==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-APR-03 1P0M . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.NICOLET,O.LOCKRIDGE,P.MASSON,J.C.FONTECILLA-CAMPS,F.NACHON . 523 3 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.4 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 . 0 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 4 A I 0 0 122 0, 0.0 11,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-165.2 121.4 136.6 15.4 2 5 A I E -A 11 0A 76 9,-0.2 2,-0.4 7,-0.0 9,-0.2 -0.937 360.0-167.0-114.6 130.4 124.6 136.3 13.4 3 6 A I E -A 10 0A 19 7,-2.3 7,-2.1 -2,-0.5 2,-0.7 -0.947 17.6-135.4-116.2 135.3 127.9 137.5 14.8 4 7 A A E -A 9 0A 65 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.815 28.1-174.7 -92.6 117.0 131.0 137.9 12.5 5 8 A T E > -A 8 0A 15 3,-2.4 3,-1.5 -2,-0.7 173,-0.1 -0.640 42.3 -95.5-107.1 167.1 134.1 136.5 14.1 6 9 A K T 3 S+ 0 0 137 1,-0.3 3,-0.1 -2,-0.2 42,-0.1 0.800 125.3 35.8 -49.0 -36.0 137.8 136.5 13.0 7 10 A N T 3 S- 0 0 46 1,-0.3 42,-3.1 41,-0.1 -1,-0.3 0.425 128.8 -55.9-102.0 0.3 137.4 133.1 11.3 8 11 A G E < -A 5 0A 14 -3,-1.5 -3,-2.4 40,-0.2 -1,-0.3 -0.859 67.0 -52.5 150.0 176.3 133.8 133.3 10.1 9 12 A K E -Ab 4 52A 110 42,-0.7 44,-2.7 -2,-0.3 2,-0.4 -0.574 43.4-166.2 -86.2 148.8 130.2 133.9 10.9 10 13 A V E -Ab 3 53A 0 -7,-2.1 -7,-2.3 42,-0.2 2,-0.4 -0.994 9.2-145.4-137.0 142.2 128.3 132.1 13.6 11 14 A R E -Ab 2 54A 92 42,-3.0 44,-2.2 -2,-0.4 -9,-0.2 -0.886 17.3-173.6-109.8 135.9 124.6 131.8 14.4 12 15 A G - 0 0 8 -11,-2.0 2,-0.3 -2,-0.4 13,-0.2 -0.217 17.5-119.6-108.9-159.0 123.2 131.6 17.9 13 16 A M E -C 24 0B 62 11,-1.7 11,-2.7 42,-0.2 2,-0.3 -0.992 19.7-118.0-146.6 146.4 119.8 131.0 19.4 14 17 A Q E -C 23 0B 101 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.641 27.8-163.9 -87.4 144.7 117.5 133.0 21.7 15 18 A L E -C 22 0B 34 7,-2.0 7,-2.3 -2,-0.3 2,-0.6 -0.981 17.5-129.9-130.0 141.0 116.6 131.7 25.1 16 19 A T E +C 21 0B 125 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.817 34.5 169.2 -92.9 120.7 113.9 132.8 27.4 17 20 A V E > -C 20 0B 3 3,-1.5 3,-1.1 -2,-0.6 -2,-0.1 -0.972 62.3 -24.8-137.0 120.5 115.2 133.4 30.9 18 21 A F T 3 S- 0 0 67 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.921 124.7 -47.3 45.3 62.3 113.3 135.0 33.8 19 22 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.723 130.7 76.4 55.2 23.6 110.9 137.0 31.6 20 23 A G E < S-C 17 0B 13 -3,-1.1 -3,-1.5 2,-0.0 2,-0.4 -0.642 78.1-100.8-141.2-161.3 113.8 138.1 29.5 21 24 A T E -C 16 0B 51 77,-0.5 77,-1.0 -5,-0.2 2,-0.4 -0.995 18.8-172.4-140.8 139.5 116.2 136.9 26.8 22 25 A V E -CD 15 97B 0 -7,-2.3 -7,-2.0 -2,-0.4 2,-0.6 -0.983 20.8-137.0-127.0 139.0 