . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR E.H.RYDBERG,B.BRUMSHTEIN,H.M.GREENBLATT,D.M.WONG,Y.P.PANG, . 528 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.3 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 2 1 0 4 3 0 1 2 0 0 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 . 1 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 . 2 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 0 132 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.1 -10.0 90.3 36.1 2 5 A E T 3 + 0 0 52 1,-0.3 12,-0.1 11,-0.0 13,-0.1 0.872 360.0 64.2 -57.8 -39.9 -7.2 88.3 37.7 3 6 A L T 3 S+ 0 0 28 11,-0.1 11,-3.1 10,-0.1 2,-0.5 0.420 91.8 76.4 -70.6 3.2 -9.4 87.2 40.6 4 7 A L E < +A 13 0A 68 -3,-1.7 2,-0.4 9,-0.2 9,-0.2 -0.961 57.2 169.3-119.7 128.0 -11.7 85.4 38.3 5 8 A V E -A 12 0A 4 7,-2.5 7,-2.7 -2,-0.5 2,-0.7 -0.993 25.2-142.7-135.8 144.6 -10.8 82.0 36.9 6 9 A N E -A 11 0A 92 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.904 25.0-177.7-112.0 112.9 -12.8 79.4 35.0 7 10 A T E > -A 10 0A 9 3,-2.2 3,-1.0 -2,-0.7 173,-0.1 -0.603 45.1-101.6-104.9 166.8 -12.0 75.8 35.8 8 11 A K T 3 S+ 0 0 128 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.675 124.8 45.5 -59.1 -15.6 -13.3 72.5 34.5 9 12 A S T 3 S- 0 0 20 1,-0.4 42,-2.8 41,-0.1 -1,-0.3 0.561 126.7 -53.9-105.1 -16.1 -15.4 72.4 37.7 10 13 A G E < -A 7 0A 8 -3,-1.0 -3,-2.2 40,-0.2 -1,-0.4 -0.835 63.7 -65.2 155.7 166.9 -16.8 75.9 37.9 11 14 A K E -Ab 6 54A 103 42,-0.8 44,-1.7 40,-0.4 2,-0.4 -0.527 50.3-160.3 -77.5 151.7 -16.0 79.6 37.9 12 15 A V E -Ab 5 55A 0 -7,-2.7 -7,-2.5 42,-0.3 2,-0.6 -0.997 10.5-152.4-138.4 137.3 -14.0 80.6 40.9 13 16 A M E -Ab 4 56A 79 42,-3.7 44,-3.6 -2,-0.4 -9,-0.2 -0.940 19.3-178.8-116.3 118.2 -13.5 84.0 42.5 14 17 A G - 0 0 3 -11,-3.1 2,-0.3 -2,-0.6 13,-0.2 -0.083 17.6-117.7 -96.5-160.9 -10.4 84.7 44.4 15 18 A T E -C 26 0B 34 11,-1.9 11,-1.9 42,-0.3 2,-0.3 -0.982 17.4-109.1-146.7 156.0 -9.0 87.6 46.3 16 19 A R E -C 25 0B 109 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.597 36.0-165.7 -82.9 134.8 -6.2 90.1 46.3 17 20 A V E -C 24 0B 21 7,-3.3 7,-2.2 -2,-0.3 2,-0.2 -0.983 17.9-123.1-131.7 141.2 -3.7 89.7 49.1 18 21 A P E +C 23 0B 80 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.488 32.1 174.3 -74.6 142.9 -0.9 91.9 50.4 19 22 A V E > -C 22 0B 4 3,-2.5 3,-2.1 -2,-0.2 -2,-0.0 -0.873 60.8 -27.5-155.4 120.9 2.6 90.5 50.5 20 23 A L T 3 S- 0 0 44 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.894 126.1 -44.9 40.3 58.0 6.0 92.2 51.4 21 24 A S T 3 S+ 0 0 138 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.604 133.9 72.6 64.2 14.3 4.8 95.7 50.4 22 25 A S E < S-C 19 