==== 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 2XMC . 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) . 21317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 64.3 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 . 1 0.2 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 . 37 7.0 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 . 137 26.0 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 3 1 1 2 0 1 1 3 1 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 1 2 1 0 1 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 . 0 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 0 155 0, 0.0 2,-0.4 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 130.6 18.8 -37.2 -50.6 2 4 A I + 0 0 67 11,-0.2 11,-1.6 2,-0.0 2,-0.4 -0.859 360.0 174.0-152.9 95.0 17.8 -33.9 -49.1 3 5 A I E -A 12 0A 54 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.855 11.6-160.5-122.2 135.4 18.2 -30.4 -50.6 4 6 A I E -A 11 0A 21 7,-2.6 7,-2.4 -2,-0.4 2,-0.7 -0.924 16.1-134.0-120.9 138.3 17.1 -27.0 -49.5 5 7 A A E -A 10 0A 65 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.815 27.6-176.6 -91.8 114.2 16.7 -23.8 -51.6 6 8 A T E > -A 9 0A 12 3,-2.2 3,-0.7 -2,-0.7 173,-0.1 -0.404 45.2 -96.1 -96.0 177.9 18.2 -20.7 -50.0 7 9 A K T 3 S+ 0 0 133 1,-0.2 3,-0.1 -2,-0.1 42,-0.1 0.906 128.9 41.6 -60.4 -38.6 18.1 -17.1 -51.3 8 10 A N T 3 S- 0 0 39 1,-0.3 42,-2.5 41,-0.1 -1,-0.2 0.363 127.6 -82.3 -91.7 2.0 21.7 -17.7 -52.8 9 11 A G E < -A 6 0A 17 -3,-0.7 -3,-2.2 40,-0.2 -1,-0.3 -0.711 65.0 -25.0 132.0-174.0 20.9 -21.2 -54.2 10 12 A K E -Ab 5 53A 107 42,-0.7 44,-2.6 40,-0.3 2,-0.4 -0.464 44.1-170.8 -79.1 137.6 20.6 -24.9 -53.3 11 13 A V E -Ab 4 54A 0 -7,-2.4 -7,-2.6 42,-0.2 2,-0.4 -0.995 11.5-147.0-126.9 133.7 22.5 -26.6 -50.5 12 14 A R E -Ab 3 55A 69 42,-2.8 44,-2.0 -2,-0.4 -9,-0.2 -0.789 18.7-172.7 -93.9 137.7 22.7 -30.4 -49.9 13 15 A G - 0 0 7 -11,-1.6 2,-0.3 -2,-0.4 13,-0.2 -0.171 16.3-115.5-107.7-153.1 22.9 -31.8 -46.3 14 16 A M E -C 25 0B 67 11,-1.4 11,-2.3 42,-0.1 2,-0.2 -0.991 17.9-117.9-154.8 139.7 23.5 -35.2 -44.6 15 17 A Q E -C 24 0B 100 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.564 28.5-167.8 -79.2 140.4 21.5 -37.6 -42.4 16 18 A L E -C 23 0B 33 7,-2.0 7,-1.9 -2,-0.2 2,-0.6 -0.990 17.8-134.3-128.3 140.2 22.8 -38.4 -39.0 17 19 A T E +C 22 0B 123 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.803 