==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUL-10 2XMG . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.NACHON,E.CARLETTI,M.WANDHAMMER,Y.NICOLET,L.M.SCHOPFER,P.MA . 527 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 63.8 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 . 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 . 34 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.7 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 . 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 1 2 1 1 2 2 0 2 1 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 2 1 1 0 0 1 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 3 A D 0 0 152 0, 0.0 2,-0.5 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 138.2 18.7 -37.4 -50.8 2 4 A I + 0 0 43 11,-0.3 11,-1.5 2,-0.0 2,-0.5 -0.746 360.0 167.9-129.2 86.2 18.1 -34.0 -49.1 3 5 A I E -A 12 0A 67 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.839 10.4-170.8-102.1 130.3 18.2 -30.8 -51.1 4 6 A I E -A 11 0A 23 7,-2.4 7,-2.4 -2,-0.5 2,-0.7 -0.924 19.2-134.8-111.0 140.3 17.1 -27.4 -49.7 5 7 A A E -A 10 0A 63 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.869 27.0-178.2 -98.2 107.9 16.7 -24.4 -51.9 6 8 A T - 0 0 13 3,-2.0 3,-0.1 -2,-0.7 173,-0.1 -0.304 44.5 -94.7 -88.1 178.0 18.2 -21.1 -50.3 7 9 A K S S+ 0 0 133 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.896 127.3 41.5 -61.2 -43.0 18.2 -17.5 -51.7 8 10 A N S S- 0 0 40 1,-0.3 42,-2.2 41,-0.1 2,-0.3 0.577 128.2 -84.3 -84.7 -12.0 21.8 -18.0 -53.2 9 11 A G - 0 0 13 40,-0.1 -3,-2.0 -3,-0.1 -1,-0.3 -0.853 64.2 -20.6 143.6-168.0 21.0 -21.5 -54.4 10 12 A K E -A 5 0A 115 42,-0.3 44,-2.2 -2,-0.3 2,-0.4 -0.385 42.7-171.0 -78.4 140.8 20.8 -25.1 -53.6 11 13 A V E -Ab 4 54A 0 -7,-2.4 -7,-2.4 42,-0.2 2,-0.4 -0.997 9.9-151.5-128.9 137.0 22.5 -27.0 -50.7 12 14 A R E -Ab 3 55A 67 42,-2.6 44,-2.4 -2,-0.4 -9,-0.2 -0.898 17.6-176.4-103.1 135.4 22.8 -30.7 -50.1 13 15 A G - 0 0 5 -11,-1.5 -11,-0.3 -2,-0.4 2,-0.3 -0.323 18.9-115.9-109.6-164.9 23.1 -32.1 -46.5 14 16 A M E -C 25 0B 50 11,-2.2 11,-2.4 42,-0.2 2,-0.4 -0.960 18.2-119.8-134.9 158.7 23.6 -35.6 -44.9 15 17 A Q E -C 24 0B 103 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.816 27.1-163.8 -97.2 138.7 21.5 -37.8 -42.6 16 18 A L E -C 23 0B 40 7,-2.5 7,-1.8 -2,-0.4 2,-0.4 -0.969 18.6-128.9-121.4 136.4 22.9 -38.8 -39.2 17 19 