119.7 135.5 26.6 23 26 A T E -CD 14 96B 6 73,-2.5 73,-2.5 -2,-0.4 2,-0.4 -0.855 22.9-164.4 -97.8 122.9 121.6 134.8 23.3 24 27 A A E -CD 13 95B 0 -11,-2.7 -11,-1.7 -2,-0.6 2,-0.6 -0.887 19.1-171.3-114.2 135.8 123.5 131.6 23.3 25 28 A F E - D 0 94B 0 69,-3.1 69,-2.3 -2,-0.4 2,-0.5 -0.890 20.7-174.2-120.7 94.4 126.2 130.4 20.9 26 29 A L E +m 56 0C 13 29,-1.7 31,-1.1 -2,-0.6 67,-0.2 -0.814 59.2 14.4 -95.9 127.2 126.8 126.8 21.8 27 30 A G E + 0 0 4 -2,-0.5 -1,-0.2 65,-0.5 66,-0.2 0.841 67.7 169.8 86.6 37.8 129.6 124.8 20.2 28 31 A I E - D 0 92B 0 64,-2.8 64,-2.4 -3,-0.4 -1,-0.2 -0.642 33.9-126.5 -81.4 130.3 131.9 127.3 18.5 29 32 A P E + D 0 91B 7 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.541 30.4 175.1 -76.0 144.3 135.1 125.7 17.3 30 33 A Y + 0 0 9 60,-1.8 2,-0.3 1,-0.2 16,-0.2 0.331 61.9 24.6-128.2 4.6 138.2 127.4 18.5 31 34 A A S S- 0 0 2 59,-0.7 -1,-0.2 14,-0.1 14,-0.2 -0.988 89.0 -81.8-161.6 164.4 140.9 125.0 17.2 32 35 A Q - 0 0 77 12,-2.1 12,-0.4 -2,-0.3 14,-0.1 -0.548 63.0 -96.3 -70.4 130.9 141.7 122.4 14.5 33 36 A P - 0 0 42 0, 0.0 2,-1.9 0, 0.0 55,-0.2 -0.260 34.6-127.9 -49.6 128.9 140.3 119.0 15.6 34 37 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.277 59.7 138.7 -80.4 58.0 143.2 117.3 17.3 35 38 A L > - 0 0 72 -2,-1.9 3,-2.4 4,-0.1 2,-0.2 -0.521 53.6 -11.0-101.1 165.7 142.9 114.1 15.2 36 39 A G G > S+ 0 0 43 1,-0.3 3,-1.3 2,-0.2 0, 0.0 -0.270 136.4 6.6 55.6-117.4 145.3 111.7 13.6 37 40 A R G 3 S+ 0 0 162 1,-0.3 -1,-0.3 -2,-0.2 225,-0.0 0.697 130.1 63.1 -69.7 -18.9 148.8 113.1 13.4 38 41 A L G X S+ 0 0 12 -3,-2.4 3,-1.5 -5,-0.1 -1,-0.3 0.482 74.3 115.6 -84.5 -6.0 147.6 115.9 15.6 39 42 A R T < S+ 0 0 12 -3,-1.3 -4,-0.1 1,-0.2 3,-0.1 -0.474 84.7 12.9 -66.7 137.2 146.7 113.7 18.5 40 43 A F T 3 S+ 0 0 1 108,-0.4 121,-0.4 1,-0.3 -1,-0.2 0.287 106.1 114.3 79.7 -8.0 148.8 114.5 21.6 41 44 A K S < S- 0 0 26 -3,-1.5 -1,-0.3 118,-0.1 3,-0.1 -0.567 78.8 -89.8 -94.1 158.7 150.0 117.7 20.0 42 45 A K - 0 0 68 115,-0.4 -1,-0.1 -2,-0.2 121,-0.1 -0.257 62.2 -84.3 -59.0 151.3 149.3 121.3 21.2 43 46 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.331 47.0-138.4 -61.7 140.2 146.2 122.7 19.6 44 47 A Q - 0 0 73 -12,-0.4 -12,-2.1 1,-0.1 -6,-0.0 -0.699 26.7 -88.8-101.9 154.7 146.7 124.2 16.1 45 48 A S - 0 0 93 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.1 -0.174 45.7-114.6 -58.3 152.7 145.1 127.4 14.7 46 49 A L - 0 0 38 -16,-0.2 2,-0.5 -15,-0.1 -1,-0.1 -0.638 21.6-119.3 -93.0 148.7 141.8 127.1 13.0 47 50 A T - 0 0 104 -2,-0.2 -40,-0.1 1,-0.1 -16,-0.0 -0.759 31.8-109.0 -92.7 128.2 141.1 127.8 9.3 48 51 A K - 0 0 155 -2,-0.5 2,-0.2 -42,-0.1 -40,-0.2 -0.139 39.7-165.1 -49.9 142.3 138.7 