32.0 168.5 -92.5 129.2 21.7 -41.1 -36.6 18 20 A V E > -C 21 0B 3 3,-2.0 3,-1.5 -2,-0.6 -2,-0.1 -0.965 64.5 -23.9-143.6 123.6 21.3 -39.9 -33.1 19 21 A F T 3 S- 0 0 60 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.883 124.9 -48.6 37.8 58.1 19.6 -41.8 -30.3 20 22 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.693 128.2 77.9 66.4 21.2 17.5 -44.0 -32.5 21 23 A G E < S-C 18 0B 17 -3,-1.5 -3,-2.0 -5,-0.0 2,-0.4 -0.708 77.6-100.0-143.3-169.5 16.3 -41.0 -34.6 22 24 A T E -CD 17 99B 48 77,-0.5 77,-1.2 -5,-0.2 2,-0.3 -0.968 20.9-174.8-131.0 142.0 17.6 -38.7 -37.3 23 25 A V E -CD 16 98B 0 -7,-1.9 -7,-2.0 -2,-0.4 2,-0.5 -0.991 20.6-138.1-126.7 138.9 19.0 -35.2 -37.6 24 26 A T E -CD 15 97B 5 73,-2.3 73,-2.8 -2,-0.3 2,-0.5 -0.860 21.6-163.3 -97.6 127.7 19.9 -33.4 -40.8 25 27 A A E -CD 14 96B 0 -11,-2.3 -11,-1.4 -2,-0.5 2,-0.6 -0.931 15.2-168.5-116.4 130.7 23.2 -31.4 -40.7 26 28 A F E - D 0 95B 1 69,-3.3 69,-3.1 -2,-0.5 2,-0.5 -0.951 19.9-172.8-116.3 105.1 24.2 -28.7 -43.1 27 29 A L E +m 57 0C 14 29,-2.6 31,-1.0 -2,-0.6 67,-0.2 -0.868 57.3 7.9-106.1 125.0 27.9 -28.2 -42.4 28 30 A G E + 0 0 3 -2,-0.5 -1,-0.2 65,-0.4 66,-0.2 0.960 66.4 170.3 76.4 51.1 29.8 -25.4 -43.9 29 31 A I E - D 0 93B 0 64,-3.4 64,-2.7 -3,-0.3 -1,-0.2 -0.832 35.8-122.6 -88.7 131.0 27.4 -23.1 -45.8 30 32 A P E + D 0 92B 10 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.434 30.0 179.1 -74.3 150.8 29.1 -19.9 -46.9 31 33 A Y + 0 0 10 60,-1.9 16,-0.3 1,-0.3 2,-0.3 0.436 60.9 17.5-129.5 0.7 27.5 -16.7 -45.7 32 34 A A S S- 0 0 3 59,-0.7 -1,-0.3 14,-0.2 14,-0.2 -0.973 91.3 -73.6-158.0 166.1 29.8 -13.9 -47.1 33 35 A Q - 0 0 76 12,-2.4 12,-0.4 -2,-0.3 14,-0.1 -0.493 64.0 -94.2 -61.2 133.0 32.4 -13.2 -49.7 34 36 A P - 0 0 47 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.263 39.0-129.4 -47.4 125.3 35.7 -14.8 -48.8 35 37 A P + 0 0 5 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.338 61.0 130.6 -84.3 57.6 37.5 -11.8 -47.0 36 38 A L > + 0 0 79 -2,-1.8 3,-1.6 3,-0.1 2,-0.3 -0.666 53.8 0.0-108.9 161.9 40.7 -12.0 -49.0 37 39 A G G > S+ 0 0 51 1,-0.3 3,-1.2 -2,-0.2 0, 0.0 -0.504 136.9 4.8 68.7-121.0 43.0 -9.6 -51.0 38 40 A R G 3 S+ 0 0 193 -2,-0.3 -1,-0.3 1,-0.2 225,-0.0 0.552 129.9 65.4 -70.4 -7.8 41.6 -6.0 -50.9 39 41 A L G X + 0 0 32 -3,-1.6 3,-1.7 -5,-0.1 -1,-0.2 0.567 69.0 117.5 -95.9 -9.6 38.9 -7.3 -48.5 40 42 A R T < S+ 0 0 15 -3,-1.2 -4,-0.1 1,-0.2 3,-0.1 -0.405 86.2 11.6 -54.4 126.2 41.2 -8.2 -45.6 41 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.4 1,-0.3 -1,-0.2 0.264 106.1 114.4 85.9 -8.4 40.3 -6.0 -42.5 42 44 A K S < S- 0 0 52 -3,-1.7 -1,-0.3 118,-0.2 117,-0.1 -0.535 78.9 -88.5 -86.2 159.5 37.0 -4.8 -44.1 43 45 A K - 0 0 75 115,-0.3 2,-0.2 -2,-0.2 -1,-0.1 -0.215 61.4 -85.4 -50.2 151.8 33.5 -5.5 -43.0 44 46 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.481 43.9-141.2 -69.3 137.9 32.0 -8.8 -44.6 45 47 A Q - 0 0 76 -12,-0.4 -12,-2.4 -2,-0.2 -6,-0.0 -0.717 25.0 -97.9-100.6 155.0 30.5 -8.3 -48.1 46 48 A S - 0 0 97 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.251 42.7-100.7 -77.5 159.8 27.3 -10.1 -49.2 47 49 A L - 0 0 36 -16,-0.3 2,-0.3 -15,-0.1 -1,-0.1 -0.571 22.9-126.3 -91.4 138.0 27.4 -13.3 -51.3 48 50 A T - 0 0 88 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.634 40.7 -97.9 -75.8 133.0 26.9 -13.7 -55.0 49 51 A K - 0 0 161 -2,-0.3 2,-0.4 -42,-0.1 -40,-0.2 -0.136 36.2-151.4 -41.0 131.0 24.2 -16.2 -56.0 50 52 A W - 0 0 33 -42,-2.5 2,-0.5 2,-0.1 -40,-0.3 -0.949 10.8-155.9-107.6 136.5 25.4 -19.7 -57.1 51 53 A S + 0 0 121 -2,-0.4 2,-0.2 -42,-0.1 -42,-0.1 -0.982 66.3 81.0-100.5 130.4 23.6 -22.0 -59.5 52 54 A D S S- 0 0 108 -2,-0.5 2,-0.8 2,-0.1 -42,-0.7 -0.752 91.1 -92.0 145.4 146.8 24.9 -25.3 -58.3 53 55 A I E -b 10 0A 62 -2,-0.2 2,-0.4 -44,-0.1 -42,-0.2 -0.908 42.0-148.1 -94.7 105.7 24.2 -27.6 -55.5 54 56 A W E -b 11 0A 79 -44,-2.6 -42,-2.8 -2,-0.8 2,-1.0 -0.629 12.2-134.5 -70.5 128.6 26.5 -26.5 -52.8 55 57 A N E -b 12 0A 88 -2,-0.4 2,-1.5 -44,-0.2 3,-0.3 -0.727 22.7-176.7 -93.9 93.3 27.5 -29.5 -50.7 56 58 A A + 0 0 0 -44,-2.0 -29,-2.6 -2,-1.0 -42,-0.1 -0.445 46.0 116.4 -89.3 64.7 27.2 -28.7 -47.0 57 59 A T B +m 27 0C 54 -2,-1.5 2,-0.3 -31,-0.2 -1,-0.2 0.281 65.1 42.3-120.5 5.2 28.5 -32.1 -45.8 58 60 A K S S- 0 0 163 -31,-1.0 -1,-0.1 -3,-0.3 0, 0.0 -0.986 88.4 -98.4-148.3 143.7 31.8 -31.2 -44.0 59 61 A Y - 0 0 50 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.281 47.2-128.4 -55.3 153.9 32.8 -28.5 -41.5 60 62 A A - 0 0 20 1,-0.2 62,-0.1 24,-0.1 -1,-0.1 -0.335 36.5 -55.1-104.5-179.9 34.6 -25.6 -43.2 61 63 A N - 0 0 45 28,-0.3 2,-0.2 -2,-0.1 -1,-0.2 -0.265 49.6-132.6 -53.6 135.3 37.9 -23.8 -42.7 62 64 A S B -n 86 0D 0 23,-2.1 25,-1.4 22,-0.1 58,-0.1 -0.573 