0B 40 -3,-2.1 -3,-2.5 -5,-0.0 2,-0.3 -0.533 75.5-118.4-133.3-161.0 3.2 94.2 47.2 23 26 A H E +C 18 0B 83 -5,-0.3 77,-0.3 -2,-0.2 2,-0.3 -0.974 22.2 175.3-146.7 159.1 0.2 92.1 46.3 24 27 A I E -C 17 0B 2 -7,-2.2 -7,-3.3 -2,-0.3 2,-0.2 -0.910 34.8 -92.7-151.5 175.8 -0.7 88.7 44.7 25 28 A S E -CD 16 98B 2 73,-2.2 73,-0.9 -2,-0.3 2,-0.3 -0.650 32.2-171.4 -95.7 154.2 -3.8 86.6 44.0 26 29 A A E -CD 15 97B 0 -11,-1.9 -11,-1.9 -2,-0.2 2,-0.9 -0.899 14.0-165.8-149.8 116.1 -5.1 83.9 46.3 27 30 A F E - D 0 96B 2 69,-3.0 69,-2.0 -2,-0.3 3,-0.4 -0.822 24.2-174.1-103.1 94.6 -7.9 81.5 45.6 28 31 A L E + 0 0 19 29,-2.0 31,-0.4 -2,-0.9 67,-0.2 -0.584 55.9 14.3 -87.9 146.8 -8.7 80.1 49.1 29 32 A G E + 0 0 5 -2,-0.2 -1,-0.2 1,-0.2 66,-0.2 0.733 68.3 168.1 66.7 29.2 -11.1 77.2 49.8 30 33 A I E - D 0 94B 0 64,-1.8 64,-2.5 -3,-0.4 2,-0.5 -0.604 33.9-127.5 -76.2 127.8 -11.6 75.6 46.3 31 34 A P E + D 0 93B 0 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.625 32.8 170.9 -79.5 123.7 -13.4 72.3 46.7 32 35 A F + 0 0 3 60,-1.4 16,-1.2 -2,-0.5 2,-0.3 0.603 66.8 34.2-105.6 -12.3 -11.8 69.3 44.9 33 36 A A B S-M 47 0C 3 59,-1.1 59,-0.1 14,-0.3 -1,-0.1 -0.914 86.5 -97.5-136.8 164.5 -14.0 66.6 46.4 34 37 A E - 0 0 44 12,-2.6 12,-0.5 -2,-0.3 14,-0.1 -0.629 62.5 -86.5 -78.8 133.7 -17.6 65.9 47.6 35 38 A P - 0 0 29 0, 0.0 2,-1.3 0, 0.0 55,-0.2 -0.143 35.9-138.7 -40.8 121.2 -17.9 66.4 51.4 36 39 A P + 0 0 4 0, 0.0 6,-0.1 0, 0.0 7,-0.1 -0.108 59.1 130.3 -81.7 46.7 -17.0 63.0 52.8 37 40 A V > + 0 0 56 -2,-1.3 3,-2.5 3,-0.2 2,-0.1 -0.335 53.6 0.4 -95.3 177.1 -19.8 63.2 55.3 38 41 A G G > S+ 0 0 46 1,-0.3 3,-1.0 2,-0.2 0, 0.0 -0.245 137.8 3.7 52.8-123.0 -22.6 60.9 56.5 39 42 A N G 3 S+ 0 0 71 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.476 129.7 69.3 -72.0 1.2 -22.6 57.6 54.7 40 43 A M G X + 0 0 50 -3,-2.5 3,-2.5 -5,-0.1 -1,-0.2 0.729 67.0 113.3 -90.6 -28.1 -19.4 58.9 53.0 41 44 A R T < S+ 0 0 9 -3,-1.0 3,-0.1 1,-0.3 -4,-0.1 -0.249 86.0 15.3 -50.9 128.4 -17.1 58.8 56.0 42 45 A F T 3 S+ 0 0 3 108,-0.7 121,-0.6 1,-0.3 -1,-0.3 0.203 105.1 114.6 88.2 -9.4 -14.3 56.2 55.6 43 46 A R S < S- 0 0 39 -3,-2.5 -1,-0.3 118,-0.2 117,-0.1 -0.414 79.0 -86.8 -88.8 163.0 -15.0 56.0 51.8 44 47 A R - 0 0 81 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.322 59.3 -94.3 -62.8 147.6 -12.8 56.9 48.9 45 48 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.283 35.2-141.5 -64.2 157.1 -13.3 60.6 48.0 46 49 A E - 0 0 94 -12,-0.5 -12,-2.6 -3,-0.1 2,-0.1 -0.915 28.7-103.0-114.1 142.4 -15.8 61.3 45.3 47 50 A P B -M 33 0C 72 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.441 44.8 -94.3 -71.1 146.2 -14.9 64.1 42.9 48 