==== 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 2XMD . 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) . 21272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 63.0 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 . 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 . 35 6.6 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 . 135 25.6 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 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 0 155 0, 0.0 2,-0.6 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 116.8 36.8 18.5 13.3 2 4 A I + 0 0 51 11,-0.3 11,-2.1 2,-0.0 2,-0.4 -0.881 360.0 163.2-120.9 108.5 33.5 18.0 15.1 3 5 A I E -A 12 0A 54 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.978 15.7-163.7-128.2 131.6 30.2 18.4 13.3 4 6 A I E -A 11 0A 19 7,-2.3 7,-2.4 -2,-0.4 2,-0.6 -0.951 18.2-131.2-119.4 137.9 26.9 17.1 14.4 5 7 A A E -A 10 0A 67 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.794 29.4-175.6 -86.5 117.5 23.8 16.7 12.2 6 8 A T - 0 0 13 3,-1.7 173,-0.1 -2,-0.6 174,-0.0 -0.520 43.2 -98.4-104.6 177.9 20.7 18.2 13.8 7 9 A K S S+ 0 0 136 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.879 126.9 41.5 -63.7 -33.1 17.0 18.2 12.6 8 10 A N S S- 0 0 46 1,-0.3 42,-3.1 41,-0.1 2,-0.3 0.669 128.3 -72.1 -91.8 -20.3 17.6 21.6 11.1 9 11 A G - 0 0 15 40,-0.2 -3,-1.7 45,-0.0 -1,-0.3 -0.866 66.2 -38.4 156.1-175.7 21.1 21.1 9.7 10 12 A K E -Ab 5 53A 109 42,-0.5 44,-2.2 -2,-0.3 2,-0.4 -0.379 46.4-169.8 -69.1 138.8 24.8 20.6 10.5 11 13 A V E -Ab 4 54A 0 -7,-2.4 -7,-2.3 42,-0.2 2,-0.5 -0.991 11.1-144.9-125.2 147.6 26.4 22.6 13.4 12 14 A R E -Ab 3 55A 65 42,-2.9 44,-2.4 -2,-0.4 -9,-0.2 -0.930 17.7-172.3-110.4 132.7 30.2 22.8 14.1 13 15 A G - 0 0 5 -11,-2.1 -11,-0.3 -2,-0.5 2,-0.3 -0.242 16.6-117.9-104.5-163.7 31.6 23.0 17.7 14 16 A M E -C 25 0B 63 11,-2.3 11,-2.2 42,-0.2 2,-0.4 -0.963 19.8-114.7-137.6 150.5 35.0 23.6 19.3 15 17 A Q E -C 24 0B 117 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.738 27.6-161.9 -89.9 142.1 37.3 21.6 21.5 16 18 A L E -C 23 0B 35 7,-2.3 7,-1.7 -2,-0.4 2,-0.5 -0.923 15.5-135.3-118.5 143.8 38.1 22.8 25.0 17 19 A T E +C 22 0B 123 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.871 34.1 167.5 -91.9 123.1 41.0 21.8 27.3 18 20 A V E > -C 21 0B 4 3,-2.2 3,-1.0 -2,-0.5 -2,-0.1 -0.911 63.3 -28.1-141.8 117.3 39.6 21.2 30.8 19 21 A F T 3 S- 0 0 66 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.883 125.2 -44.4 47.0 53.8 41.6 19.6 33.6 20 22 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.658 128.5 72.8 73.8 18.5 43.7 17.4 31.4 21 23 A G E < S-C 18 0B 17 -3,-1.0 -3,-2.2 2,-0.0 2,-0.4 -0.697 78.2 -97.2-146.4-164.2 40.9 16.4 29.2 22 24 A T E -C 