==== 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 2WIF . 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) . 20582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 65.3 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 . 29 5.5 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 26.2 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 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 2 1 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 0 151 0, 0.0 2,-0.4 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 136.0 -36.6 -18.3 -49.9 2 4 A I + 0 0 44 11,-0.4 11,-2.0 2,-0.0 2,-0.4 -0.828 360.0 167.4-134.2 100.3 -33.3 -17.8 -48.3 3 5 A I E -A 12 0A 50 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.895 11.2-169.5-113.5 132.9 -30.1 -18.0 -50.2 4 6 A I E -A 11 0A 19 7,-2.4 7,-2.5 -2,-0.4 2,-0.5 -0.957 19.6-131.1-120.9 141.4 -26.8 -16.8 -48.9 5 7 A A E -A 10 0A 63 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.834 27.2-173.9 -94.4 127.2 -23.6 -16.6 -51.0 6 8 A T - 0 0 14 3,-2.4 3,-0.3 -2,-0.5 173,-0.1 -0.575 42.5 -98.0-113.2 176.4 -20.5 -18.1 -49.6 7 9 A K S S+ 0 0 138 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.815 125.7 35.9 -67.0 -22.0 -17.0 -18.1 -50.8 8 10 A N S S- 0 0 32 1,-0.4 42,-3.9 41,-0.1 2,-0.3 0.492 130.0 -54.5-108.5 -7.1 -17.5 -21.5 -52.3 9 11 A G - 0 0 13 -3,-0.3 -3,-2.4 40,-0.2 -1,-0.4 -0.887 65.8 -56.0 157.7 177.4 -21.0 -21.2 -53.5 10 12 A K E -Ab 5 53A 109 42,-0.8 44,-2.4 40,-0.4 2,-0.4 -0.525 43.5-162.9 -80.6 150.5 -24.6 -20.4 -52.7 11 13 A V E -Ab 4 54A 0 -7,-2.5 -7,-2.4 42,-0.2 2,-0.5 -0.999 8.3-146.2-138.1 138.7 -26.4 -22.2 -49.9 12 14 A R E -Ab 3 55A 65 42,-3.0 44,-3.3 -2,-0.4 -9,-0.2 -0.898 18.3-170.7-107.4 133.7 -30.1 -22.5 -49.2 13 15 A G - 0 0 4 -11,-2.0 -11,-0.4 -2,-0.5 2,-0.4 -0.416 17.0-118.0-110.0-175.4 -31.4 -22.7 -45.7 14 16 A M E -C 25 0B 65 11,-2.9 11,-2.7 42,-0.3 2,-0.2 -0.956 18.5-121.7-129.5 148.1 -34.8 -23.4 -44.2 15 17 A Q E -C 24 0B 94 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.571 26.4-170.1 -83.8 149.7 -37.1 -21.3 -41.9 16 18 A L E -C 23 0B 32 7,-1.6 7,-2.3 -2,-0.2 2,-0.6 -1.000 19.8-133.5-142.5 140.3 -38.2 -22.6 -38.5 17 19 A T E +C 22 0B 115 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.819 30.9 171.1 -95.2 127.2 -40.8 -21.3 -36.2 18 20 A V E > -C 21 0B 3 3,-1.5 3,-0.9 -2,-0.6 -2,-0.1 -0.976 66.3 -17.5-135.0 125.3 -39.5 -21.1 -32.7 19 21 A F T 3 S- 0 0 58 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.940 126.2 -50.6 46.5 68.0 -41.4 -19.4 -29.9 20 22 A G T 3 S+ 0 0 79 1,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.739 128.6 81.3 45.6 33.6 -43.7 -17.5 -32.2 21 23 A G E < S-C 18 0B 17 -3,-0.9 -3,-1.5 2,-0.0 2,-0.4 -0.728 77.4-101.7-147.9-170.4 -40.7 -16.2 -34.1 22 24 A T E -C 17 0B 50 77,-0.5 77,-1.4 -5,-0.2 2,-0.4 -0.979 21.6-177.5-135.3 132.5 -38.4 -17.4 -36.8 23 25 A V E -CD 16 98B 0 -7,-2.3 -7,-1.6 -2,-0.4 2,-0.4 -0.968 21.6-139.4-117.2 135.4 -34.9 -18.8 -37.1 24 26 A T E -CD 15 97B 7 73,-2.2 73,-3.4 -2,-0.4 2,-0.4 -0.790 21.3-163.4 -88.2 134.3 -33.2 -19.6 -40.4 25 27 A A E -CD 14 96B 0 -11,-2.7 -11,-2.9 -2,-0.4 2,-0.6 -0.973 17.2-168.4-126.8 128.3 -31.2 -22.9 -40.3 26 28 A F E - D 0 95B 0 69,-3.3 69,-2.3 -2,-0.4 3,-0.4 -0.888 20.5-176.5-118.3 93.1 -28.5 -24.0 -42.7 27 29 A L E +m 57 0C 14 29,-1.7 31,-0.8 -2,-0.6 67,-0.2 -0.725 58.6 18.8 -92.3 136.9 -28.0 -27.6 -41.8 28 30 A G E + 0 0 4 -2,-0.4 66,-0.2 1,-0.2 -1,-0.2 0.779 67.2 166.4 79.5 33.6 -25.3 -29.6 -43.6 29 31 A I E - D 0 93B 0 64,-2.9 64,-2.0 -3,-0.4 -1,-0.2 -0.607 35.0-128.1 -80.8 128.1 -22.9 -27.1 -45.3 30 32 A P E + D 0 92B 8 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.485 27.6 178.7 -77.2 154.1 -19.7 -28.8 -46.4 31 33 A Y + 0 0 5 60,-2.0 16,-0.4 1,-0.2 2,-0.3 0.368 62.6 17.8-134.6 3.1 -16.5 -27.2 -45.2 32 34 A A S S- 0 0 4 59,-0.7 -1,-0.2 14,-0.2 14,-0.2 -0.978 91.5 -77.3-160.0 171.0 -13.8 -29.4 -46.7 33 35 A Q - 0 0 55 12,-3.1 12,-0.5 -2,-0.3 14,-0.1 -0.542 65.2 -92.0 -70.2 146.1 -13.2 -32.0 -49.3 34 36 A P - 0 0 47 0, 0.0 2,-1.5 0, 0.0 5,-0.2 -0.287 36.5-128.5 -56.8 134.9 -14.6 -35.4 -48.1 35 37 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.329 60.6 133.9 -92.5 58.0 -11.7 -37.2 -46.4 36 38 A L > - 0 0 72 -2,-1.5 3,-2.1 3,-0.1 2,-0.5 -0.651 58.4 -12.6-100.6 157.3 -12.0 -40.5 -48.4 37 39 A G G > S+ 0 0 44 1,-0.3 3,-0.7 -2,-0.2 0, 0.0 -0.387 138.0 13.2 66.7-113.6 -9.6 -42.8 -50.2 38 40 A R G 3 S+ 0 0 168 -2,-0.5 -1,-0.3 1,-0.2 225,-0.0 0.802 131.2 56.2 -65.2 -34.7 -6.2 -41.1 -50.5 39 41 A L G X S+ 0 0 14 -3,-2.1 3,-2.2 -5,-0.2 -1,-0.2 0.530 74.9 118.9 -76.8 -12.0 -7.4 -38.4 -48.0 40 42 A R T < S+ 0 0 13 -3,-0.7 -4,-0.1 1,-0.3 3,-0.1 -0.424 85.5 11.8 -60.3 131.6 -8.3 -40.8 -45.2 41 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.362 108.4 112.6 79.0 1.1 -6.1 -40.0 -42.1 42 44 A K S < S- 0 0 35 -3,-2.2 -1,-0.3 118,-0.2 3,-0.1 -0.696 79.7 -84.6-102.4 158.1 -4.9 -36.7 -43.6 43 45 A K - 0 0 71 115,-0.3 -1,-0.1 -2,-0.3 121,-0.1 -0.225 61.8 -89.5 -47.6 137.3 -5.5 -33.1 -42.7 44 46 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.277 43.1-137.6 -55.9 140.6 -8.8 -31.8 -44.1 45 47 A Q - 0 0 70 -12,-0.5 -12,-3.1 -3,-0.1 -6,-0.0 -0.857 26.9 -98.1-107.3 140.0 -8.3 -30.3 -47.5 46 48 A S - 0 0 86 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.105 44.2 -94.9 -60.7 156.4 -10.0 -27.1 -48.4 47 49 A L - 0 0 29 -16,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.567 25.0-134.9 -86.6 137.7 -13.3 -27.1 -50.4 48 50 A T - 0 0 97 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.517 41.2-103.4 -66.3 -26.7 -13.2 -26.6 -54.2 49 51 A K - 0 0 164 1,-0.1 2,-0.4 2,-0.0 -40,-0.2 0.532 32.6-150.0 89.7 117.4 -16.1 -24.0 -55.1 50 52 A W - 0 0 45 -42,-3.9 -40,-0.4 2,-0.1 2,-0.2 -0.966 4.1-146.2-119.8 128.0 -19.4 -25.1 -56.5 51 53 A S + 0 0 117 -2,-0.4 2,-0.1 -42,-0.1 -2,-0.0 -0.528 69.2 46.8 -77.4 165.8 -21.8 -23.2 -58.8 52 54 A D S S- 0 0 72 -2,-0.2 -42,-0.8 2,-0.0 2,-0.7 -0.152 103.3 -57.6 80.2 174.6 -25.5 -23.8 -58.3 53 55 A I E -b 10 0A 62 -44,-0.1 2,-0.4 -2,-0.1 -42,-0.2 -0.813 40.3-148.7 -98.0 108.3 -27.3 -23.8 -54.9 54 56 A W E -b 11 0A 88 -44,-2.4 -42,-3.0 -2,-0.7 2,-0.7 -0.623 22.1-134.5 -66.1 124.8 -26.2 -26.2 -52.2 55 57 A N E -b 12 0A 88 -2,-0.4 2,-0.9 -44,-0.2 3,-0.3 -0.791 20.8-172.7 -89.2 112.8 -29.4 -27.1 -50.2 56 58 A A + 0 0 0 -44,-3.3 -29,-1.7 -2,-0.7 -42,-0.3 -0.609 45.0 121.3-104.3 69.5 -28.6 -26.9 -46.4 57 59 A T B +m 27 0C 57 -2,-0.9 2,-0.3 -31,-0.2 -1,-0.2 0.419 64.7 35.1-127.0 -1.1 -31.9 -28.3 -45.4 58 60 A K S S- 0 0 161 -31,-0.8 -1,-0.2 -3,-0.3 -3,-0.0 -0.999 86.6 -92.1-147.6 162.1 -31.0 -31.3 -43.4 59 61 A Y - 0 0 52 -2,-0.3 3,-0.1 1,-0.1 -32,-0.1 -0.332 47.7-130.5 -61.4 148.9 -28.3 -32.5 -41.0 60 62 A A - 0 0 20 1,-0.2 2,-0.1 30,-0.1 30,-0.1 -0.113 36.5 -60.1 -90.8-178.9 -25.5 -34.3 -42.8 61 63 A N - 0 0 46 28,-0.3 31,-0.2 23,-0.1 25,-0.2 -0.465 50.5-129.5 -55.5 139.8 -23.8 -37.6 -42.2 62 64 A S B -n 86 0D 0 23,-1.8 25,-2.2 22,-0.3 27,-0.1 -0.564 36.1 -93.3 -82.3 155.7 -22.1 -38.1 -38.8 63 65 A a - 0 0 2 56,-0.3 25,-0.2 81,-0.2 56,-0.2 -0.305 52.3 -83.3 -69.6 152.9 -18.5 -39.3 -38.8 64 66 A C + 0 0 10 23,-0.3 82,-0.5 22,-0.1 2,-0.3 -0.268 68.3 146.8 -53.6 139.2 -17.7 -43.0 -38.6 65 67 A Q - 0 0 4 -3,-0.1 53,-0.1 80,-0.1 21,-0.1 -0.910 50.4 -97.0-172.5 147.2 -17.8 -44.2 -35.0 66 68 A N - 0 0 61 51,-0.3 2,-0.3 -2,-0.3 206,-0.0 -0.258 43.8-134.3 -61.1 153.0 -18.6 -47.0 -32.6 67 69 A I - 0 0 67 14,-0.1 2,-0.8 51,-0.1 -1,-0.1 -0.832 16.1-107.7-118.9 149.2 -21.9 -46.8 -30.9 68 70 A D + 0 0 39 -2,-0.3 3,-0.2 9,-0.2 13,-0.1 -0.742 42.0 165.8 -79.0 109.6 -23.0 -47.3 -27.3 69 71 A Q + 0 0 153 -2,-0.8 -1,-0.1 1,-0.1 9,-0.0 0.215 45.7 102.7-108.8 9.0 -25.0 -50.7 -27.3 70 72 A S S S+ 0 0 66 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.797 91.2 25.2 -65.6 -37.3 -25.0 -51.1 -23.5 71 73 A F S > S- 0 0 36 -3,-0.2 3,-2.8 3,-0.1 7,-0.3 -0.349 79.6-166.9-129.0 59.0 -28.5 -50.1 -23.0 72 74 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.150 80.4 16.6 -50.6 137.3 -30.6 -50.7 -26.2 73 75 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 2,-0.1 -2,-0.0 0.317 97.2 123.5 83.6 -9.8 -33.9 -48.9 -26.1 74 76 A F <> - 0 0 26 -3,-2.8 4,-2.5 1,-0.2 3,-0.4 -0.778 50.9-158.0 -92.9 119.8 -32.7 -46.8 -23.2 75 77 A H H > S+ 0 0 120 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.861 86.1 67.0 -65.1 -40.6 -33.0 -43.1 -23.9 76 78 A G H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.907 117.6 25.4 -43.9 -45.6 -30.4 -42.0 -21.3 77 79 A S H >> S+ 0 0 0 -3,-0.4 3,-1.4 -6,-0.2 4,-0.5 0.889 120.7 53.0 -90.2 -40.5 -27.7 -43.7 -23.4 78 80 A E H >< S+ 0 0 80 -4,-2.5 3,-0.7 -7,-0.3 -3,-0.2 0.754 90.2 75.7 -75.4 -20.2 -29.1 -43.7 -26.9 79 81 A M T 3< S+ 0 0 30 -4,-2.8 -1,-0.3 1,-0.2 46,-0.2 0.780 99.3 49.7 -56.8 -24.5 -29.8 -39.9 -26.8 80 82 A W T <4 S+ 0 0 58 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.666 89.4 98.9 -85.9 -21.8 -25.9 -39.7 -27.3 81 83 A N S << S- 0 0 29 -3,-0.7 -14,-0.1 -4,-0.5 39,-0.1 -0.373 89.4 -86.0 -66.9 151.0 -25.7 -42.1 -30.3 82 84 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.160 32.6-164.7 -55.9 148.8 -25.6 -40.6 -33.7 83 85 A N + 0 0 86 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.053 68.8 56.8-131.5 17.0 -28.8 -39.8 -35.4 84 86 A T S S- 0 0 31 0, 0.0 -22,-0.3 0, 0.0 -23,-0.1 -0.942 102.2 -73.7-134.3 160.4 -27.8 -39.3 -39.0 85 87 A D - 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