51 A K - 0 0 41 -16,-1.2 -14,-0.1 1,-0.1 3,-0.1 -0.320 37.7-117.5 -57.7 126.9 -16.7 67.4 43.4 49 52 A K - 0 0 117 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.517 41.3-108.6 -65.2 127.4 -19.9 67.8 41.3 50 53 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.007 39.2-149.1 -53.9 165.5 -19.2 70.8 39.0 51 54 A W - 0 0 45 -42,-2.8 -40,-0.4 2,-0.1 2,-0.2 -0.966 12.1-137.3-142.8 156.4 -21.1 74.0 39.7 52 55 A S S S+ 0 0 115 -2,-0.3 2,-0.0 -42,-0.1 -43,-0.0 -0.636 71.5 46.5-104.2 167.4 -22.6 77.0 38.0 53 56 A G S S- 0 0 55 -2,-0.2 -42,-0.8 2,-0.1 2,-0.3 -0.115 102.2 -65.4 84.0 165.4 -22.2 80.5 39.5 54 57 A V E -b 11 0A 71 -44,-0.1 2,-0.5 -42,-0.1 -42,-0.3 -0.734 47.9-130.1 -90.9 140.7 -18.9 81.8 40.7 55 58 A W E -b 12 0A 69 -44,-1.7 -42,-3.7 -2,-0.3 2,-0.8 -0.792 19.4-123.0 -93.4 130.3 -17.4 80.1 43.8 56 59 A N E +b 13 0A 106 -2,-0.5 3,-0.3 -44,-0.2 -42,-0.2 -0.619 37.7 169.5 -70.3 108.6 -16.3 82.4 46.6 57 60 A A + 0 0 0 -44,-3.6 -29,-2.0 -2,-0.8 -42,-0.3 -0.325 43.5 107.1-117.9 50.1 -12.6 81.5 47.0 58 61 A S S S+ 0 0 37 -31,-0.2 2,-0.4 -44,-0.2 -1,-0.1 0.599 70.6 46.3-102.0 -16.1 -11.8 84.4 49.2 59 62 A T S S- 0 0 88 -31,-0.4 -1,-0.1 -3,-0.3 -32,-0.0 -0.981 87.4 -94.7-137.4 147.4 -11.4 82.7 52.6 60 63 A Y - 0 0 30 -2,-0.4 3,-0.1 -32,-0.1 -2,-0.1 -0.101 45.6-125.1 -50.2 145.8 -9.7 79.7 54.1 61 64 A P - 0 0 14 0, 0.0 25,-0.1 0, 0.0 -1,-0.1 -0.126 36.9 -70.4 -85.1-175.3 -11.9 76.5 54.3 62 65 A N - 0 0 54 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.354 47.7-120.6 -71.3 160.8 -12.7 74.4 57.3 63 66 A N E -n 87 0D 4 23,-2.1 25,-2.6 -3,-0.1 27,-0.1 -0.697 36.2 -98.4 -96.8 154.6 -10.0 72.2 58.8 64 67 A a E -n 88 0D 4 56,-0.4 2,-0.4 -2,-0.3 25,-0.2 -0.390 46.6 -86.8 -73.2 153.8 -10.6 68.5 58.9 65 68 A Q S S+ 0 0 29 23,-0.7 82,-0.4 22,-0.1 2,-0.3 -0.457 70.9 149.2 -62.1 119.0 -11.8 66.8 62.1 66 69 A Q - 0 0 3 -2,-0.4 2,-0.2 -3,-0.1 53,-0.2 -0.944 53.2 -80.2-150.6 167.2 -8.7 66.0 64.1 67 70 A Y - 0 0 79 51,-1.2 2,-0.6 -2,-0.3 53,-0.2 -0.465 44.9-145.3 -65.2 131.9 -7.1 65.6 67.5 68 71 A V - 0 0 41 -2,-0.2 2,-0.3 14,-0.1 14,-0.1 -0.920 11.5-127.9-111.5 122.3 -6.2 69.0 68.9 69 72 A D + 0 0 22 -2,-0.6 13,-0.1 9,-0.2 12,-0.1 -0.494 36.3 161.9 -72.2 123.2 -3.1 69.3 71.0 70 73 A E + 0 0 131 -2,-0.3 -1,-0.1 3,-0.1 9,-0.0 -0.040 38.8 114.5-124.6 23.9 -3.7 70.9 74.5 71 74 A Q S S+ 0 0 116 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.923 93.3 25.4 -60.2 -41.7 -0.5 69.8 76.2 72 75 A F S > S- 0 0 33 3,-0.1 3,-2.3 -3,-0.1 -1,-0.3 -0.584 89.8-153.8-124.4 68.8 0.6 73.4 76.4 73 76 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.089 78.9 3.6 -44.1 126.3 -2.7 75.5 76.3 74 77 A G