==== 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 PLANT PROTEIN, TRANSFERASE 20-APR-05 1ZG3 . COMPND 2 MOLECULE: ISOFLAVANONE 4'-O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO TRUNCATULA; . AUTHOR C.-J.LIU,B.E.DEAVOURS,S.RICHARD,J.-L.FERRER,R.A.DIXON,J.P.NO . 359 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 2 2 3 1 2 1 0 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 3 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 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 7 A G >> 0 0 69 0, 0.0 3,-2.3 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0-124.8 125.2 46.5 64.1 2 8 A S T 34 + 0 0 110 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.474 360.0 74.6 -64.4 1.2 126.3 50.2 64.6 3 9 A E T 34 S+ 0 0 118 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.831 88.3 55.8 -78.5 -36.5 124.7 50.5 61.1 4 10 A E T <4 S+ 0 0 144 -3,-2.3 -2,-0.2 3,-0.1 -1,-0.2 0.828 105.0 71.5 -61.8 -31.0 121.3 50.3 62.9 5 11 A S S < S+ 0 0 76 -4,-0.8 3,-0.1 2,-0.1 -3,-0.0 0.222 70.2 65.1 -66.4-163.4 122.7 53.2 64.9 6 12 A E - 0 0 85 1,-0.2 4,-0.1 2,-0.1 3,-0.1 0.907 66.5-143.4 43.7 95.9 123.1 56.6 63.3 7 13 A L > - 0 0 119 1,-0.1 4,-1.2 3,-0.1 -1,-0.2 0.176 53.5-148.6 -70.1 23.3 119.6 57.9 62.6 8 14 A Y T >4 - 0 0 106 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.494 27.8 -75.7 31.0-173.8 121.9 59.1 59.8 9 15 A H T 3> S+ 0 0 146 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.142 116.6 95.1 -91.4 12.6 121.7 62.2 57.7 10 16 A A H 3> S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.889 79.4 50.4 -70.0 -40.6 119.0 60.0 56.2 11 17 A Q H S+ 0 0 91 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.865 112.6 50.5 -69.2 -34.2 117.6 65.2 57.4 13 19 A H H X S+ 0 0 114 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.948 111.4 48.7 -66.6 -45.8 117.6 64.2 53.7 14 20 A L H X S+ 0 0 101 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.930 113.9 45.7 -58.6 -49.2 114.1 62.9 54.1 15 21 A Y H X S+ 0 0 124 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.843 104.5 60.2 -66.8 -35.8 112.8 66.0 55.8 16 22 A K H < S+ 0 0 130 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 110.3 44.1 -60.9 -33.9 114.4 68.5 53.4 17 23 A H H >< S+ 0 0 96 -4,-1.4 3,-0.9 -3,-0.3 4,-0.4 0.861 108.2 57.3 -79.4 -34.4 112.4 66.9 50.6 18 24 A V H 3< S+ 0 0 68 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.939 116.4 35.2 -59.0 -46.8 109.2 66.8 52.6 19 25 A Y T >< S+ 0 0 132 -4,-2.3 3,-1.2 1,-0.2 4,-0.5 0.228 83.2 104.6 -95.7 13.8 109.3 70.5 53.2 20 26 A N T X> + 0 0 76 -3,-0.9 3,-1.2 1,-0.2 4,-0.9 0.843 69.9 71.0 -61.6 -32.5 110.8 71.6 49.9 