17 0B 48 77,-0.5 77,-1.2 -5,-0.2 2,-0.4 -0.977 19.3-171.0-134.4 135.7 38.5 17.7 26.5 23 25 A V E -CD 16 98B 0 -7,-1.7 -7,-2.3 -2,-0.4 2,-0.5 -0.992 21.3-136.8-118.5 133.5 35.0 19.0 26.5 24 26 A T E -CD 15 97B 8 73,-2.7 73,-3.3 -2,-0.4 2,-0.4 -0.816 23.8-166.3 -85.9 128.8 33.2 19.7 23.2 25 27 A A E -CD 14 96B 0 -11,-2.2 -11,-2.3 -2,-0.5 2,-0.5 -0.947 17.9-172.0-116.3 133.9 31.3 23.0 23.2 26 28 A F E - D 0 95B 0 69,-2.8 69,-3.5 -2,-0.4 2,-0.5 -0.969 20.0-173.7-119.5 108.5 28.6 24.2 20.8 27 29 A L E +m 57 0C 16 29,-1.9 31,-1.0 -2,-0.5 67,-0.2 -0.904 59.1 12.8-109.9 132.2 28.0 27.8 21.7 28 30 A G E + 0 0 4 -2,-0.5 66,-0.2 1,-0.2 -1,-0.2 0.866 68.0 169.8 77.0 40.8 25.2 29.8 20.0 29 31 A I E - D 0 93B 0 64,-3.4 64,-2.7 -3,-0.3 -1,-0.2 -0.722 36.2-123.0 -84.0 130.7 23.0 27.2 18.2 30 32 A P E + D 0 92B 12 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.432 32.0 176.7 -75.3 146.4 19.9 28.9 17.1 31 33 A Y + 0 0 9 60,-2.0 16,-0.3 1,-0.3 2,-0.3 0.493 60.7 20.6-129.4 -3.4 16.6 27.4 18.3 32 34 A A S S- 0 0 3 59,-0.8 -1,-0.3 14,-0.2 14,-0.2 -0.976 91.2 -78.5-150.8 160.9 13.8 29.7 17.0 33 35 A Q - 0 0 64 12,-2.2 12,-0.4 -2,-0.3 14,-0.1 -0.470 63.6 -94.7 -54.3 134.4 13.2 32.3 14.2 34 36 A P - 0 0 46 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.351 39.4-127.7 -50.0 125.1 14.7 35.6 15.3 35 37 A P + 0 0 5 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.437 59.7 135.7 -86.3 67.3 11.7 37.3 16.9 36 38 A L > - 0 0 73 -2,-1.8 3,-2.1 3,-0.1 2,-0.2 -0.699 55.2 -6.5-112.8 158.3 11.9 40.6 14.9 37 39 A G G > S+ 0 0 33 1,-0.3 3,-1.1 -2,-0.2 0, 0.0 -0.420 138.1 8.0 65.6-123.5 9.4 42.8 13.1 38 40 A R G 3 S+ 0 0 184 1,-0.2 -1,-0.3 -2,-0.2 225,-0.0 0.676 130.8 61.2 -59.8 -18.4 5.9 41.2 13.1 39 41 A L G X S+ 0 0 28 -3,-2.1 3,-2.1 -5,-0.1 -1,-0.2 0.654 72.4 115.9 -93.0 -17.7 7.3 38.5 15.4 40 42 A R T < S+ 0 0 11 -3,-1.1 -4,-0.1 1,-0.3 3,-0.1 -0.318 88.1 10.9 -52.2 130.6 8.2 40.9 18.3 41 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.249 107.0 114.5 77.7 -4.4 6.0 40.0 21.3 42 44 A K S < S- 0 0 47 -3,-2.1 -1,-0.3 118,-0.1 117,-0.1 -0.499 79.3 -86.2 -87.5 161.4 4.8 36.7 19.8 43 45 A K - 0 0 74 115,-0.4 -1,-0.1 -2,-0.2 121,-0.1 -0.310 62.0 -88.2 -53.5 145.1 5.4 33.2 20.8 44 46 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.358 45.1-142.2 -61.4 135.7 8.8 31.8 19.3 45 47 A Q - 0 0 70 -12,-0.4 -12,-2.2 -3,-0.1 2,-0.0 -0.730 26.2 -93.9-105.1 156.9 8.2 30.3 15.9 46 48 A S - 0 0 89 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.308 44.0 -97.5 -79.9 155.2 10.0 27.2 14.7 47 49 A L - 0 0 29 -16,-0.3 -1,-0.1 1,-0.1 -14,-0.0 -0.484 22.3-136.2 -82.6 140.0 13.2 27.4 12.7 48 50 A T - 0 0 106 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.767 