T 3 S+ 0 0 67 1,-0.2 2,-0.2 2,-0.1 -4,-0.0 0.129 93.4 133.5 82.9 -22.6 -2.0 79.0 75.0 75 78 A F X> - 0 0 40 -3,-2.3 4,-2.4 1,-0.1 3,-0.7 -0.430 51.5-146.1 -66.4 129.8 1.7 78.3 74.1 76 79 A S H 3> S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.901 92.3 68.1 -62.7 -42.7 2.6 79.6 70.6 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.780 116.9 23.1 -48.6 -33.3 5.1 76.8 70.1 78 81 A S H X> S+ 0 0 1 -3,-0.7 3,-1.4 -6,-0.3 4,-0.7 0.743 115.6 61.8-108.6 -25.7 2.3 74.2 70.0 79 82 A E H 3< S+ 0 0 67 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.793 89.0 72.3 -72.9 -21.3 -0.8 76.2 69.1 80 83 A M T 3< S+ 0 0 51 -4,-2.1 46,-0.4 1,-0.2 -1,-0.3 0.648 101.2 47.6 -64.2 -13.4 0.8 77.2 65.7 81 84 A W T <4 S+ 0 0 58 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.719 92.8 93.0 -99.0 -24.1 0.2 73.6 64.7 82 85 A N S < S- 0 0 13 -4,-0.7 -14,-0.1 -3,-0.4 39,-0.1 -0.163 95.0 -81.8 -65.9 158.9 -3.4 73.2 65.9 83 86 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.412 37.3-168.4 -64.2 138.0 -6.3 73.9 63.5 84 87 A N + 0 0 55 -3,-0.1 2,-0.2 2,-0.1 -2,-0.0 0.189 69.0 59.1-113.5 15.4 -7.0 77.6 63.2 85 88 A R S S- 0 0 108 1,-0.0 2,-0.3 39,-0.0 -23,-0.1 -0.621 104.8 -72.7-125.6-175.9 -10.3 77.2 61.4 86 89 A E - 0 0 153 -2,-0.2 -23,-2.1 -25,-0.1 2,-0.3 -0.650 51.2-121.9 -85.8 136.1 -13.4 75.5 62.4 87 90 A M E +n 63 0D 54 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.623 44.1 153.3 -81.3 140.4 -13.1 71.7 62.3 88 91 A S E -n 64 0D 32 -25,-2.6 -23,-0.7 -2,-0.3 0, 0.0 -0.983 53.9-125.0-157.0 160.2 -15.5 69.8 60.1 89 92 A E S S+ 0 0 29 -2,-0.3 2,-1.4 -25,-0.2 3,-0.2 0.659 104.1 76.3 -81.0 -15.8 -15.8 66.6 58.1 90 93 A D + 0 0 45 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.773 64.2 117.4 -94.5 90.4 -16.5 68.7 55.1 91 94 A a + 0 0 2 -2,-1.4 2,-1.9 -30,-0.1 -1,-0.2 0.299 17.9 124.7-142.0 6.9 -12.9 69.8 54.7 92 95 A L + 0 0 1 -3,-0.2 -60,-1.4 -59,-0.1 -59,-1.1 -0.482 42.9 127.1 -79.7 80.9 -11.6 68.6 51.3 93 96 A Y E -D 31 0B 24 -2,-1.9 2,-0.3 -62,-0.2 29,-0.1 -0.911 42.1-152.4-131.8 157.5 -10.4 71.9 49.9 94 97 A L E -D 30 0B 0 -64,-2.5 -64,-1.8 -2,-0.3 2,-0.3 -0.873 10.7-140.4-125.9 160.9 -7.2 73.2 48.3 95 98 A N E - E 0 142B 0 47,-2.8 47,-1.7 -2,-0.3 2,-0.4 -0.907 9.0-156.9-122.7 149.1 -5.7 76.8 48.2 96 99 A I E -DE 27 141B 0 -69,-2.0 -69,-3.0 -2,-0.3 2,-0.7 -0.980 8.1-166.4-132.2 126.8 -3.9 78.5 45.4 97 100 A W E -DE 26 140B 6 43,-2.6 43,-2.2 -2,-0.4 -71,-0.2 -0.917 18.3-171.1-110.1 107.4 -1.5 81.5 45.5 98 101 A V E -D 25 0B 1 -73,-0.9 -73,-2.2 -2,-0.7 41,-0.1 -0.830 22.8-118.7-101.2 127.8 -1.0 82.9 42.0 99 102 A P - 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