21 27 A F H 3> S+ 0 0 113 -3,-0.5 4,-2.1 -4,-0.4 3,-0.4 0.805 85.2 68.6 -54.7 -30.4 107.3 72.8 48.8 22 28 A V H <> S+ 0 0 63 -3,-1.2 4,-3.2 1,-0.2 -1,-0.3 0.894 92.8 56.3 -57.5 -42.3 107.6 75.6 51.3 23 29 A S H <> S+ 0 0 46 -3,-1.2 4,-1.9 -4,-0.5 -1,-0.2 0.875 108.6 48.6 -58.9 -36.4 110.3 77.3 49.3 24 30 A S H X S+ 0 0 46 -4,-0.9 4,-2.3 -3,-0.4 -1,-0.2 0.909 112.6 47.2 -69.6 -42.5 107.9 77.3 46.3 25 31 A M H X S+ 0 0 56 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.905 110.4 52.1 -66.6 -40.9 105.1 78.8 48.4 26 32 A A H X S+ 0 0 4 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.945 111.2 47.4 -60.3 -45.8 107.3 81.5 49.9 27 33 A L H X S+ 0 0 38 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.921 109.9 52.8 -60.2 -44.3 108.4 82.5 46.4 28 34 A K H X S+ 0 0 52 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.911 108.6 51.4 -57.3 -42.9 104.8 82.6 45.3 29 35 A S H X S+ 0 0 16 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.889 104.6 57.0 -62.4 -39.6 104.0 84.9 48.2 30 36 A A H X>S+ 0 0 2 -4,-2.1 5,-1.4 1,-0.2 4,-0.7 0.909 110.0 44.0 -60.3 -42.0 106.8 87.2 47.3 31 37 A M H ><5S+ 0 0 29 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.937 114.1 47.7 -71.9 -43.1 105.4 87.7 43.8 32 38 A E H 3<5S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 110.4 54.3 -67.0 -24.9 101.7 88.2 45.0 33 39 A L H 3<5S- 0 0 56 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.683 103.1-136.6 -79.4 -17.9 103.0 90.6 47.6 34 40 A G T < + 0 0 0 -5,-1.4 4,-2.5 1,-0.2 5,-0.2 0.901 68.1 51.2 -57.2 -46.6 107.8 93.0 47.1 36 42 A A H > S+ 0 0 4 -6,-0.4 4,-3.4 1,-0.2 5,-0.2 0.948 110.3 49.3 -57.2 -51.3 110.2 93.3 44.1 37 43 A D H > S+ 0 0 42 68,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.867 110.8 50.9 -56.2 -40.4 108.1 96.1 42.5 38 44 A A H X S+ 0 0 10 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.910 114.5 42.1 -66.3 -43.4 108.0 98.0 45.8 39 45 A I H X>S+ 0 0 8 -4,-2.5 4,-1.4 2,-0.2 5,-0.8 0.953 114.6 51.1 -68.6 -48.2 111.7 97.9 46.3 40 46 A H H ><5S+ 0 0 74 -4,-3.4 3,-0.7 1,-0.2 -2,-0.2 0.926 111.1 48.5 -52.5 -49.2 112.4 98.6 42.6 41 47 A N H 3<5S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.770 106.6 56.4 -64.3 -26.9 110.0 101.6 42.8 42 48 A H H 3<5S- 0 0 74 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.771 94.9-149.2 -75.4 -25.2 111.7 102.9 46.0 43 49 A G T <<5 + 0 0 65 -4,-1.4 -3,-0.1 -3,-0.7 -2,-0.1 0.768 68.4 54.9 62.2 30.0 115.0 102.9 44.1 44 50 A K S -A 95 0A 6 -2,-0.4 4,-3.2 48,-0.3 5,-0.3 -0.452 28.3-108.4 -87.8 162.4 113.2 98.8 55.5 48 54 A L H > S+ 0 0 27 46,-0.7 4,-2.5 1,-0.2 5,-0.2 0.922 122.1 43.8 -55.0 -46.0 110.7 