==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-12 4B0P . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WANDHAMMER,M.DE KONING,M.VAN GROL,D.NOORT,M.GOELDNER,F.NAC . 528 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.9 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 . 41 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 25.8 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 1 1 1 2 0 3 1 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 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 0 3 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 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 3 A D 0 0 171 0, 0.0 2,-0.5 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 118.9 19.2 36.3 51.4 2 4 A I + 0 0 49 11,-0.3 11,-2.3 2,-0.0 2,-0.4 -0.863 360.0 162.4-115.2 123.8 18.8 32.8 50.0 3 5 A I E -A 12 0A 67 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.997 15.7-162.8-136.5 128.5 19.2 29.5 51.9 4 6 A I E -A 11 0A 17 7,-2.0 7,-2.1 -2,-0.4 2,-1.0 -0.965 17.7-134.2-119.3 131.1 17.9 26.1 50.8 5 7 A A E -A 10 0A 72 -2,-0.4 5,-0.3 5,-0.2 2,-0.1 -0.730 28.4-173.6 -84.4 101.2 17.5 23.1 53.0 6 8 A T E > -A 9 0A 12 3,-2.2 3,-0.6 -2,-1.0 173,-0.1 -0.317 43.2 -97.0 -80.2 175.8 19.0 20.1 51.1 7 9 A K T 3 S+ 0 0 164 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.710 126.6 44.9 -70.2 -18.5 18.7 16.6 52.5 8 10 A N T 3 S- 0 0 34 1,-0.4 42,-3.1 41,-0.1 -1,-0.2 0.504 128.5 -65.7-101.5 -8.0 22.2 16.9 53.9 9 11 A G E < -A 6 0A 13 -3,-0.6 -3,-2.2 40,-0.2 -1,-0.4 -0.804 66.9 -44.4 147.0 173.9 21.8 20.3 55.4 10 12 A K E -A 5 0A 101 42,-0.4 44,-2.0 -5,-0.3 2,-0.3 -0.439 48.1-165.8 -69.8 142.5 21.2 24.0 54.7 11 13 A V E -Ab 4 54A 0 -7,-2.1 -7,-2.0 42,-0.2 2,-0.5 -0.970 11.0-141.2-126.2 147.8 23.2 25.7 51.9 12 14 A R E -Ab 3 55A 67 42,-3.3 44,-2.0 -2,-0.3 -9,-0.2 -0.938 20.5-175.0-110.0 130.9 23.7 29.4 51.2 13 15 A G - 0 0 4 -11,-2.3 2,-0.3 -2,-0.5 -11,-0.3 -0.353 16.5-122.9-105.9-171.3 23.7 30.7 47.7 14 16 A M E -C 25 0B 50 11,-2.5 11,-3.0 42,-0.2 2,-0.3 -0.996 17.3-115.2-139.6 149.3 24.3 34.2 46.2 15 17 A Q E -C 24 0B 103 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.572 27.8-162.5 -80.7 139.4 22.4 36.6 43.9 16 18 A L E -C 23 0B 24 7,-2.8 7,-2.0 -2,-0.3 2,-0.8 -0.971 17.4-133.6-122.8 138.5 23.7 37.4 40.5 17 19 A T E +C 22 0B 129 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.820 35.8 166.5 -87.7 111.7 22.8 40.3 38.2 18 20 A V E > -C 21 0B 3 3,-2.1 3,-1.3 -2,-0.8 -2,-0.1 -0.960 64.7 -25.6-131.0 115.8 22.2 38.9 34.7 19 21 A F T 3 S- 0 0 63 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.888 122.9 -49.0 54.9 49.3 20.5 40.9 32.0 20 22 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.624 128.5 81.0 67.8 11.1 18.5 