A T E +C 22 0B 122 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.690 35.1 169.6 -79.1 129.5 21.9 -41.6 -36.8 18 20 A V E > -C 21 0B 6 3,-1.5 3,-2.4 -2,-0.4 -2,-0.0 -0.941 62.9 -29.3-144.3 118.8 21.4 -40.2 -33.3 19 21 A F T 3 S- 0 0 71 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.875 123.4 -46.1 37.9 58.7 19.8 -42.1 -30.4 20 22 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.420 129.6 65.9 74.6 -2.3 17.5 -44.2 -32.5 21 23 A G E < S-C 18 0B 16 -3,-2.4 -3,-1.5 -5,-0.0 2,-0.3 -0.366 79.9 -99.3-126.2-146.3 16.2 -41.4 -34.7 22 24 A T E -CD 17 99B 54 77,-0.5 77,-0.9 -5,-0.2 2,-0.3 -0.988 17.8-165.7-150.2 143.7 17.7 -39.1 -37.3 23 25 A V E -CD 16 98B 0 -7,-1.8 -7,-2.5 -2,-0.3 2,-0.5 -0.986 18.6-136.9-128.5 143.1 19.1 -35.6 -37.8 24 26 A T E -CD 15 97B 7 73,-2.6 73,-3.2 -2,-0.3 2,-0.4 -0.897 23.9-166.0 -98.5 129.4 19.8 -33.7 -41.0 25 27 A A E -CD 14 96B 0 -11,-2.4 -11,-2.2 -2,-0.5 2,-0.5 -0.926 18.2-172.0-117.2 135.6 23.1 -31.7 -41.0 26 28 A F E - D 0 95B 0 69,-2.8 69,-3.1 -2,-0.4 2,-0.5 -0.958 19.4-173.5-120.2 106.3 24.3 -29.0 -43.4 27 29 A L E +eD 57 94B 12 29,-2.2 31,-0.7 -2,-0.5 67,-0.2 -0.907 59.3 11.3-109.4 128.1 27.9 -28.4 -42.5 28 30 A G E + 0 0 4 65,-0.7 -1,-0.2 -2,-0.5 66,-0.2 0.945 66.3 169.9 75.0 50.9 29.9 -25.5 -44.2 29 31 A I E - D 0 93B 0 64,-2.7 64,-3.1 -3,-0.3 -1,-0.2 -0.827 38.2-119.9 -82.3 132.0 27.3 -23.4 -46.0 30 32 A P E + D 0 92B 11 0, 0.0 62,-0.3 0, 0.0 3,-0.1 -0.503 31.8 179.4 -70.9 141.5 29.1 -20.2 -47.2 31 33 A Y + 0 0 10 60,-2.1 16,-0.3 -2,-0.2 2,-0.3 0.469 59.9 16.8-124.1 -0.7 27.6 -17.0 -45.9 32 34 A A S S- 0 0 3 59,-0.8 14,-0.2 14,-0.2 -1,-0.2 -0.970 90.5 -74.3-154.2 167.4 29.9 -14.2 -47.3 33 35 A Q - 0 0 50 12,-2.7 12,-0.3 -2,-0.3 14,-0.1 -0.521 65.4-102.1 -56.3 126.5 32.5 -13.4 -50.0 34 36 A P - 0 0 46 0, 0.0 2,-1.7 0, 0.0 55,-0.2 -0.347 35.0-124.2 -54.7 139.9 35.7 -15.0 -48.8 35 37 A P + 0 0 6 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.353 57.8 143.1 -90.1 63.4 37.6 -12.1 -47.3 36 38 A L > - 0 0 78 -2,-1.7 3,-2.9 3,-0.1 4,-0.1 -0.527 55.0 -21.4-104.5 163.8 40.8 -12.5 -49.3 37 39 A G G > S+ 0 0 43 1,-0.3 3,-2.0 2,-0.2 227,-0.0 -0.136 136.5 18.9 47.2-118.4 43.4 -10.2 -50.9 38 40 A R G 3 S+ 0 0 171 1,-0.3 -1,-0.3 3,-0.1 225,-0.0 0.710 128.4 55.5 -49.8 -23.7 41.8 -6.7 -51.5 39 41 A L G X S+ 0 0 23 -3,-2.9 3,-1.3 -5,-0.1 -1,-0.3 0.455 74.8 124.7 -97.2 -0.8 39.0 -7.7 -48.9 40 42 A R T < S+ 0 0 12 -3,-2.0 -4,-0.1 1,-0.3 3,-0.1 -0.420 84.9 5.9 -62.2 134.1 41.3 -8.5 -46.0 41 43 A F T 3 S+ 0 0 1 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.210 107.0 115.0 71.7 -12.3 40.4 -6.4 -42.9 42 44 A K S < S- 0 0 38 -3,-1.3 -1,-0.3 118,-0.1 117,-0.1 -0.350 79.2 -87.2 -79.7 167.2 37.4 -5.0 -44.7 43 45 A K - 0 0 68 115,-0.3 2,-0.4 1,-0.1 -1,-0.1 -0.243 58.7 -83.8 -65.8 163.1 33.8 -5.7 -43.5 44 46 A P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.608 46.8-148.7 -77.9 131.0 32.2 -8.9 -44.9 45 47 A Q - 0 0 75 -2,-0.4 -12,-2.7 -12,-0.3 2,-0.1 -0.639 25.8 -88.3-101.7 158.5 30.7 -8.4 -48.4 46 48 A S - 0 0 93 -2,-0.2 -14,-0.2 -14,-0.2 -1,-0.1 -0.334 49.2 -89.5 -79.4 147.5 27.6 -10.3 -49.7 47 49 A L - 0 0 37 -16,-0.3 -1,-0.1 1,-0.1 -14,-0.0 -0.214 20.1-137.9 -67.8 131.0 27.7 -13.6 -51.6 48 50 A T - 0 0 113 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 0.842 47.0-133.9 -54.6 -41.5 28.1 -13.8 -55.4 49 51 A K - 0 0 128 2,-0.0 2,-0.3 -40,-0.0 -40,-0.1 0.240 22.0-132.8 96.8 144.3 25.5 -16.5 -55.6 50 52 A W - 0 0 53 -42,-2.2 2,-0.3 2,-0.1 -40,-0.1 -0.763 14.7-143.0-135.3 169.2 25.5 -19.8 -57.4 51 53 A S S S+ 0 0 113 -2,-0.3 -2,-0.0 -42,-0.1 -42,-0.0 -0.799 70.5 43.4-118.0 165.2 24.0 -22.5 -59.6 52 54 A D S S- 0 0 131 -2,-0.3 2,-0.5 2,-0.1 -42,-0.3 0.062 100.2 -61.2 72.1 165.2 24.5 -26.3 -59.1 53 55 A I - 0 0 49 -44,-0.1 2,-0.5 -42,-0.1 -42,-0.2 -0.702 41.3-145.4 -87.3 121.8 24.3 -28.0 -55.8 54 56 A W E -b 11 0A 90 -44,-2.2 -42,-2.6 -2,-0.5 2,-0.9 -0.786 19.0-133.3 -80.0 126.1 26.7 -27.0 -53.1 55 57 A N E -b 12 0A 90 -2,-0.5 2,-1.2 -44,-0.2 3,-0.3 -0.734 21.9-174.9 -83.6 99.7 27.6 -30.1 -51.0 56 58 A A + 0 0 0 -44,-2.4 -29,-2.2 -2,-0.9 -42,-0.2 -0.522 45.1 119.3 -94.3 67.8 27.3 -29.0 -47.3 57 59 A T B +e 27 0B 54 -2,-1.2 2,-0.3 -31,-0.2 -1,-0.2 0.466 61.9 38.1-119.9 -9.3 28.6 -32.4 -46.1 58 60 A K S S- 0 0 168 -31,-0.7 -1,-0.1 -3,-0.3 0, 0.0 -0.960 90.7 -88.6-137.2 158.7 31.8 -31.8 -44.1 59 61 A Y - 0 0 57 -2,-0.3 2,-0.2 63,-0.1 3,-0.1 -0.335 47.9-127.0 -60.6 147.7 33.0 -29.0 -41.7 60 62 A A - 0 0 19 1,-0.2 62,-0.2 30,-0.1 -32,-0.1 -0.527 38.1 -62.2 -91.1 164.5 34.7 -26.0 -43.5 61 63 A N - 0 0 46 28,-0.2 2,-0.2 -2,-0.2 25,-0.2 -0.060 50.2-130.0 -27.5 125.8 38.1 -24.3 -42.9 62 64 A S E -n 86 0C 0 23,-2.4 25,-1.7 22,-0.2 3,-0.1 -0.614 36.4 -91.6 -79.9 153.0 38.5 -22.7 -39.5 63 65 A a E -n 87 0C 3 56,-0.2 25,-0.2 -2,-0.2 56,-0.1 -0.342 52.9 -82.5 -65.3 144.5 39.7 -19.0 -39.4 64 66 A C + 0 0 15 23,-0.5 82,-0.4 22,-0.1 2,-0.3 -0.175 67.6 153.4 -45.1 128.8 43.5 -18.3 -39.3 65 67 A Q - 0 0 6 -3,-0.1 2,-0.2 82,-0.0 53,-0.1 -0.978 47.9-105.0-163.1 150.1 44.7 -18.4 -35.6 66 68 A N - 0 0 56 51,-0.4 2,-0.4 -2,-0.3 51,-0.0 -0.483 43.8-130.2 -70.0 143.9 47.6 -19.0 -33.3 67 69 A I - 0 0 69 -2,-0.2 2,-0.7 14,-0.1 14,-0.1 -0.804 12.4-113.3-104.4 141.3 47.5 -22.4 -31.6 68 70 A D + 0 0 45 -2,-0.4 3,-0.1 9,-0.1 13,-0.1 -0.608 41.0 165.8 -65.7 110.1 47.8 -23.3 -27.9 69 71 A Q + 0 0 156 -2,-0.7 -1,-0.1 1,-0.1 9,-0.0 0.032 41.8 103.8-115.4 26.3 51.1 -25.3 -27.7 70 72 A S S S+ 0 0 68 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.825 92.2 27.3 -78.4 -29.7 51.8 -25.3 -23.9 71 73 A F S > S- 0 0 38 -3,-0.1 3,-2.0 3,-0.1 6,-0.2 -0.311 78.9-170.6-125.7 58.6 50.6 -29.0 -23.3 72 74 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.161 75.6 21.0 -54.3 135.0 51.1 -30.9 -26.5 73 75 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 2,-0.0 0, 0.0 0.359 95.7 121.9 91.5 0.6 49.6 -34.4 -26.4 74 76 A F X> - 0 0 33 -3,-2.0 4,-2.6 1,-0.1 3,-1.0 -0.844 53.1-155.1-106.6 122.7 47.2 -33.4 -23.6 75 77 A H H 3> S+ 0 0 127 -2,-0.5 4,-1.8 1,-0.3 -1,-0.1 0.838 88.6 68.5 -64.7 -35.9 43.5 -33.7 -24.2 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.767 117.8 21.6 -55.6 -31.6 42.5 -31.0 -21.7 77 79 A S H X4 S+ 0 0 0 -3,-1.0 3,-1.5 -6,-0.2 4,-0.3 0.738 116.5 60.5-110.0 -31.6 44.0 -28.3 -23.9 78 80 A E H >< S+ 0 0 87 -4,-2.6 3,-1.2 1,-0.3 -3,-0.2 0.763 88.4 76.3 -70.0 -19.2 44.1 -29.8 -27.4 79 81 A M T 3< S+ 0 0 32 -4,-1.8 -1,-0.3 1,-0.2 46,-0.3 0.665 95.5 50.4 -61.4 -15.7 40.3 -30.1 -27.3 80 82 A W T < S+ 0 0 68 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.530 89.3 97.8-100.7 -11.6 40.1 -26.4 -27.9 81 83 A N S < S- 0 0 30 -3,-1.2 -14,-0.1 -4,-0.3 39,-0.1 -0.547 87.5 -88.8 -75.5 146.0 42.5 -26.3 -30.9 82 84 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.070 27.8-162.2 -54.6 151.4 40.9 -26.3 -34.5 83 85 A N S S+ 0 0 87 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 -0.115 70.6 59.3-137.4 27.2 40.1 -29.6 -36.2 84 86 A T S S- 0 0 32 0, 0.0 -22,-0.2 0, 0.0 -24,-0.1 -0.930 100.9 -75.9-138.9 154.4 39.9 -28.3 -39.8 85 87 A D - 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