96.3 57.0 49 55 A S H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 113.7 49.0 -66.1 -47.2 108.5 99.2 58.1 50 56 A E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.933 115.0 45.9 -58.3 -46.3 108.9 101.1 54.8 51 57 A L H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.889 112.2 49.9 -64.7 -41.3 108.1 97.9 52.9 52 58 A A H <>S+ 0 0 8 -4,-2.5 5,-2.0 -5,-0.3 4,-0.4 0.868 111.4 51.4 -64.8 -34.8 105.1 97.2 55.2 53 59 A S H ><5S+ 0 0 88 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.914 108.0 50.2 -67.3 -44.3 104.0 100.8 54.6 54 60 A S H 3<5S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.848 112.0 47.6 -64.9 -34.1 104.2 100.4 50.8 55 61 A L T 3<5S- 0 0 37 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.510 104.9-132.3 -85.5 -2.6 102.2 97.2 50.9 56 62 A K T < 5 + 0 0 188 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.1 0.903 41.0 179.7 52.9 46.0 99.6 98.9 53.2 57 63 A L < - 0 0 48 -5,-2.0 -1,-0.2 1,-0.1 5,-0.0 -0.408 35.0-107.3 -77.8 152.7 99.7 95.9 55.5 58 64 A H >> - 0 0 120 1,-0.1 3,-2.8 -2,-0.1 4,-0.7 -0.580 38.3-111.5 -73.6 141.0 97.6 95.6 58.6 59 65 A P T 34 S+ 0 0 102 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.755 116.5 60.3 -46.5 -27.4 100.0 96.0 61.6 60 66 A S T 34 S+ 0 0 60 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.666 100.3 54.3 -77.1 -16.5 99.4 92.4 62.5 61 67 A K T X> S+ 0 0 109 -3,-2.8 4,-2.4 1,-0.2 3,-0.6 0.594 84.0 86.3 -92.1 -12.6 100.7 91.1 59.2 62 68 A V H 3X S+ 0 0 36 -4,-0.7 4,-2.3 -3,-0.5 -1,-0.2 0.929 88.6 49.7 -53.8 -49.3 104.0 92.9 59.5 63 69 A N H 3> S+ 0 0 100 -4,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.779 108.9 54.0 -64.1 -24.0 105.7 90.1 61.4 64 70 A I H <> S+ 0 0 72 -3,-0.6 4,-2.3 -4,-0.2 5,-0.2 0.925 106.2 51.3 -73.5 -42.4 104.4 87.7 58.8 65 71 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 109.4 53.0 -56.5 -42.6 106.1 89.8 56.1 66 72 A H H X S+ 0 0 71 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.907 107.3 49.5 -60.1 -46.3 109.2 89.6 58.2 67 73 A R H X S+ 0 0 143 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.925 112.6 46.5 -61.6 -46.4 109.2 85.8 58.5 68 74 A F H X S+ 0 0 70 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.907 112.2 52.7 -62.4 -39.6 108.7 85.3 54.7 69 75 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.878 104.8 54.3 -62.8 -41.5 111.5 87.8 54.1 70 76 A R H X S+ 0 0 134 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.941 113.3 42.2 -60.8 -45.9 113.9 86.0 56.4 71 77 A L H X S+ 0 0 59 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.941 115.2 49.0 -66.3 -47.1 113.4 82.7 54.4 72 78 A L H <>S+ 0 0 1 -4,-2.7 