43.2 34.2 21 23 A G E < S-C 18 0B 18 -3,-1.3 -3,-2.1 -5,-0.0 2,-0.4 -0.696 79.0-103.0-131.3-172.2 17.3 40.2 36.2 22 24 A T E -C 17 0B 48 77,-0.4 77,-0.9 -5,-0.2 2,-0.4 -0.930 22.0-175.3-120.9 139.7 18.5 37.9 39.0 23 25 A V E -CD 16 98B 0 -7,-2.0 -7,-2.8 -2,-0.4 2,-0.5 -0.981 21.4-138.1-123.0 142.8 19.9 34.4 38.9 24 26 A T E -CD 15 97B 8 73,-2.8 73,-2.5 -2,-0.4 2,-0.4 -0.901 20.2-160.7-102.2 125.6 20.7 32.6 42.2 25 27 A A E -CD 14 96B 0 -11,-3.0 -11,-2.5 -2,-0.5 2,-0.6 -0.892 17.7-171.7-111.6 135.1 23.9 30.6 42.2 26 28 A F E - D 0 95B 1 69,-2.8 69,-2.9 -2,-0.4 2,-0.5 -0.941 20.2-173.7-116.5 101.5 25.0 27.8 44.5 27 29 A L E +m 57 0C 2 29,-2.2 31,-0.9 -2,-0.6 67,-0.2 -0.865 58.8 11.2-102.6 128.5 28.6 27.2 43.7 28 30 A G E + 0 0 3 -2,-0.5 -1,-0.2 65,-0.5 66,-0.2 0.938 67.0 171.5 78.8 49.4 30.5 24.3 45.2 29 31 A I E - D 0 93B 0 64,-3.0 64,-2.6 -3,-0.3 -1,-0.2 -0.796 33.7-125.9 -85.1 126.1 27.9 22.1 46.9 30 32 A P E + D 0 92B 8 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.495 30.7 175.9 -72.5 143.8 29.6 18.9 48.1 31 33 A Y + 0 0 8 60,-1.7 16,-0.3 1,-0.2 2,-0.3 0.320 63.8 20.0-128.3 5.8 27.8 15.7 46.9 32 34 A A S S- 0 0 2 59,-0.7 -1,-0.2 14,-0.2 14,-0.2 -0.971 90.5 -83.2-161.0 162.1 30.1 13.0 48.2 33 35 A Q - 0 0 72 12,-1.7 12,-0.5 -2,-0.3 14,-0.1 -0.538 62.6 -92.3 -67.1 142.1 32.8 12.5 50.9 34 36 A P - 0 0 44 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.341 38.0-124.9 -51.5 132.2 36.2 13.7 49.6 35 37 A P + 0 0 6 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.456 60.8 139.0 -85.7 69.4 37.8 10.6 48.0 36 38 A L > - 0 0 72 -2,-1.8 3,-2.6 3,-0.1 2,-0.1 -0.658 53.0 -8.4-113.2 163.8 41.0 10.7 50.1 37 39 A G G > S+ 0 0 47 1,-0.3 3,-1.6 -2,-0.2 0, 0.0 -0.333 138.9 7.0 57.1-121.2 43.3 8.3 51.9 38 40 A R G 3 S+ 0 0 196 1,-0.3 -1,-0.3 -2,-0.1 226,-0.0 0.718 129.3 65.1 -62.1 -19.3 41.6 4.8 51.9 39 41 A L G X S+ 0 0 34 -3,-2.6 3,-1.5 -5,-0.1 -1,-0.3 0.538 72.0 115.4 -85.4 -6.7 38.9 6.3 49.6 40 42 A R T < S+ 0 0 13 -3,-1.6 -4,-0.1 1,-0.2 3,-0.1 -0.440 85.7 10.8 -64.2 136.4 41.3 7.0 46.7 41 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.4 1,-0.3 -1,-0.2 0.327 106.1 115.5 75.1 -4.1 40.4 4.9 43.6 42 44 A K S < S- 0 0 38 -3,-1.5 -1,-0.3 118,-0.2 3,-0.1 -0.555 78.5 -91.5 -91.4 159.4 37.1 3.9 45.2 43 45 A K - 0 0 74 115,-0.3 -1,-0.1 -2,-0.2 121,-0.1 -0.331 63.2 -83.9 -56.3 149.8 33.5 4.7 44.0 44 46 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.254 43.0-135.7 -62.0 147.6 32.3 7.9 45.7 45 47 A Q - 0 0 79 -12,-0.5 -12,-1.7 -3,-0.1 -14,-0.0 -0.759 25.6-100.7-102.2 153.0 30.8 7.6 49.2 46 48 A S - 0 0 85 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.299 49.0 -86.8 -73.9 160.6 27.6 9.3 50.2 47 49 A L - 0 0 24 -16,-0.3 -1,-0.1 1,-0.1 3,-0.0 -0.431 