==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-09 2WID . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.CARLETTI,N.AURBEK,E.GILLON,M.LOIODICE,Y.NICOLET, . 527 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 63.2 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.4 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 3 1 1 1 3 0 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 . 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 0 150 0, 0.0 2,-0.6 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 118.8 -36.8 -18.6 -50.0 2 4 A I + 0 0 46 11,-0.4 11,-2.0 2,-0.0 2,-0.5 -0.913 360.0 173.0-121.1 109.9 -33.4 -17.8 -48.4 3 5 A I E -A 12 0A 51 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.940 9.0-168.4-116.7 130.8 -30.2 -18.1 -50.4 4 6 A I E -A 11 0A 16 7,-2.5 7,-2.6 -2,-0.5 2,-0.6 -0.968 18.1-133.5-118.9 134.9 -26.9 -17.0 -49.1 5 7 A A E -A 10 0A 66 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.808 25.5-173.9 -88.7 119.8 -23.8 -16.7 -51.2 6 8 A T E > -A 9 0A 13 3,-2.4 3,-0.9 -2,-0.6 173,-0.1 -0.601 43.5 -99.9 -99.0 168.6 -20.7 -18.2 -49.7 7 9 A K T 3 S+ 0 0 122 1,-0.2 42,-0.2 -2,-0.2 3,-0.1 0.790 126.0 41.9 -54.8 -26.4 -17.1 -18.0 -51.0 8 10 A N T 3 S- 0 0 31 1,-0.4 42,-2.3 41,-0.1 2,-0.2 0.573 128.2 -55.4-101.8 -10.3 -17.7 -21.6 -52.3 9 11 A G E < -A 6 0A 13 -3,-0.9 -3,-2.4 40,-0.2 -1,-0.4 -0.837 66.0 -59.5 153.5 168.1 -21.2 -21.3 -53.7 10 12 A K E -Ab 5 53A 105 42,-0.9 44,-2.2 -5,-0.3 2,-0.4 -0.566 45.2-160.9 -75.1 142.5 -24.8 -20.5 -52.9 11 13 A V E -Ab 4 54A 0 -7,-2.6 -7,-2.5 -2,-0.2 2,-0.4 -0.990 6.9-147.1-127.0 136.1 -26.5 -22.3 -50.1 12 14 A R E -Ab 3 55A 68 42,-3.3 44,-3.0 -2,-0.4 -9,-0.2 -0.869 19.2-172.3 -99.0 133.2 -30.3 -22.6 -49.5 13 15 A G - 0 0 5 -11,-2.0 -11,-0.4 -2,-0.4 2,-0.3 -0.361 16.7-117.5-110.2-168.6 -31.6 -22.9 -45.9 14 16 A M E -C 25 0B 62 11,-2.6 11,-2.6 42,-0.3 2,-0.3 -0.926 19.0-120.5-137.1 155.6 -34.9 -23.6 -44.4 15 17 A Q E -C 24 0B 101 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.763 24.7-167.0-104.1 144.2 -37.2 -21.6 -42.1 16 18 A L E -C 23 0B 36 7,-2.4 7,-2.3 -2,-0.3 2,-0.5 -0.974 19.1-133.0-132.1 144.9 -38.3 -22.6 -38.7 17 19 A T E +C 22 0B 119 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.844 32.1 171.1 -96.1 127.5 -41.0 -21.4 -36.4 18 20 A V E > -C 21 0B 6 3,-2.2 3,-0.8 -2,-0.5 -2,-0.1 -0.923 65.6 -22.0-143.8 114.9 -39.7 -21.0 -32.9 19 21 A F T 3 S- 0 0 66 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.934 126.1 -50.8 48.3 52.8 -41.6 -19.4 -30.0 20 22 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.735 127.7 83.8 61.3 25.6 -43.9 -17.5 -32.4 21 23 A G E < S-C 18 0B 17 -3,-0.8 -3,-2.2 2,-0.0 2,-0.4 -0.733 77.4-100.3-138.5-169.6 -40.9 -16.2 -34.3 22 24 A T E -CD 17 99B 46 77,-0.6 77,-1.5 -5,-0.2 2,-0.4 -0.976 23.4-176.5-129.3 135.8 -38.6 -17.4 -37.1 23 25 A V E -CD 16 98B 0 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.5 -0.972 19.9-140.0-117.4 136.4 -35.1 -18.9 -37.3 24 26 A T E -CD 15 97B 6 73,-2.3 73,-3.1 -2,-0.4 2,-0.5 -0.873 20.1-166.1 -94.4 129.8 -33.3 -19.8 -40.6 25 27 A A E -CD 14 96B 0 -11,-2.6 -11,-2.6 -2,-0.5 2,-0.6 -0.941 15.3-170.3-117.9 129.1 -31.3 -23.1 -40.4 26 28 A F E - D 0 95B 0 69,-2.7 69,-2.2 -2,-0.5 2,-0.4 -0.917 20.3-175.5-116.7 97.8 -28.8 -24.1 -42.9 27 29 A L E +m 57 0C 11 29,-1.6 31,-1.1 -2,-0.6 67,-0.2 -0.819 57.8 17.5 -98.4 130.1 -28.1 -27.7 -41.9 28 30 A G E + 0 0 5 65,-0.5 -1,-0.2 -2,-0.4 66,-0.2 0.871 67.8 166.8 82.2 40.2 -25.4 -29.8 -43.6 29 31 A I E - D 0 93B 0 64,-2.7 64,-2.1 -3,-0.4 2,-0.2 -0.695 36.8-123.2 -79.2 133.3 -23.1 -27.2 -45.4 30 32 A P E + D 0 92B 8 0, 0.0 62,-0.3 0, 0.0 3,-0.1 -0.544 30.5 177.1 -78.0 145.8 -19.9 -28.9 -46.5 31 33 A Y + 0 0 5 60,-2.1 16,-0.3 1,-0.3 2,-0.3 0.416 62.8 21.2-126.5 2.8 -16.7 -27.3 -45.3 32 34 A A S S- 0 0 2 59,-0.8 -1,-0.3 14,-0.2 14,-0.2 -0.989 88.5 -81.4-158.4 159.9 -14.1 -29.6 -46.7 33 35 A Q - 0 0 85 12,-2.2 12,-0.4 -2,-0.3 14,-0.1 -0.358 64.7 -93.7 -53.6 135.0 -13.4 -32.2 -49.4 34 36 A P - 0 0 46 0, 0.0 2,-1.3 0, 0.0 55,-0.1 -0.290 35.3-128.4 -52.5 136.5 -14.7 -35.6 -48.3 35 37 A P + 0 0 7 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.326 58.3 141.4 -92.6 57.9 -11.8 -37.4 -46.6 36 38 A L > - 0 0 79 -2,-1.3 3,-2.3 3,-0.1 2,-0.6 -0.595 55.7 -19.4-100.9 155.0 -12.1 -40.6 -48.7 37 39 A G T 3 S+ 0 0 42 1,-0.3 3,-0.4 -2,-0.2 0, 0.0 -0.367 137.3 15.6 66.2-106.6 -9.7 -43.0 -50.2 38 40 A R T 3 S+ 0 0 170 -2,-0.6 -1,-0.3 1,-0.2 225,-0.0 0.629 128.3 57.7 -73.1 -19.7 -6.3 -41.3 -50.5 39 41 A L S X S+ 0 0 16 -3,-2.3 3,-2.3 -5,-0.1 -2,-0.2 0.567 75.2 119.4 -90.6 -11.5 -7.5 -38.6 -48.1 40 42 A R T 3 S+ 0 0 11 -3,-0.4 -4,-0.1 1,-0.3 3,-0.1 -0.355 85.3 10.6 -58.2 134.2 -8.3 -41.0 -45.3 41 43 A F T 3 S+ 0 0 1 108,-0.5 121,-0.3 1,-0.3 -1,-0.3 0.381 107.6 113.2 70.1 0.4 -6.1 -40.2 -42.3 42 44 A K S < S- 0 0 31 -3,-2.3 -1,-0.3 118,-0.1 3,-0.1 -0.635 78.6 -87.3 -96.1 163.4 -4.9 -36.9 -43.8 43 45 A K - 0 0 76 115,-0.3 -1,-0.1 -2,-0.2 121,-0.1 -0.227 60.5 -86.2 -54.1 148.9 -5.6 -33.4 -42.7 44 46 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.358 43.0-140.7 -61.7 141.6 -8.8 -31.9 -44.2 45 47 A Q - 0 0 70 -12,-0.4 -12,-2.2 -3,-0.1 -6,-0.0 -0.855 25.9-100.4-108.6 140.5 -8.4 -30.3 -47.7 46 48 A S - 0 0 89 -2,-0.4 2,-0.2 -14,-0.2 -14,-0.2 -0.204 38.0-113.5 -67.9 161.0 -10.2 -27.1 -48.6 47 49 A L - 0 0 36 -16,-0.3 2,-0.4 -15,-0.1 -1,-0.1 -0.556 21.7-136.5 -98.7 148.3 -13.3 -27.2 -50.6 48 50 A T - 0 0 109 -2,-0.2 -40,-0.1 1,-0.1 -16,-0.0 -0.900 34.4 -78.7-115.3 142.5 -13.9 -25.9 -54.1 49 51 A K - 0 0 146 -2,-0.4 2,-0.3 -42,-0.2 -40,-0.2 0.316 35.4-169.1 -26.9 142.1 -16.8 -23.9 -55.6 50 52 A W - 0 0 26 -42,-2.3 -40,-0.2 2,-0.2 4,-0.1 -0.837 8.2-156.3-128.7 167.5 -20.1 -25.4 -56.7 51 53 A T + 0 0 120 -2,-0.3 2,-0.2 -42,-0.1 -42,-0.1 0.218 65.8 89.8-169.0 43.7 -22.5 -23.3 -58.7 52 54 A D S S- 0 0 112 -42,-0.1 -42,-0.9 0, 0.0 2,-0.6 0.054 93.1 -96.2 93.9 113.9 -25.1 -24.8 -58.0 53 55 A I E -b 10 0A 60 -2,-0.2 2,-0.3 -44,-0.1 -42,-0.2 -0.905 35.8-146.4-110.7 100.5 -27.4 -24.1 -55.1 54 56 A W E -b 11 0A 84 -44,-2.2 -42,-3.3 -2,-0.6 2,-0.9 -0.506 12.3-136.3 -62.7 119.6 -26.5 -26.4 -52.3 55 57 A N E -b 12 0A 92 -2,-0.3 2,-1.3 -44,-0.2 3,-0.2 -0.735 19.0-172.1 -81.2 102.7 -29.7 -27.3 -50.3 56 58 A A + 0 0 0 -44,-3.0 -29,-1.6 -2,-0.9 -42,-0.3 -0.566 45.4 121.3 -92.6 72.4 -28.7 -27.0 -46.6 57 59 A T B +m 27 0C 56 -2,-1.3 2,-0.3 -31,-0.2 -1,-0.2 0.275 62.7 35.9-128.7 8.5 -32.0 -28.4 -45.5 58 60 A K S S- 0 0 154 -31,-1.1 -1,-0.2 -3,-0.2 0, 0.0 -0.973 87.1 -91.9-156.2 153.6 -31.1 -31.5 -43.5 59 61 A Y - 0 0 51 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.312 47.2-132.1 -59.0 146.4 -28.4 -32.8 -41.1 60 62 A A - 0 0 18 1,-0.2 62,-0.1 30,-0.1 30,-0.1 -0.231 38.1 -58.0 -93.0-178.7 -25.6 -34.5 -42.9 61 63 A N - 0 0 42 28,-0.3 31,-0.2 23,-0.1 25,-0.2 -0.370 48.4-128.6 -58.7 138.5 -23.9 -37.8 -42.2 62 64 A S B -n 86 0D 0 23,-1.7 25,-1.9 22,-0.1 27,-0.1 -0.544 38.7 -95.9 -76.0 155.1 -22.3 -38.3 -38.8 63 65 A a - 0 0 3 56,-0.4 25,-0.2 23,-0.2 56,-0.2 -0.345 51.5 -78.1 -74.1 156.6 -18.6 -39.5 -39.0 64 66 A C S S+ 0 0 12 23,-0.5 82,-0.4 22,-0.1 2,-0.3 -0.202 70.1 143.4 -53.7 136.7 -17.8 -43.2 -38.7 65 67 A Q - 0 0 3 -3,-0.1 2,-0.1 80,-0.1 53,-0.1 -0.946 51.0 -99.9-172.1 150.8 -17.8 -44.4 -35.2 66 68 A N - 0 0 52 51,-0.4 2,-0.3 -2,-0.3 81,-0.0 -0.502 42.5-131.0 -71.2 147.8 -18.7 -47.3 -32.9 67 69 A I - 0 0 65 -2,-0.1 2,-0.6 51,-0.1 -1,-0.1 -0.730 14.6-110.2-103.5 148.2 -22.0 -47.1 -31.0 68 70 A D + 0 0 43 -2,-0.3 3,-0.2 1,-0.1 13,-0.1 -0.697 38.9 168.0 -74.8 115.3 -22.9 -47.6 -27.3 69 71 A Q + 0 0 150 -2,-0.6 -1,-0.1 1,-0.1 9,-0.0 0.091 43.3 106.4-118.5 20.5 -25.0 -50.9 -27.0 70 72 A S S S+ 0 0 61 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.852 91.6 24.4 -62.8 -39.9 -25.0 -51.3 -23.2 71 73 A F S > S- 0 0 35 -3,-0.2 3,-2.7 3,-0.1 7,-0.3 -0.436 78.9-167.1-131.0 61.6 -28.7 -50.3 -22.8 72 74 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.190 79.7 18.4 -50.4 136.7 -30.6 -50.9 -26.0 73 75 A G T 3 S+ 0 0 70 1,-0.2 2,-0.6 2,-0.0 3,-0.1 0.319 95.6 123.7 82.6 -7.1 -34.0 -49.2 -25.9 74 76 A F <> - 0 0 30 -3,-2.7 4,-2.7 1,-0.2 3,-0.5 -0.785 50.8-157.6 -95.3 121.6 -32.9 -46.9 -23.1 75 77 A H H > S+ 0 0 123 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.805 87.3 68.6 -66.5 -31.1 -33.3 -43.2 -23.9 76 78 A G H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.898 116.5 22.0 -55.4 -46.0 -30.7 -42.3 -21.3 77 79 A S H >4 S+ 0 0 2 -3,-0.5 3,-2.0 -6,-0.3 4,-0.4 0.869 122.2 57.0 -87.4 -40.5 -27.9 -43.8 -23.3 78 80 A E H >< S+ 0 0 82 -4,-2.7 3,-1.3 -7,-0.3 -3,-0.2 0.764 88.8 71.7 -69.6 -27.5 -29.4 -43.8 -26.7 79 81 A M T 3< S+ 0 0 34 -4,-2.5 -1,-0.3 1,-0.2 46,-0.3 0.669 98.9 53.8 -56.2 -16.2 -30.1 -40.1 -26.8 80 82 A W T < S+ 0 0 59 -3,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.566 88.2 99.9 -94.1 -13.8 -26.2 -39.8 -27.2 81 83 A N S < S- 0 0 30 -3,-1.3 -14,-0.1 -4,-0.4 39,-0.0 -0.382 89.0 -84.7 -73.7 150.1 -26.0 -42.1 -30.2 82 84 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.195 34.4-165.9 -51.8 143.5 -25.7 -40.8 -33.7 83 85 A N + 0 0 87 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.108 66.8 57.8-121.9 16.2 -29.0 -39.9 -35.4 84 86 A T S S- 0 0 34 1,-0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.934 102.5 -70.4-128.9 164.8 -27.9 -39.6 -39.0 85 87 A D - 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