5,-2.8 1,-0.2 6,-0.5 0.883 110.7 51.6 -60.6 -39.1 113.5 84.4 51.0 73 79 A T H ><5S+ 0 0 20 -4,-2.8 3,-1.6 4,-0.2 5,-0.3 0.911 109.1 49.7 -64.3 -42.5 116.6 86.3 52.0 74 80 A H H 3<5S+ 0 0 158 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.886 108.8 53.6 -63.3 -36.9 118.3 83.0 53.0 75 81 A N T 3<5S- 0 0 65 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.342 122.9-108.2 -79.8 6.4 117.2 81.5 49.7 76 82 A G T < 5S+ 0 0 32 -3,-1.6 26,-0.3 2,-0.2 -3,-0.2 0.683 87.4 116.9 78.7 20.0 118.9 84.4 47.9 77 83 A F S - 0 0 22 -22,-0.5 4,-2.1 -21,-0.0 5,-0.2 -0.799 40.4 -86.2-130.7 172.7 119.0 90.3 43.7 100 106 A P H > S+ 0 0 99 0, 0.0 4,-0.7 0, 0.0 3,-0.3 0.934 127.8 51.9 -50.2 -46.8 119.2 89.0 40.2 101 107 A P H >4 S+ 0 0 54 0, 0.0 3,-1.0 0, 0.0 -24,-0.1 0.919 112.3 43.5 -56.3 -46.9 116.6 86.3 41.0 102 108 A S H >4 S+ 0 0 0 -26,-0.3 3,-2.2 1,-0.2 4,-0.1 0.752 99.8 70.5 -73.4 -21.2 114.1 88.7 42.4 103 109 A K H >< S+ 0 0 112 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.743 86.1 68.8 -66.8 -17.5 114.6 91.3 39.6 104 110 A L T << S+ 0 0 72 -3,-1.0 9,-2.7 -4,-0.7 10,-0.5 0.504 92.5 62.1 -75.8 -2.1 112.8 88.7 37.4 105 111 A L T < S+ 0 0 13 -3,-2.2 2,-0.8 7,-0.2 -68,-0.3 0.401 71.9 112.9-102.1 -0.3 109.8 89.7 39.5 106 112 A I X - 0 0 13 -3,-1.4 3,-0.8 -70,-0.1 6,-0.2 -0.643 65.9-135.1 -78.4 110.0 109.7 93.3 38.5 107 113 A S T 3 S+ 0 0 63 -2,-0.8 -2,-0.1 1,-0.2 -1,-0.1 -0.110 81.4 34.4 -62.1 158.8 106.5 93.7 36.4 108 114 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.602 91.8 115.9 72.6 10.4 106.4 95.6 33.1 109 115 A K S X S- 0 0 89 -3,-0.8 3,-2.8 1,-0.1 -1,-0.2 -0.904 77.5-122.1-112.6 141.0 109.9 94.5 32.3 110 116 A P T 3 S+ 0 0 95 0, 0.0 72,-0.2 0, 0.0 71,-0.1 0.697 115.1 53.8 -52.9 -16.3 110.7 92.2 29.3 111 117 A T T 3 S+ 0 0 48 -5,-0.2 2,-0.1 -8,-0.1 -4,-0.1 0.482 76.3 129.4 -97.7 -5.1 112.2 89.9 31.9 112 118 A C < + 0 0 15 -3,-2.8 -7,-0.2 -6,-0.2 3,-0.1 -0.306 24.9 171.8 -58.7 124.1 109.2 89.6 34.2 113 119 A L >> + 0 0 53 -9,-2.7 4,-2.0 -2,-0.1 3,-1.1 0.280 43.8 114.1-113.0 6.4 108.3 85.9 35.0 114 120 A S H 3> S+ 0 0 22 -10,-0.5 4,-2.1 1,-0.3 5,-0.1 0.819 74.3 54.4 -45.6 -41.8 105.7 86.8 37.6 115 121 A S H 3> S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 57,-0.3 0.835 107.4 49.6 -66.1 -34.8 102.9 85.4 35.5 116 122 A I H <> S+ 0 0 48 -3,-1.1 4,-3.0 2,-0.2 5,-0.3 0.920 111.0 48.4 -72.2 -41.8 104.6 82.0 35.1 117 123 A V H X S+ 0 0 26 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.894 111.3 52.8 -64.5 -36.2 105.2 81.7 38.8 118 124 A K H < S+ 0 0 109 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.927 116.1 37.6 -64.8 -45.6 101.6 82.6 39.5 