==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-SEP-10 2XQG . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WANDHAMMER,E.CARLETTI,E.GILLON,P.MASSON,M.GOELDNER,D.NOORT . 528 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 64.6 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 . 30 5.7 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 25.9 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 2 1 1 2 0 1 1 3 1 0 1 1 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 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 . 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 0 141 0, 0.0 2,-0.7 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 110.9 -36.7 -18.6 -49.9 2 4 A I + 0 0 50 11,-0.3 11,-2.3 2,-0.0 2,-0.4 -0.855 360.0 176.5-110.0 109.9 -33.5 -17.6 -48.2 3 5 A I E -A 12 0A 62 -2,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.938 9.5-164.0-116.4 127.8 -30.2 -17.9 -50.2 4 6 A I E -A 11 0A 20 7,-2.5 7,-2.0 -2,-0.4 2,-0.6 -0.936 15.8-137.3-114.3 130.2 -26.7 -16.8 -49.0 5 7 A A E -A 10 0A 71 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.776 29.2-176.9 -81.4 116.8 -23.7 -16.3 -51.3 6 8 A T E > -A 9 0A 15 3,-1.9 3,-0.6 -2,-0.6 173,-0.1 -0.552 44.2 -97.4-103.9 175.1 -20.6 -17.9 -49.7 7 9 A K T 3 S+ 0 0 154 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.809 127.2 41.3 -60.4 -29.1 -16.9 -17.9 -50.9 8 10 A N T 3 S- 0 0 33 1,-0.3 42,-2.7 41,-0.1 2,-0.2 0.506 127.5 -72.9 -98.3 -6.0 -17.5 -21.4 -52.3 9 11 A G E < -A 6 0A 16 -3,-0.6 -3,-1.9 40,-0.2 -1,-0.3 -0.802 66.0 -35.8 141.6 179.1 -21.0 -20.8 -53.7 10 12 A K E -Ab 5 53A 110 42,-0.7 44,-2.6 -2,-0.2 2,-0.4 -0.382 44.3-165.8 -73.3 144.8 -24.7 -20.3 -53.0 11 13 A V E -Ab 4 54A 0 -7,-2.0 -7,-2.5 42,-0.2 2,-0.4 -0.996 9.2-149.6-131.2 131.6 -26.5 -22.1 -50.1 12 14 A R E -Ab 3 55A 63 42,-2.4 44,-2.7 -2,-0.4 -9,-0.2 -0.843 19.2-170.9 -94.7 133.2 -30.3 -22.4 -49.6 13 15 A G - 0 0 4 -11,-2.3 2,-0.3 -2,-0.4 -11,-0.3 -0.339 16.3-119.8-105.1-170.6 -31.5 -22.6 -46.0 14 16 A M E -C 25 0B 47 11,-2.5 11,-2.7 42,-0.2 2,-0.3 -0.982 19.2-119.2-134.1 149.9 -34.9 -23.3 -44.5 15 17 A Q E -C 24 0B 96 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.662 26.3-165.2 -87.2 143.0 -37.2 -21.3 -42.2 16 18 A L E -C 23 0B 27 7,-2.8 7,-2.5 -2,-0.3 2,-0.5 -0.990 18.1-134.4-127.4 138.4 -38.2 -22.5 -38.7 17 19 A T E +C 22 0B 118 -2,-0.4 2,-0.4 5,-0.2 5,-0.3 -0.761 32.3 169.1 -81.7 123.7 -40.9 -21.4 -36.4 18 20 A V E > -C 21 0B 4 3,-2.2 3,-1.5 -2,-0.5 -2,-0.1 -0.947 66.3 -22.5-140.4 118.1 -39.5 -21.0 -32.9 19 21 A F T 3 S- 0 0 63 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.836 125.6 -48.4 52.5 46.6 -41.5 -19.4 -30.1 20 22 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.632 129.2 77.9 73.2 13.5 -43.7 -17.3 -32.4 21 23 A G E < S-C 18 0B 20 -3,-1.5 -3,-2.2 -5,-0.0 2,-0.4 -0.667 79.0-103.4-131.6-165.3 -40.7 -16.1 -34.4 22 24 A T E -C 17 0B 55 77,-0.4 77,-1.1 -5,-0.3 2,-0.4 -0.960 19.4-169.5-130.4 140.5 -38.5 -17.5 -37.2 23 25 A V E -CD 16 98B 0 -7,-2.5 -7,-2.8 -2,-0.4 2,-0.5 -0.975 19.3-139.2-119.9 139.2 -35.0 -18.9 -37.3 24 26 A T E -CD 15 97B 5 73,-2.6 73,-2.8 -2,-0.4 2,-0.4 -0.906 21.8-164.0 -97.4 129.3 -33.2 -19.7 -40.6 25 27 A A E -CD 14 96B 0 -11,-2.7 -11,-2.5 -2,-0.5 2,-0.6 -0.930 16.4-168.7-118.8 132.9 -31.2 -22.9 -40.5 26 28 A F E - D 0 95B 1 69,-3.2 69,-2.7 -2,-0.4 2,-0.5 -0.951 20.2-174.4-115.6 100.6 -28.6 -24.0 -42.9 27 29 A L E +m 57 0C 3 29,-2.8 31,-1.0 -2,-0.6 67,-0.2 -0.867 58.1 13.2-102.4 135.2 -27.9 -27.6 -42.1 28 30 A G E + 0 0 4 -2,-0.5 -1,-0.2 65,-0.3 66,-0.2 0.927 67.5 167.2 74.0 47.6 -25.1 -29.6 -43.8 29 31 A I E - D 0 93B 0 64,-3.5 64,-2.2 -3,-0.3 -1,-0.2 -0.812 36.6-124.5 -87.9 132.9 -22.9 -27.0 -45.6 30 32 A P E + D 0 92B 10 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.489 30.9 176.5 -77.0 146.9 -19.6 -28.7 -46.6 31 33 A Y + 0 0 6 60,-1.7 16,-0.4 1,-0.2 2,-0.3 0.355 62.8 24.6-129.0 4.8 -16.5 -27.1 -45.4 32 34 A A S S- 0 0 3 59,-0.8 14,-0.2 14,-0.2 -1,-0.2 -0.986 90.2 -80.5-154.4 165.4 -13.8 -29.5 -46.7 33 35 A Q - 0 0 64 12,-2.6 12,-0.4 -2,-0.3 14,-0.1 -0.526 62.9 -95.7 -60.7 134.8 -13.1 -32.1 -49.4 34 36 A P - 0 0 51 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.330 38.2-128.6 -49.7 130.1 -14.6 -35.4 -48.4 35 37 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.422 60.1 133.0 -92.1 68.6 -11.6 -37.2 -46.7 36 38 A L > - 0 0 79 -2,-1.8 3,-2.2 3,-0.1 2,-0.2 -0.695 55.2 -4.8-116.7 159.1 -11.9 -40.5 -48.7 37 39 A G G > S+ 0 0 48 1,-0.3 3,-1.3 -2,-0.2 0, 0.0 -0.400 138.7 6.9 65.9-124.8 -9.6 -42.8 -50.6 38 40 A R G 3 S+ 0 0 206 1,-0.2 -1,-0.3 -2,-0.2 225,-0.0 0.718 131.0 61.0 -60.1 -21.3 -6.1 -41.2 -50.7 39 41 A L G X S+ 0 0 31 -3,-2.2 3,-2.2 -5,-0.1 -1,-0.2 0.604 73.4 116.9 -84.5 -13.5 -7.4 -38.4 -48.3 40 42 A R T < S+ 0 0 11 -3,-1.3 -4,-0.1 1,-0.3 3,-0.1 -0.364 85.5 11.4 -58.5 134.8 -8.3 -40.8 -45.4 41 43 A F T 3 S+ 0 0 1 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.375 108.3 112.4 75.5 -2.0 -6.1 -40.0 -42.3 42 44 A K S < S- 0 0 54 -3,-2.2 -1,-0.3 118,-0.1 3,-0.1 -0.618 80.4 -84.8 -98.9 164.4 -4.8 -36.8 -43.8 43 45 A K - 0 0 74 115,-0.3 -1,-0.1 -2,-0.2 121,-0.1 -0.250 61.7 -88.0 -56.6 147.6 -5.5 -33.2 -42.8 44 46 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.418 44.6-138.8 -65.0 137.9 -8.8 -31.8 -44.3 45 47 A Q - 0 0 73 -12,-0.4 -12,-2.6 -3,-0.1 3,-0.1 -0.746 27.2 -95.6 -99.1 152.1 -8.2 -30.3 -47.7 46 48 A S - 0 0 85 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.274 46.0 -91.8 -75.3 153.3 -9.8 -27.1 -48.7 47 49 A L - 0 0 31 -16,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.422 24.8-140.8 -74.9 134.9 -13.1 -27.1 -50.6 48 50 A T - 0 0 102 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.708 44.6-105.7 -64.4 -35.4 -12.9 -26.9 -54.4 49 51 A K - 0 0 152 -40,-0.0 2,-0.3 -41,-0.0 -40,-0.2 0.032 29.8-142.5 105.1 139.9 -15.9 -24.5 -55.2 50 52 A W - 0 0 38 -42,-2.7 2,-0.4 2,-0.1 -40,-0.1 -0.885 4.5-151.5-131.9 167.6 -19.4 -25.2 -56.6 51 53 A S + 0 0 108 -2,-0.3 2,-0.2 -42,-0.1 -42,-0.1 -0.979 67.7 50.5-146.6 125.6 -21.8 -23.4 -58.9 52 54 A D S S- 0 0 104 -2,-0.4 -42,-0.7 2,-0.0 2,-0.6 -0.642 101.8 -63.0 117.1 171.0 -25.5 -24.1 -58.4 53 55 A I E -b 10 0A 57 -2,-0.2 2,-0.6 -44,-0.1 -42,-0.2 -0.880 43.4-143.9-101.6 118.7 -27.4 -23.8 -55.1 54 56 A W E -b 11 0A 85 -44,-2.6 -42,-2.4 -2,-0.6 2,-0.8 -0.722 17.7-134.6 -81.6 121.7 -26.3 -26.1 -52.4 55 57 A N E -b 12 0A 91 -2,-0.6 2,-0.9 -44,-0.2 3,-0.2 -0.676 23.3-177.5 -84.5 108.6 -29.3 -27.1 -50.5 56 58 A A + 0 0 0 -44,-2.7 -29,-2.8 -2,-0.8 -42,-0.2 -0.524 43.5 118.7-101.5 63.4 -28.5 -26.9 -46.7 57 59 A T B +m 27 0C 55 -2,-0.9 2,-0.3 -31,-0.2 -1,-0.2 0.289 64.1 40.7-122.1 8.3 -31.8 -28.2 -45.6 58 60 A K S S- 0 0 162 -31,-1.0 -1,-0.1 -3,-0.2 -44,-0.0 -0.991 89.8 -90.8-148.3 150.8 -31.1 -31.4 -43.7 59 61 A Y - 0 0 42 -2,-0.3 3,-0.1 63,-0.1 2,-0.1 -0.306 48.1-130.3 -52.3 141.5 -28.4 -32.6 -41.2 60 62 A A - 0 0 19 1,-0.2 62,-0.1 30,-0.1 30,-0.1 -0.351 39.4 -60.3 -86.7 173.6 -25.5 -34.3 -43.1 61 63 A N - 0 0 44 28,-0.3 2,-0.2 -2,-0.1 31,-0.2 -0.280 49.3-129.0 -46.0 133.0 -23.8 -37.6 -42.5 62 64 A S B -n 86 0D 0 23,-1.8 25,-2.0 22,-0.1 58,-0.1 -0.586 37.2 -94.5 -75.9 150.6 -22.2 -38.1 -39.0 63 