35.9 -95.7 -73.8 154.2 38.4 -22.3 -39.3 63 65 A a - 0 0 3 56,-0.3 25,-0.2 27,-0.2 56,-0.1 -0.422 51.6 -80.3 -69.2 152.2 39.6 -18.6 -39.3 64 66 A C + 0 0 11 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.200 68.8 149.4 -48.9 133.6 43.3 -17.8 -39.0 65 67 A Q - 0 0 6 -3,-0.1 2,-0.1 80,-0.1 53,-0.1 -0.962 49.6-100.8-167.9 149.2 44.5 -17.9 -35.4 66 68 A N - 0 0 62 51,-0.5 2,-0.3 -2,-0.3 206,-0.0 -0.473 43.6-131.8 -69.3 149.3 47.4 -18.7 -33.1 67 69 A I - 0 0 67 -2,-0.1 2,-1.1 14,-0.1 14,-0.1 -0.811 14.8-110.6-111.9 144.1 47.2 -22.1 -31.5 68 70 A D + 0 0 43 -2,-0.3 3,-0.3 1,-0.1 13,-0.1 -0.647 42.2 164.6 -74.2 97.1 47.6 -23.2 -27.8 69 71 A Q + 0 0 158 -2,-1.1 -1,-0.1 1,-0.2 9,-0.0 0.106 42.9 106.6 -95.0 15.5 51.0 -25.1 -27.8 70 72 A S S S+ 0 0 68 1,-0.2 -1,-0.2 7,-0.0 -2,-0.0 0.877 90.3 22.3 -68.6 -39.6 51.4 -25.0 -24.0 71 73 A F S > S- 0 0 40 -3,-0.3 3,-1.9 3,-0.1 7,-0.3 -0.484 80.3-161.6-125.1 69.8 50.6 -28.7 -23.3 72 74 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.147 78.9 17.2 -55.0 136.7 51.2 -30.7 -26.5 73 75 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 2,-0.0 0, 0.0 0.472 95.8 122.8 82.4 1.7 49.4 -34.1 -26.4 74 76 A F X> - 0 0 33 -3,-1.9 4,-2.6 1,-0.1 3,-1.0 -0.895 51.8-156.5-105.0 117.4 47.0 -33.0 -23.6 75 77 A H H 3> S+ 0 0 123 -2,-0.6 4,-1.8 1,-0.2 -1,-0.1 0.751 87.6 71.9 -59.1 -26.7 43.3 -33.3 -24.2 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.891 116.7 18.5 -60.1 -40.1 42.6 -30.6 -21.6 77 79 A S H X4 S+ 0 0 1 -3,-1.0 3,-1.5 -6,-0.3 4,-0.3 0.817 120.4 60.1-100.5 -39.5 44.0 -27.9 -23.8 78 80 A E H >< S+ 0 0 80 -4,-2.6 3,-0.8 -7,-0.3 -3,-0.2 0.692 86.5 74.8 -68.9 -23.7 44.0 -29.4 -27.2 79 81 A M T 3< S+ 0 0 30 -4,-1.8 -1,-0.3 1,-0.2 46,-0.3 0.535 99.1 51.2 -58.9 -9.9 40.1 -29.9 -27.3 80 82 A W T < S+ 0 0 64 -3,-1.5 -1,-0.2 -12,-0.1 -2,-0.2 0.588 87.1 98.4-104.3 -15.8 40.0 -26.1 -27.8 81 83 A N S < S- 0 0 31 -3,-0.8 -14,-0.1 -4,-0.3 39,-0.1 -0.440 90.2 -86.2 -66.0 148.0 42.5 -25.9 -30.7 82 84 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.224 31.2-160.4 -59.3 144.1 40.9 -25.7 -34.2 83 85 A N S S+ 0 0 90 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.090 70.4 57.4-116.1 19.5 40.0 -29.0 -35.9 84 86 A T S S- 0 0 32 1,-0.0 -22,-0.1 0, 0.0 -24,-0.1 -0.945 101.5 -74.2-132.0 159.5 39.7 -27.8 -39.6 85 87 A D - 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