43.5-111.8 -64.7 -40.8 13.2 27.1 9.0 49 51 A K - 0 0 161 2,-0.0 2,-0.4 -40,-0.0 -40,-0.2 0.155 26.2-139.1 108.1 135.5 16.2 24.7 8.3 50 52 A W - 0 0 47 -42,-3.1 2,-0.3 2,-0.1 -40,-0.3 -0.959 9.6-150.2-130.6 144.2 19.6 25.1 6.6 51 53 A S S S+ 0 0 104 -2,-0.4 -2,-0.0 -42,-0.1 2,-0.0 -0.597 73.6 49.9 -87.5 167.6 22.0 23.2 4.3 52 54 A D S S- 0 0 116 -2,-0.3 -42,-0.5 2,-0.0 2,-0.5 -0.020 99.8 -63.9 75.0 171.7 25.7 24.2 5.1 53 55 A I E -b 10 0A 56 -44,-0.1 2,-0.5 -42,-0.1 -42,-0.2 -0.811 39.6-146.6-101.8 123.3 27.5 24.2 8.4 54 56 A W E -b 11 0A 86 -44,-2.2 -42,-2.9 -2,-0.5 2,-0.8 -0.809 18.5-131.7 -89.9 129.0 26.4 26.6 11.2 55 57 A N E +b 12 0A 92 -2,-0.5 2,-0.8 -44,-0.2 3,-0.2 -0.683 26.8 176.4 -87.7 105.0 29.3 27.7 13.4 56 58 A A + 0 0 0 -44,-2.4 -29,-1.9 -2,-0.8 -42,-0.2 -0.633 41.7 119.8-105.0 73.2 28.6 27.4 17.1 57 59 A T B +m 27 0C 57 -2,-0.8 2,-0.3 -31,-0.2 -1,-0.2 0.278 67.4 35.9-124.7 8.0 32.0 28.6 18.2 58 60 A K S S- 0 0 162 -31,-1.0 -1,-0.2 -3,-0.2 0, 0.0 -0.978 91.6 -89.6-160.4 141.2 31.1 31.6 20.2 59 61 A Y - 0 0 51 -2,-0.3 2,-0.1 63,-0.1 3,-0.1 -0.209 49.1-132.8 -45.7 144.4 28.4 32.7 22.6 60 62 A A - 0 0 19 1,-0.2 62,-0.1 30,-0.1 30,-0.1 -0.358 40.2 -52.9 -95.9 179.9 25.5 34.5 20.6 61 63 A N - 0 0 43 28,-0.3 31,-0.2 -2,-0.1 25,-0.2 -0.263 50.5-131.5 -50.7 135.1 23.7 37.8 21.3 62 64 A S B -n 86 0D 0 23,-1.6 25,-2.0 22,-0.2 58,-0.1 -0.564 37.2 -95.6 -77.1 155.0 22.1 38.3 24.7 63 65 A a - 0 0 3 56,-0.4 25,-0.2 81,-0.2 56,-0.1 -0.366 52.1 -77.9 -75.0 158.0 18.5 39.5 24.6 64 66 A C + 0 0 11 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.178 69.6 145.4 -55.0 137.6 17.6 43.2 24.9 65 67 A Q - 0 0 5 -3,-0.1 2,-0.2 80,-0.1 53,-0.1 -0.963 50.4-101.6-170.5 151.5 17.8 44.5 28.5 66 68 A N - 0 0 61 51,-0.4 2,-0.4 -2,-0.3 206,-0.0 -0.544 42.1-129.4 -75.1 151.7 18.7 47.4 30.8 67 69 A I - 0 0 63 -2,-0.2 2,-0.8 51,-0.1 14,-0.0 -0.819 17.7-108.1-108.2 141.3 22.0 47.1 32.5 68 70 A D + 0 0 43 -2,-0.4 3,-0.3 1,-0.1 13,-0.1 -0.566 40.1 171.8 -59.5 104.8 22.8 47.5 36.2 69 71 A Q + 0 0 159 -2,-0.8 -1,-0.1 1,-0.2 9,-0.0 0.241 47.0 100.6-104.8 17.0 24.7 50.9 36.4 70 72 A S S S+ 0 0 62 1,-0.2 -1,-0.2 7,-0.0 -2,-0.0 0.842 92.9 25.5 -71.4 -34.6 24.9 51.3 40.2 71 73 A F S > S- 0 0 37 -3,-0.3 3,-2.4 3,-0.1 7,-0.3 -0.366 78.1-168.8-126.7 66.0 28.5 50.2 40.6 72 74 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.202 77.7 15.0 -61.7 138.8 30.4 50.8 37.4 73 75 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 2,-0.1 -2,-0.0 0.338 96.9 123.0 83.4 -3.9 33.8 49.1 37.4 74 76 A F X> - 0 0 31 -3,-2.4 4,-2.6 1,-0.1 3,-1.2 -0.825 54.7-152.3 -97.3 119.8 32.9 46.9 40.3 75 77 A H H 3> S+ 0 0 125 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.802 