==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-JUL-10 3NWB . COMPND 2 MOLECULE: CATECHOL O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.EHLER,D.SCHLATTER,M.STIHLE,J.BENZ,M.G.RUDOLPH . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 0 0.0 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 . 13 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 0 0 1 0 1 1 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 116 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-158.1 -2.8 23.9 32.6 2 4 A T > - 0 0 68 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.739 360.0-112.8-116.9 162.6 -2.2 22.1 29.4 3 5 A K H > S+ 0 0 53 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.893 118.7 53.1 -59.1 -39.7 0.8 20.2 27.9 4 6 A E H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 108.2 49.1 -66.0 -40.3 1.1 22.9 25.2 5 7 A Q H > S+ 0 0 70 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.900 109.7 53.4 -61.9 -40.1 1.2 25.7 27.9 6 8 A R H X S+ 0 0 79 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.882 106.9 52.5 -63.5 -38.9 3.9 23.6 29.7 7 9 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.4 0.944 105.3 52.3 -62.6 -50.6 6.0 23.4 26.5 8 10 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.909 106.2 54.7 -56.9 -38.2 6.0 27.2 25.8 9 11 A R H X S+ 0 0 129 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.901 104.1 55.2 -59.8 -42.0 7.3 28.0 29.4 10 12 A Y H X S+ 0 0 59 -4,-1.2 4,-1.0 -3,-0.4 3,-0.5 0.928 107.8 48.3 -60.7 -45.3 10.2 25.7 28.9 11 13 A V H >X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 3,-0.9 0.939 108.4 54.2 -59.0 -48.1 11.4 27.5 25.8 12 14 A Q H 3< S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.771 118.5 36.0 -58.0 -25.8 11.1 30.9 27.5 13 15 A Q H 3< S+ 0 0 150 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.473 125.3 36.9-108.5 -4.4 13.3 29.7 30.3 14 16 A N H << S+ 0 0 87 -4,-1.0 2,-0.3 -3,-0.9 -2,-0.2 0.313 106.2 63.1-131.7 3.6 15.7 27.4 28.3 15 17 A A S < S- 0 0 16 -4,-1.7 8,-0.1 -5,-0.1 6,-0.0 -0.807 85.9-101.2-125.4 166.1 16.3 29.2 25.0 16 18 A K > - 0 0 139 3,-0.4 3,-2.9 -2,-0.3 7,-0.2 -0.802 42.6-112.2 -91.6 124.4 17.9 32.5 24.1 17 19 A P T 3 S+ 0 0 91 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.295 109.0 19.2 -53.8 132.2 15.2 35.1 23.3 18 20 A G T 3 S+ 0 0 48 85,-3.0 86,-0.2 1,-0.1 85,-0.1 0.580 99.9 111.8 84.7 5.6 15.6 35.8 19.7 19 21 A D <> - 0 0 54 -3,-2.9 4,-1.6 84,-0.3 3,-0.5 -0.847 44.2-174.3-120.0 90.7 17.4 32.5 19.1 20 22 A P H > S+ 0 0 25 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.863 83.2 56.3 -57.1 -39.6 15.3 30.1 17.1 21 23 A Q H > S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 105.6 51.2 -57.9 -42.9 17.7 27.2 17.4 22 24 A S H > S+ 0 0 13 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.858 109.6 52.1 -63.6 -33.0 17.6 27.4 21.2 23 25 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 -7,-0.2 -2,-0.2 0.959 110.3 46.3 -66.7 -48.6 13.8 27.4 21.0 24 26 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.926 113.4 50.3 -60.2 -42.9 13.8 24.2 18.8 25 27 A E H X S+ 0 0 113 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.889 109.4 50.4 -64.3 -40.3 16.3 22.5 21.1 26 28 