20.5-134.8 -81.8 137.7 27.8 12.5 52.3 48 50 A T - 0 0 100 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.829 43.5-129.6 -42.2 -50.7 28.0 12.7 56.1 49 51 A K - 0 0 148 2,-0.0 2,-0.3 -40,-0.0 -40,-0.2 0.265 23.7-144.5 88.5 141.9 25.4 15.5 56.4 50 52 A W - 0 0 49 -42,-3.1 -40,-0.3 2,-0.1 2,-0.2 -0.917 12.0-137.5-135.4 156.2 25.8 18.7 58.4 51 53 A S S S+ 0 0 103 -2,-0.3 -2,-0.0 -42,-0.1 -43,-0.0 -0.529 74.5 44.5 -95.6 179.3 24.2 21.3 60.7 52 54 A D S S- 0 0 110 -2,-0.2 -42,-0.4 2,-0.0 2,-0.3 0.177 103.3 -60.1 63.4 166.6 24.9 25.0 60.2 53 55 A I - 0 0 46 -44,-0.1 2,-0.6 -42,-0.1 -42,-0.2 -0.609 38.7-141.6 -85.3 137.8 24.9 26.5 56.7 54 56 A W E -b 11 0A 83 -44,-2.0 -42,-3.3 -2,-0.3 2,-1.1 -0.882 22.0-133.4 -87.2 123.6 27.3 25.5 54.0 55 57 A N E -b 12 0A 90 -2,-0.6 2,-1.3 -44,-0.2 3,-0.3 -0.671 23.6-177.0 -81.6 99.0 28.4 28.6 52.1 56 58 A A + 0 0 0 -44,-2.0 -29,-2.2 -2,-1.1 -42,-0.2 -0.504 43.9 119.5 -91.0 66.9 28.0 27.7 48.4 57 59 A T B +m 27 0C 52 -2,-1.3 2,-0.3 -31,-0.2 -1,-0.2 0.325 63.7 37.4-122.0 3.6 29.4 31.0 47.3 58 60 A K S S- 0 0 163 -31,-0.9 -1,-0.2 -3,-0.3 0, 0.0 -0.981 90.1 -91.0-151.3 150.4 32.5 30.2 45.2 59 61 A Y - 0 0 38 -2,-0.3 3,-0.1 1,-0.1 -32,-0.1 -0.260 49.0-127.9 -55.3 146.3 33.5 27.5 42.8 60 62 A A - 0 0 18 1,-0.2 62,-0.1 30,-0.1 -1,-0.1 -0.282 37.7 -59.8 -91.1 177.1 35.2 24.6 44.5 61 63 A N - 0 0 44 28,-0.3 2,-0.3 23,-0.1 -1,-0.2 -0.227 50.7-129.4 -47.9 141.0 38.5 22.8 43.9 62 64 A S E -n 86 0D 0 23,-2.3 25,-2.1 -3,-0.1 58,-0.1 -0.656 35.7 -93.1 -87.2 155.9 38.9 21.2 40.5 63 65 A a E -n 87 0D 2 56,-0.3 25,-0.2 -2,-0.3 56,-0.1 -0.412 51.7 -83.7 -72.0 146.2 40.0 17.5 40.5 64 66 A C + 0 0 10 23,-0.8 82,-0.4 -2,-0.1 2,-0.3 -0.159 68.8 143.0 -46.4 134.9 43.7 16.7 40.2 65 67 A Q - 0 0 4 -3,-0.1 2,-0.3 80,-0.1 53,-0.1 -0.960 51.6 -98.3-171.0 155.4 44.9 16.7 36.6 66 68 A N - 0 0 64 51,-0.4 2,-0.5 -2,-0.3 81,-0.0 -0.645 37.8-138.4 -81.1 144.6 47.8 17.6 34.3 67 69 A I - 0 0 55 -2,-0.3 2,-0.2 51,-0.1 14,-0.0 -0.880 15.6-117.6-108.1 130.8 47.5 21.0 32.6 68 70 A D + 0 0 78 -2,-0.5 3,-0.1 1,-0.1 13,-0.1 -0.458 31.3 176.5 -69.8 133.6 48.5 21.5 29.0 69 71 A Q + 0 0 145 -2,-0.2 -1,-0.1 1,-0.1 9,-0.0 -0.031 41.7 116.0-127.7 27.5 51.3 23.9 28.8 70 72 A S S S+ 0 0 60 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.877 89.3 26.8 -65.8 -38.6 51.9 23.9 25.0 71 73 A F S > S- 0 0 38 3,-0.1 3,-2.1 -3,-0.1 7,-0.3 -0.598 80.4-166.5-127.9 71.7 51.0 27.5 24.7 72 74 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.373 78.5 16.7 -61.1 130.6 51.6 29.4 27.9 73 75 A G T 3 S+ 0 0 65 1,-0.2 2,-0.6 -2,-0.1 -4,-0.0 0.380 95.2 124.3 89.6 -2.3 49.9 32.8 28.0 74 76 A F X> - 0 0 30 -3,-2.1 4,-2.8 1,-0.1 3,-0.9 -0.817 52.3-153.7 -99.7 121.4 47.7 31.9 25.0 75 77 A H H 3> S+ 0 0 