89.0 70.3 -56.6 -35.4 33.2 43.2 39.7 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.838 117.5 19.3 -53.6 -37.5 30.5 42.4 42.3 77 79 A S H X4 S+ 0 0 1 -3,-1.2 3,-1.5 -6,-0.3 4,-0.4 0.810 120.3 59.5-103.1 -38.4 27.7 43.8 40.0 78 80 A E H >< S+ 0 0 82 -4,-2.6 3,-1.3 -7,-0.3 -3,-0.2 0.786 89.9 71.1 -68.0 -26.5 29.4 43.8 36.7 79 81 A M T 3< S+ 0 0 29 -4,-2.4 -1,-0.3 1,-0.2 46,-0.3 0.719 99.6 51.7 -54.4 -26.8 29.9 40.0 36.7 80 82 A W T < S+ 0 0 62 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.606 89.7 100.4 -85.6 -12.0 26.1 39.8 36.3 81 83 A N S < S- 0 0 27 -3,-1.3 -14,-0.1 -4,-0.4 39,-0.1 -0.400 88.1 -86.6 -76.7 149.5 25.9 42.2 33.2 82 84 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.193 32.5-164.9 -56.2 140.9 25.6 40.8 29.7 83 85 A N + 0 0 86 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 -0.054 68.8 58.6-123.1 24.6 29.0 40.0 28.0 84 86 A T S S- 0 0 32 0, 0.0 -22,-0.2 0, 0.0 -24,-0.1 -0.962 102.1 -75.1-137.7 159.1 27.7 39.7 24.4 85 87 A D - 0 0 124 -2,-0.3 -23,-1.6 1,-0.1 2,-0.3 -0.172 48.2-119.8 -47.1 143.7 26.0 42.3 22.2 86 88 A L B +n 62 0D 65 -25,-0.2 2,-0.3 -4,-0.1 -23,-0.2 -0.648 47.4 150.6 -82.6 138.2 22.3 42.9 23.0 87 89 A S - 0 0 32 -25,-2.0 -23,-0.3 -2,-0.3 0, 0.0 -0.954 57.2-122.1-161.1 152.1 20.0 42.2 20.2 88 90 A E S S+ 0 0 33 -2,-0.3 2,-1.5 -25,-0.2 3,-0.2 0.698 105.5 78.2 -63.3 -20.4 16.4 41.1 19.6 89 91 A D + 0 0 44 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.697 61.1 118.1 -90.3 82.7 18.0 38.3 17.7 90 92 A a + 0 0 1 -2,-1.5 2,-2.1 -30,-0.1 53,-0.2 0.166 19.6 124.6-132.9 11.2 19.0 36.4 20.8 91 93 A L + 0 0 2 -3,-0.2 -60,-2.0 -59,-0.1 -59,-0.8 -0.459 45.1 122.9 -86.1 80.6 17.1 33.0 20.6 92 94 A Y E -D 30 0B 24 -2,-2.1 51,-3.1 -62,-0.2 2,-0.3 -0.881 41.7-156.8-134.5 157.6 20.2 30.7 20.9 93 95 A L E -DE 29 142B 0 -64,-2.7 -64,-3.4 -2,-0.3 2,-0.3 -0.911 10.3-135.7-135.6 167.9 21.4 27.9 23.2 94 96 A N E - E 0 141B 2 47,-2.6 47,-1.5 -2,-0.3 2,-0.4 -0.909 11.9-160.5-123.7 141.7 24.8 26.3 24.2 95 97 A V E -DE 26 140B 0 -69,-3.5 -69,-2.8 -2,-0.3 2,-0.5 -0.992 3.6-169.5-126.2 132.2 25.7 22.7 24.5 96 98 A W E -DE 25 139B 3 43,-2.6 43,-1.9 -2,-0.4 -71,-0.2 -0.980 12.1-177.1-120.4 125.0 28.6 21.2 26.4 97 99 A I E -D 24 0B 6 -73,-3.3 -73,-2.7 -2,-0.5 41,-0.1 -0.946 26.3-114.4-123.2 139.1 29.4 17.5 25.9 98 100 A P E -D 23 0B 3 0, 0.0 -75,-0.2 0, 0.0 35,-0.1 -0.282 40.5-107.4 -59.9 152.0 32.0 15.2 27.4 99 101 A A S S+ 0 0 31 -77,-1.2 -77,-0.5 2,-0.2 2,-0.2 -0.988 107.6 51.1-123.2 134.4 34.7 13.8 25.2 100 102 A P S S- 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -76,-0.0 0.546 116.5-103.2 -67.3 148.6 34.9 11.2 24.4 101 103 A K - 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