A A H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.910 111.3 48.0 -65.0 -42.1 14.2 23.3 24.2 27 29 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.938 112.1 49.8 -63.3 -43.4 11.1 21.9 22.7 28 30 A D H X S+ 0 0 22 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.911 112.2 48.2 -61.9 -40.7 12.9 18.8 21.6 29 31 A T H X S+ 0 0 47 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.934 112.1 48.1 -65.2 -46.0 14.4 18.3 25.1 30 32 A Y H X>S+ 0 0 27 -4,-2.5 4,-2.6 1,-0.2 5,-1.6 0.923 113.8 47.2 -59.6 -43.3 11.0 18.8 26.8 31 33 A C H <5S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.732 117.2 42.6 -76.8 -21.1 9.3 16.4 24.4 32 34 A T H <5S+ 0 0 99 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.820 126.7 28.9 -86.1 -39.1 12.0 13.8 24.8 33 35 A Q H <5S+ 0 0 137 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.742 133.8 16.7 -95.7 -26.2 12.5 14.0 28.6 34 36 A K T <5S- 0 0 146 -4,-2.6 2,-0.4 -5,-0.4 -3,-0.2 0.810 122.1 -4.4-116.2 -65.6 9.1 15.1 29.9 35 37 A E < - 0 0 53 -5,-1.6 -1,-0.2 -32,-0.1 -2,-0.1 -0.960 62.7-123.8-144.1 124.9 6.0 14.8 27.7 36 38 A W - 0 0 109 -2,-0.4 2,-0.3 -4,-0.1 -4,-0.1 -0.301 32.9-179.8 -59.3 145.0 5.7 13.6 24.1 37 39 A A - 0 0 0 2,-0.1 2,-1.4 -6,-0.1 -6,-0.0 -0.987 39.0-107.7-147.7 156.6 4.0 16.1 21.7 38 40 A M + 0 0 77 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.146 63.8 139.4 -82.9 44.2 3.1 16.0 18.0 39 41 A N - 0 0 5 -2,-1.4 158,-0.2 1,-0.1 -2,-0.1 -0.523 69.8-109.7 -73.4 156.3 5.7 18.5 16.8 40 42 A V > - 0 0 1 -2,-0.2 4,-0.6 1,-0.1 5,-0.2 0.836 59.3-152.6 -61.6 -29.4 7.4 17.5 13.5 41 43 A G H > - 0 0 0 3,-0.2 4,-1.4 1,-0.1 -1,-0.1 -0.062 24.5 -68.9 83.1 173.2 10.5 16.8 15.6 42 44 A D H > S+ 0 0 66 2,-0.2 4,-2.0 3,-0.2 -1,-0.1 0.846 122.7 54.8 -74.4 -36.2 14.2 16.9 14.8 43 45 A A H > S+ 0 0 41 2,-0.2 4,-0.9 1,-0.2 3,-0.2 0.982 121.0 30.0 -64.5 -55.9 14.4 13.8 12.5 44 46 A K H X S+ 0 0 0 -4,-0.6 4,-2.6 151,-0.4 3,-0.3 0.836 115.2 65.4 -69.5 -31.9 11.8 15.0 10.0 45 47 A G H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.864 96.8 54.0 -58.3 -38.3 12.7 18.6 10.9 46 48 A Q H X S+ 0 0 112 -4,-2.0 4,-1.7 -3,-0.2 -1,-0.2 0.851 108.7 49.4 -65.4 -33.8 16.1 18.1 9.3 47 49 A I H X S+ 0 0 34 -4,-0.9 4,-2.4 -3,-0.3 -2,-0.2 0.939 110.4 50.2 -69.6 -44.9 14.5 16.9 6.1 48 50 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.914 108.3 53.3 -55.2 -44.0 12.2 19.9 6.1 49 51 A D H X S+ 0 0 17 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.912 108.8 49.1 -60.3 -42.5 15.2 22.2 6.6 50 52 A A H X S+ 0 0 59 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.899 112.7 47.7 -66.2 -41.0 16.9 20.6 3.6 51 53 A V H X S+ 0 0 5 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.929 111.4 49.7 -63.4 -47.1 13.8 21.0 1.4 52 54 A I H X S+ 0 0 1 -4,-2.9 4,-3.6 1,-0.2 -2,-0.2 0.922 111.8 48.5 -58.4 -45.4 13.3 24.6 2.5 53 55 A R H < S+ 0 0 166 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.864 106.8 56.1 -65.9 -35.3 16.9 25.5 1.7 54 56 A E H < S+ 0 0 130 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.905 124.4 24.5 -65.3 -31.1 16.7 23.8 -1.7 55 57 A Y H < S- 0 0 72 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.654 77.4-159.7-104.6 -20.5 13.7 26.1 -2.6 56 58 A S < - 0 0 54 -4,-3.6 -3,-0.1 -5,-0.2 -4,-0.1 0.880 32.4-149.9 31.5 57.1 14.2 29.2 -0.3 57 59 A P - 0 0 6 0, 0.0 22,-0.3 0, 0.0 3,-0.2 -0.158 18.9-147.9 -60.6 142.3 10.5 29.8 -1.0 58 60 A S S S+ 0 0 82 1,-0.3 25,-2.6 24,-0.1 2,-0.4 0.812 86.7 23.1 -81.2 -30.6 9.1 33.3 -1.0 59 61 A L E S-a 83 0A 32 23,-0.2 75,-2.1 2,-0.0 76,-1.4 -0.959 70.3-177.7-139.4 119.6 5.7 32.5 0.4 60 62 A V E -ab 84 135A 0 23,-2.2 25,-2.8 -2,-0.4 2,-0.5 -0.932 11.1-156.8-117.0 139.4 4.9 29.3 2.4 61 63 A L E -ab 85 136A 0 74,-2.3 76,-2.7 -2,-0.4 2,-0.4 -0.980 7.9-164.1-112.9 128.9 1.5 28.2 3.8 62 64 A E E -ab 86 137A 0 23,-2.7 25,-2.7 -2,-0.5 2,-0.7 -0.953 7.0-153.7-110.7 131.5 1.4 25.9 6.8 63 65 A L E S+ab 87 138A 0 74,-2.9 76,-2.0 -2,-0.4 25,-0.1 -0.917 76.5 16.5-104.8 110.6 -1.8 24.0 7.6 64 66 A G - 0 0 11 23,-2.5 24,-0.2 -2,-0.7 -1,-0.2 0.813 59.5-173.5 96.1 90.6 -1.8 23.2 11.3 65 67 A A > + 0 0 2 22,-0.6 3,-2.3 1,-0.2 2,-0.5 0.820 12.2 174.7 -81.9 -37.5 0.6 25.2 13.5 66 68 A Y T 3 S- 0 0 16 1,-0.3 31,-0.4 2,-0.1 -1,-0.2 -0.477 77.4 -14.1 63.2-111.0 0.1 23.4 16.8 67 69 A C T 3 S- 0 0 0 -2,-0.5 -1,-0.3 29,-0.1 33,-0.1 0.404 99.9-102.2-101.9 0.9 2.7 25.0 19.1 68 70 A G S <> S+ 0 0 0 -3,-2.3 4,-2.7 32,-0.1 5,-0.2 0.465 80.6 129.6 97.5 5.5 4.7 26.6 16.4 69 71 A Y H > S+ 0 0 2 -4,-0.3 4,-2.4 1,-0.2 5,-0.1 0.938 79.7 40.2 -59.5 -50.7 7.6 24.2 16.2 70 72 A S H > S+ 0 0 5 -5,-0.4 4,-2.7 1,-0.2 5,-0.3 0.851 113.5 56.2 -68.6 -31.8 7.5 23.8 12.4 71 73 A A H > S+ 0 0 0 -6,-0.3 4,-2.9 2,-0.2 5,-0.3 0.923 109.6 45.2 -64.9 -43.2 6.8 27.5 12.0 72 74 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.936 113.1 52.0 -61.6 -44.2 10.0 28.3 13.9 73 75 A R H < S+ 0 0 8 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.909 118.1 35.5 -61.6 -45.3 11.9 25.7 11.9 74 76 A M H >X S+ 0 0 4 -4,-2.7 3,-1.6 1,-0.2 4,-0.5 0.931 114.4 53.8 -75.0 -45.5 10.8 27.1 8.5 75 77 A A H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.3 -2,-0.2 0.853 101.0 61.0 -62.8 -33.4 10.7 30.8 9.3 76 78 A R T 3< S+ 0 0 49 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.700 107.4 46.3 -66.1 -18.1 14.3 30.8 10.6 77 79 A L T <4 S+ 0 0 22 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.432 85.9 113.5-103.4 -3.6 15.4 29.6 7.1 78 80 A L S << S- 0 0 11 -3,-1.1 3,-0.1 -4,-0.5 -20,-0.1 -0.433 70.3-116.0 -68.0 141.9 13.4 32.1 5.0 79 81 A Q > - 0 0 107 -22,-0.3 3,-2.6 1,-0.2 -1,-0.1 -0.406 50.5 -73.1 -71.9 154.6 15.4 34.6 3.0 80 82 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.204 124.4 19.2 -49.2 136.3 14.9 38.3 4.0 81 83 A G T 3 S+ 0 0 55 1,-0.3 2,-0.1 -3,-0.1 -2,-0.0 0.111 95.5 120.7 89.7 -24.4 11.4 39.4 2.8 82 84 A A < - 0 0 6 -3,-2.6 2,-0.3 -7,-0.1 -1,-0.3 -0.398 48.4-152.1 -74.0 156.9 10.0 35.9 2.4 83 85 A R E -a 59 0A 101 -25,-2.6 -23,-2.2 -3,-0.1 2,-0.4 -0.937 16.6-150.5-139.6 150.1 7.0 35.0 4.5 84 86 A L E -ac 60 110A 0 25,-2.5 27,-2.2 -2,-0.3 2,-0.5 -0.978 6.7-166.6-116.9 133.1 5.1 32.2 6.2 85 87 A L E -ac 61 111A 15 -25,-2.8 -23,-2.7 -2,-0.4 2,-0.4 -0.983 12.5-171.2-111.6 131.0 1.4 32.1 6.7 86 88 A T E -ac 62 112A 0 25,-2.7 27,-3.1 -2,-0.5 2,-0.5 -0.984 10.4-150.6-128.0 134.1 0.2 29.4 9.2 87 89 A M E +ac 63 113A 4 -25,-2.7 -23,-2.5 -2,-0.4 -22,-0.6 -0.870 18.6 170.0-106.3 129.0 -3.4 28.4 9.9 88 90 A E - 0 0 17 25,-2.6 27,-0.2 -2,-0.5 6,-0.1 -0.915 16.8-168.1-141.9 114.2 -4.4 27.1 13.3 89 91 A M + 0 0 104 -2,-0.4 27,-0.2 25,-0.2 -1,-0.1 0.712 68.6 84.2 -77.4 -22.5 -8.1 26.6 14.1 90 92 A N > - 0 0 43 1,-0.2 4,-2.5 25,-0.1 5,-0.2 -0.744 68.7-153.1 -86.4 116.8 -7.6 26.0 17.9 91 93 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.865 93.6 52.3 -61.9 -37.4 -7.5 29.5 19.5 92 94 A D H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.923 112.8 44.8 -62.9 -43.0 -5.4 28.3 22.4 93 95 A Y H > S+ 0 0 52 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.869 109.7 55.7 -69.7 -35.9 -2.8 26.7 20.1 94 96 A A H X S+ 0 0 9 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.911 109.0 47.6 -62.1 -43.8 -2.8 29.8 17.8 95 97 A A H X S+ 0 0 48 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.884 111.7 49.8 -64.8 -40.0 -1.9 31.9 20.9 96 98 A I H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.939 111.4 49.9 -61.0 -45.7 0.8 29.5 21.9 97 99 A T H X S+ 0 0 0 -4,-2.8 4,-2.5 -31,-0.4 5,-0.2 0.923 109.5 50.0 -59.4 -46.0 2.2 29.6 18.4 98 100 A Q H X S+ 0 0 68 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.929 113.3 46.4 -59.8 -41.5 2.2 33.4 18.2 99 101 A Q H X S+ 0 0 76 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.851 110.3 53.2 -70.1 -35.4 4.0 33.6 21.6 100 102 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.926 112.1 45.2 -62.9 -44.1 6.5 30.9 20.5 101 103 A L H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 6,-0.6 0.878 112.1 51.9 -68.8 -37.6 7.3 32.9 17.3 102 104 A N H ><5S+ 0 0 76 -4,-2.4 3,-1.1 -5,-0.2 -2,-0.2 0.933 109.8 49.2 -60.5 -46.7 7.5 36.2 19.3 103 105 A F H 3<5S+ 0 0 34 -4,-2.5 -85,-3.0 1,-0.3 -84,-0.3 0.911 110.9 50.0 -62.4 -40.5 10.0 34.6 21.7 104 106 A A H 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -87,-0.2 -2,-0.2 0.556 113.0-120.4 -71.7 -11.6 12.1 33.3 18.8 105 107 A G T <<5S+ 0 0 41 -3,-1.1 3,-0.3 -4,-0.6 -3,-0.2 0.682 82.3 115.2 78.1 21.1 12.1 36.8 17.3 106 108 A L >>< + 0 0 12 -5,-2.4 3,-1.8 1,-0.2 4,-0.6 0.286 31.3 111.1-104.4 8.2 10.4 35.6 14.1 107 109 A Q G >4 S+ 0 0 72 -6,-0.6 3,-0.6 1,-0.3 -1,-0.2 0.775 71.2 59.3 -62.0 -27.0 7.2 37.5 14.3 108 110 A D G 34 S+ 0 0 124 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.712 107.6 47.2 -76.0 -14.2 7.9 39.8 11.4 109 111 A K G <4 S+ 0 0 52 -3,-1.8 -25,-2.5 -26,-0.1 2,-0.4 0.549 108.2 60.5 -99.6 -11.0 8.2 36.8 9.0 110 112 A V E << -c 84 0A 9 -4,-0.6 2,-0.5 -3,-0.6 -25,-0.2 -0.930 54.6-162.3-127.4 140.7 5.0 34.9 10.1 111 113 A T E -c 85 0A 65 -27,-2.2 -25,-2.7 -2,-0.4 2,-0.7 -0.995 14.3-155.5-116.7 124.3 1.3 35.5 10.1 112 114 A I E -c 86 0A 23 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.896 8.7-161.2-102.2 114.0 -0.7 33.2 12.4 113 115 A L E -c 87 0A 13 -27,-3.1 -25,-2.6 -2,-0.7 2,-1.2 -0.867 8.4-147.9-100.2 120.1 -4.2 32.9 11.2 114 116 A N + 0 0 90 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.679 60.9 75.7 -89.8 92.3 -6.7 31.6 13.8 115 117 A G S S- 0 0 18 -2,-1.2 2,-0.3 -27,-0.2 -25,-0.1 -0.967 85.2 -70.0-176.3 175.2 -9.3 29.8 11.8 116 118 A A >> - 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