130.6 8.4 49 52 A W - 0 0 48 -42,-3.1 2,-0.3 2,-0.1 -40,-0.1 -0.701 11.0-142.4-124.2 176.1 135.4 129.3 7.0 50 53 A S + 0 0 107 -2,-0.2 2,-0.1 -42,-0.1 -43,-0.0 -0.843 64.0 54.1-132.6 169.5 132.5 130.8 5.1 51 54 A D S S- 0 0 138 -2,-0.3 -42,-0.7 2,-0.1 2,-0.6 -0.363 102.6 -63.4 88.7-178.2 128.8 130.1 5.3 52 55 A I E -b 9 0A 41 -2,-0.1 2,-0.3 -44,-0.1 -42,-0.2 -0.914 44.0-140.3-112.0 115.3 127.3 130.4 8.8 53 56 A W E -b 10 0A 92 -44,-2.7 -42,-3.0 -2,-0.6 2,-0.9 -0.555 20.4-134.0 -70.7 127.2 128.5 128.1 11.5 54 57 A N E -b 11 0A 81 -2,-0.3 2,-1.1 -44,-0.2 3,-0.3 -0.741 24.7-179.8 -90.6 105.0 125.5 127.1 13.6 55 58 A A + 0 0 0 -44,-2.2 -29,-1.7 -2,-0.9 -28,-0.2 -0.630 42.2 120.7 -99.7 71.9 126.3 127.3 17.3 56 59 A T B +m 26 0C 60 -2,-1.1 2,-0.3 -31,-0.2 -1,-0.2 0.375 67.7 32.7-117.3 3.8 122.9 126.1 18.4 57 60 A K S S- 0 0 155 -31,-1.1 -1,-0.2 -3,-0.3 0, 0.0 -0.986 91.5 -85.9-156.7 152.0 123.8 123.0 20.5 58 61 A Y - 0 0 49 -2,-0.3 3,-0.1 63,-0.1 -32,-0.1 -0.312 47.2-131.5 -59.5 140.3 126.6 121.8 22.7 59 62 A A - 0 0 19 1,-0.2 62,-0.1 30,-0.1 30,-0.1 -0.153 41.9 -57.6 -84.2-176.1 129.4 120.1 20.7 60 63 A N - 0 0 48 28,-0.3 2,-0.3 -33,-0.1 31,-0.2 -0.274 51.4-127.4 -61.9 149.6 131.1 116.8 21.4 61 64 A S B -n 85 0D 0 23,-2.7 25,-1.8 22,-0.1 58,-0.1 -0.670 35.6 -95.9 -93.6 152.3 132.7 116.3 24.9 62 65 A a - 0 0 3 56,-0.3 25,-0.2 -2,-0.3 56,-0.1 -0.338 50.6 -82.8 -70.3 153.3 136.3 115.1 24.9 63 66 A C + 0 0 12 23,-0.5 82,-0.4 22,-0.1 2,-0.3 -0.187 67.2 144.6 -54.6 140.4 137.1 111.4 25.3 64 67 A Q - 0 0 4 -3,-0.1 2,-0.2 80,-0.1 53,-0.1 -0.969 51.4 -98.0-172.6 156.9 137.1 110.2 28.9 65 68 A N - 0 0 59 51,-0.4 2,-0.3 -2,-0.3 51,-0.0 -0.575 44.6-132.0 -81.1 150.5 136.3 107.3 31.2 66 69 A I - 0 0 68 -2,-0.2 2,-0.9 14,-0.1 11,-0.1 -0.742 16.1-107.1-107.1 154.6 132.9 107.6 32.9 67 70 A D + 0 0 39 -2,-0.3 3,-0.2 9,-0.2 13,-0.1 -0.682 43.0 164.4 -79.3 108.2 131.9 107.2 36.5 68 71 A Q + 0 0 157 -2,-0.9 -1,-0.1 1,-0.1 9,-0.0 0.200 42.3 106.0-110.1 16.0 130.0 103.9 36.6 69 72 A S S S+ 0 0 67 1,-0.2 -1,-0.1 7,-0.1 -2,-0.0 0.730 91.4 26.6 -66.3 -24.6 130.1 103.3 40.3 70 73 A F S > S- 0 0 38 -3,-0.2 3,-2.6 3,-0.1 6,-0.3 -0.414 78.2-163.4-139.8 65.0 126.4 104.2 40.7 71 74 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.135 80.9 13.9 -48.6 138.4 124.3 103.5 37.6 72 75 A G T 3 S+ 0 0 69 1,-0.2 2,-0.5 2,-0.1 3,-0.1 0.406 96.4 122.8 75.1 -3.5 121.0 105.3 37.7 73 76 A F X> - 0 0 34 -3,-2.6 4,-2.3 1,-0.1 3,-0.7 -0.824 52.5-154.8 -95.3 125.6 122.0 107.5 40.6 74 77 A H H 3> S+ 0 0 116 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.802 87.4 72.5 -66.6 -29.2 121.8 111.3 39.9 75 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 