122 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.808 88.8 67.9 -65.0 -30.0 44.0 32.3 25.7 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.860 117.8 22.4 -58.0 -36.6 42.9 29.7 23.1 77 79 A S H X4 S+ 0 0 6 -3,-0.9 3,-1.7 -6,-0.2 4,-0.5 0.816 119.0 59.1 -98.6 -38.1 44.4 26.9 25.2 78 80 A E H >< S+ 0 0 85 -4,-2.8 3,-1.2 -7,-0.3 -3,-0.2 0.798 88.6 74.1 -67.9 -25.0 44.5 28.5 28.6 79 81 A M T 3< S+ 0 0 29 -4,-2.0 46,-0.3 1,-0.3 -1,-0.3 0.607 98.3 50.5 -60.8 -10.2 40.7 29.0 28.6 80 82 A W T < S+ 0 0 65 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.635 87.6 98.9-102.4 -18.9 40.4 25.2 29.1 81 83 A N S < S- 0 0 36 -3,-1.2 -14,-0.1 -4,-0.5 39,-0.1 -0.396 89.8 -85.3 -70.2 147.7 42.8 24.9 32.1 82 84 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.146 31.5-159.6 -54.8 144.8 41.3 24.6 35.6 83 85 A N S S+ 0 0 86 2,-0.1 2,-0.3 -3,-0.1 -24,-0.1 0.060 71.3 55.3-117.8 20.4 40.5 28.0 37.2 84 86 A T S S- 0 0 34 0, 0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.928 102.9 -69.7-138.3 165.5 40.4 26.8 40.8 85 87 A D - 0 0 126 -2,-0.3 -23,-2.3 1,-0.1 2,-0.4 -0.219 48.1-121.6 -52.6 138.7 43.0 24.9 43.0 86 88 A L E +n 62 0D 54 -25,-0.2 2,-0.3 -4,-0.1 -23,-0.2 -0.712 48.4 150.6 -80.1 136.3 43.6 21.3 42.0 87 89 A S E -n 63 0D 35 -25,-2.1 -23,-0.8 -2,-0.4 0, 0.0 -0.970 57.4-124.5-158.5 157.6 42.8 18.9 44.9 88 90 A E S S+ 0 0 33 -2,-0.3 2,-2.0 -25,-0.2 3,-0.3 0.818 104.7 78.8 -74.1 -31.2 41.6 15.4 45.4 89 91 A D + 0 0 41 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.565 62.6 117.6 -71.4 82.6 38.9 17.0 47.5 90 92 A a + 0 0 1 -2,-2.0 2,-2.0 -30,-0.1 53,-0.2 0.337 19.2 122.3-137.2 3.2 37.0 18.0 44.4 91 93 A L + 0 0 2 -3,-0.3 -60,-1.7 -29,-0.1 -59,-0.7 -0.489 44.8 124.8 -79.3 80.2 33.6 16.2 44.5 92 94 A Y E -D 30 0B 26 -2,-2.0 51,-2.7 -62,-0.2 2,-0.3 -0.909 41.3-155.4-133.6 158.4 31.3 19.3 44.3 93 95 A L E -DE 29 142B 0 -64,-2.6 -64,-3.0 -2,-0.3 -65,-0.5 -0.877 9.3-135.1-130.8 166.8 28.5 20.5 42.1 94 96 A N E - E 0 141B 4 47,-3.5 47,-1.7 -2,-0.3 2,-0.4 -0.943 11.0-161.9-124.2 148.4 27.0 23.9 41.1 95 97 A V E -DE 26 140B 0 -69,-2.9 -69,-2.8 -2,-0.3 2,-0.5 -0.980 5.0-172.4-134.0 121.3 23.4 25.0 40.8 96 98 A W E -DE 25 139B 0 43,-2.8 43,-2.0 -2,-0.4 -71,-0.2 -0.961 13.4-179.4-109.4 121.0 21.9 28.0 38.9 97 99 A I E -D 24 0B 6 -73,-2.5 -73,-2.8 -2,-0.5 41,-0.1 -0.934 27.9-108.8-119.4 145.0 18.2 28.7 39.5 98 100 A P E -D 23 0B 1 0, 0.0 -75,-0.2 0, 0.0 35,-0.1 -0.115 41.6 -95.9 -57.3 161.7 16.1 31.4 38.0 99 101 A A S S+ 0 0 23 -77,-0.9 -77,-0.4 2,-0.1 2,-0.2 -0.999 109.6 40.9-128.8 133.3 14.8 34.4 40.0 100 102 A P S S- 0 0 105 0, 0.0 -76,-0.0 0, 0.0 -1,-0.0 0.602 118.8 -93.1 -65.7 161.7 12.2 34.4 41.2 101 103 A K - 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