65 A a - 0 0 2 56,-0.3 25,-0.2 27,-0.2 56,-0.1 -0.315 51.5 -83.6 -62.1 152.4 -18.5 -39.4 -39.1 64 66 A C + 0 0 12 23,-0.4 82,-0.5 22,-0.1 2,-0.3 -0.253 68.6 146.6 -59.0 142.0 -17.8 -43.2 -38.9 65 67 A Q - 0 0 5 -3,-0.1 2,-0.1 80,-0.1 53,-0.1 -0.945 50.4 -97.9-170.5 149.7 -17.8 -44.3 -35.3 66 68 A N - 0 0 58 51,-0.4 2,-0.3 -2,-0.3 206,-0.0 -0.449 43.9-131.7 -66.1 154.5 -18.6 -47.2 -33.0 67 69 A I - 0 0 63 -2,-0.1 2,-0.8 51,-0.1 14,-0.0 -0.838 14.3-108.8-118.8 146.1 -22.0 -46.9 -31.3 68 70 A D + 0 0 44 -2,-0.3 3,-0.2 1,-0.1 13,-0.1 -0.632 42.6 163.1 -72.6 103.5 -23.1 -47.3 -27.6 69 71 A Q + 0 0 153 -2,-0.8 -1,-0.1 1,-0.1 9,-0.0 0.186 42.7 104.8-107.9 15.3 -25.1 -50.7 -27.5 70 72 A S S S+ 0 0 68 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.817 93.0 23.5 -69.0 -30.6 -25.0 -51.2 -23.8 71 73 A F S > S- 0 0 40 -3,-0.2 3,-1.9 3,-0.1 7,-0.3 -0.520 79.4-167.1-132.8 67.8 -28.6 -50.2 -23.3 72 74 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.291 77.5 18.6 -59.7 140.8 -30.6 -50.7 -26.5 73 75 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 2,-0.0 0, 0.0 0.416 96.5 120.3 83.7 -1.4 -34.0 -49.0 -26.4 74 76 A F X> - 0 0 32 -3,-1.9 4,-2.5 1,-0.1 3,-0.8 -0.880 54.6-153.8-106.8 122.2 -33.0 -46.8 -23.5 75 77 A H H 3> S+ 0 0 123 -2,-0.6 4,-2.1 1,-0.3 -1,-0.1 0.769 88.3 70.1 -66.1 -27.9 -33.2 -43.0 -24.1 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.878 117.0 20.7 -61.1 -37.4 -30.5 -42.3 -21.5 77 79 A S H X4 S+ 0 0 1 -3,-0.8 3,-1.8 -6,-0.3 4,-0.4 0.847 121.5 57.5 -95.6 -42.0 -27.8 -43.8 -23.7 78 80 A E H >< S+ 0 0 81 -4,-2.5 3,-1.2 -7,-0.3 -3,-0.2 0.768 88.4 73.4 -64.3 -28.1 -29.4 -43.7 -27.1 79 81 A M T 3< S+ 0 0 29 -4,-2.1 -1,-0.3 1,-0.2 46,-0.3 0.670 99.6 50.8 -54.8 -16.8 -29.9 -39.9 -27.0 80 82 A W T < S+ 0 0 59 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.574 88.4 98.8 -99.6 -16.2 -26.1 -39.7 -27.6 81 83 A N S < S- 0 0 32 -3,-1.2 -14,-0.1 -4,-0.4 39,-0.1 -0.388 90.1 -85.2 -68.3 153.8 -25.9 -42.1 -30.5 82 84 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.286 32.1-163.4 -67.3 142.9 -25.7 -40.6 -34.0 83 85 A N S S+ 0 0 90 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.082 70.6 57.1-117.7 14.3 -29.1 -39.7 -35.7 84 86 A T S S- 0 0 29 1,-0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.950 101.8 -71.2-131.0 162.7 -27.8 -39.4 -39.3 85 87 A D - 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