351,-0.1 0.860 115.8 19.4 -53.9 -40.9 124.4 112.1 42.5 76 79 A S H X4 S+ 0 0 0 -3,-0.7 3,-1.2 -6,-0.3 4,-0.4 0.747 120.8 59.8-100.6 -31.9 127.2 110.7 40.3 77 80 A E H >< S+ 0 0 84 -4,-2.3 3,-0.8 1,-0.3 -3,-0.2 0.731 88.6 72.5 -73.6 -19.9 125.6 110.7 36.9 78 81 A M T 3< S+ 0 0 26 -4,-1.9 46,-0.3 1,-0.2 -1,-0.3 0.621 100.2 48.9 -67.9 -11.1 125.0 114.5 37.0 79 82 A W T < S+ 0 0 58 -3,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.557 90.0 99.4-103.1 -12.9 128.8 114.8 36.4 80 83 A N S < S- 0 0 28 -3,-0.8 -14,-0.1 -4,-0.4 39,-0.1 -0.425 91.0 -81.8 -74.1 150.8 129.1 112.3 33.5 81 84 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.200 34.4-166.5 -53.1 136.8 129.3 113.7 29.9 82 85 A N + 0 0 85 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 -0.036 69.8 62.3-116.3 28.0 125.9 114.6 28.5 83 86 A T S S- 0 0 33 0, 0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.980 101.0 -77.5-149.0 150.5 127.2 114.9 25.0 84 87 A D - 0 0 128 -2,-0.3 -23,-2.7 -24,-0.1 2,-0.2 -0.197 48.4-124.7 -49.1 138.5 128.8 112.4 22.5 85 88 A L B +n 61 0D 67 -25,-0.2 2,-0.3 -4,-0.1 -23,-0.2 -0.614 45.5 146.0 -86.0 148.0 132.5 111.7 23.3 86 89 A S - 0 0 34 -25,-1.8 -23,-0.5 -2,-0.2 0, 0.0 -0.932 59.3-118.6-176.1 152.6 135.0 112.3 20.6 87 90 A E S S+ 0 0 31 -2,-0.3 2,-1.8 1,-0.2 3,-0.2 0.784 106.5 76.8 -69.8 -27.0 138.5 113.5 19.9 88 91 A D + 0 0 42 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.634 63.7 118.7 -82.1 84.6 136.9 116.3 17.9 89 92 A a + 0 0 1 -2,-1.8 2,-1.9 -30,-0.1 -27,-0.2 0.265 19.1 121.9-137.0 10.8 135.9 118.2 21.0 90 93 A L + 0 0 2 -3,-0.2 -60,-1.8 -59,-0.1 -59,-0.7 -0.505 44.1 124.0 -83.7 77.7 137.7 121.6 21.0 91 94 A Y E -D 29 0B 24 -2,-1.9 51,-2.6 -31,-0.2 2,-0.3 -0.861 40.7-155.6-130.1 163.6 134.6 123.9 21.2 92 95 A L E -DE 28 141B 0 -64,-2.4 -64,-2.8 -2,-0.3 -65,-0.5 -0.918 9.0-134.5-138.0 163.1 133.4 126.7 23.4 93 96 A N E - E 0 140B 3 47,-3.0 47,-1.5 -2,-0.3 2,-0.4 -0.912 10.6-162.0-122.3 148.6 130.1 128.3 24.4 94 97 A V E -DE 25 139B 0 -69,-2.3 -69,-3.1 -2,-0.3 2,-0.5 -0.993 5.0-173.1-134.6 130.0 129.0 131.9 24.7 95 98 A W E -DE 24 138B 2 43,-2.2 43,-2.0 -2,-0.4 -71,-0.2 -0.987 14.4-177.3-119.6 124.3 126.1 133.4 26.6 96 99 A I E -D 23 0B 5 -73,-2.5 -73,-2.5 -2,-0.5 41,-0.1 -0.971 28.4-106.6-128.0 142.5 125.5 137.1 26.1 97 100 A P E -D 22 0B 1 0, 0.0 -75,-0.2 0, 0.0 35,-0.1 -0.190 43.5-103.7 -61.1 153.2 122.9 139.4 27.6 98 101 A A S S+ 0 0 17 -77,-1.0 -77,-0.5 2,-0.2 2,-0.2 -0.999 107.3 45.5-128.8 130.3 120.0 140.6 25.5 99 102 A P S S- 0 0 98 0, 0.0 -1,-0.0 0, 0.0 -76,-0.0 0.491 119.3 -95.4 -65.0 153.6 119.8 143.3 24.3 100 103 A K - 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