119 125 A G H >< S+ 0 0 10 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.915 111.9 55.4 -73.7 -44.9 100.2 80.0 37.1 120 126 A A H 3< S+ 0 0 58 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.760 119.3 37.0 -59.6 -23.3 102.7 77.2 37.9 121 127 A L T 3< S+ 0 0 29 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.061 89.7 122.5-117.4 23.1 101.7 77.6 41.5 122 128 A H S X> S- 0 0 50 -3,-1.9 3,-2.0 1,-0.1 4,-1.7 -0.464 77.3-109.4 -80.6 155.5 98.0 78.3 41.1 123 129 A P H 3> S+ 0 0 66 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.883 120.5 60.9 -53.7 -36.2 95.5 75.9 42.8 124 130 A S H 34 S+ 0 0 15 1,-0.2 4,-0.1 2,-0.2 -5,-0.1 0.713 108.9 43.7 -63.9 -19.3 94.6 74.6 39.4 125 131 A S H <4 S+ 0 0 12 -3,-2.0 -1,-0.2 -6,-0.2 -5,-0.1 0.753 126.1 28.2 -93.4 -30.5 98.2 73.4 39.0 126 132 A L H >< S+ 0 0 60 -4,-1.7 3,-1.8 2,-0.1 -2,-0.2 0.804 98.5 74.2-104.3 -35.0 98.7 72.0 42.5 127 133 A D G >< S+ 0 0 109 -4,-2.8 3,-1.7 1,-0.3 4,-0.2 0.774 83.5 72.9 -54.0 -30.5 95.4 70.7 44.0 128 134 A M G > S+ 0 0 7 -5,-0.3 3,-2.5 1,-0.3 -1,-0.3 0.717 75.4 81.7 -59.6 -22.2 95.3 67.6 41.8 129 135 A W G X S+ 0 0 108 -3,-1.8 3,-1.6 1,-0.3 -1,-0.3 0.711 75.2 72.4 -59.4 -18.4 98.1 66.0 43.8 130 136 A S G < S+ 0 0 109 -3,-1.7 -1,-0.3 1,-0.3 3,-0.3 0.688 95.4 54.1 -69.8 -14.9 95.6 64.9 46.5 131 137 A S G <> S+ 0 0 21 -3,-2.5 4,-2.1 -4,-0.2 -1,-0.3 0.306 76.8 106.4 -99.0 7.8 94.5 62.3 43.9 132 138 A S H <> S+ 0 0 33 -3,-1.6 4,-1.8 1,-0.2 5,-0.2 0.875 77.3 48.1 -56.5 -44.4 97.9 60.9 43.3 133 139 A K H > S+ 0 0 157 -4,-0.3 4,-1.7 -3,-0.3 3,-0.3 0.949 113.9 46.3 -63.1 -48.3 97.4 57.6 45.2 134 140 A K H > S+ 0 0 113 1,-0.2 4,-0.5 -4,-0.2 -1,-0.2 0.851 109.9 58.3 -60.6 -33.4 94.1 56.9 43.4 135 141 A W H < S+ 0 0 35 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.863 105.8 45.9 -65.7 -41.0 95.8 57.8 40.2 136 142 A F H < S+ 0 0 145 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.856 115.4 47.5 -70.8 -36.2 98.5 55.2 40.5 137 143 A N H < S+ 0 0 125 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.369 92.1 96.4 -90.2 3.9 96.1 52.4 41.4 138 144 A E < - 0 0 43 -4,-0.5 -3,-0.0 -3,-0.5 -4,-0.0 -0.403 68.5-135.6 -91.3 170.5 93.4 52.9 38.8 139 145 A D S S+ 0 0 174 -2,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.501 74.9 100.5 -99.8 -7.1 92.9 51.1 35.5 140 146 A K - 0 0 138 -5,-0.0 2,-0.8 1,-0.0 -2,-0.1 -0.678 68.3-138.3 -87.6 130.8 92.1 54.3 33.5 141 147 A E + 0 0 181 -2,-0.4 2,-0.3 6,-0.0 -2,-0.1 -0.769 54.7 118.3 -86.6 110.3 94.9 55.9 31.4 142 148 A Q - 0 0 18 -2,-0.8 178,-0.1 -7,-0.1 179,-0.1 -0.965 65.8 -81.9-162.7 168.9 94.6 59.6 32.0 143 149 A T > - 0 0 10 -2,-0.3 4,-1.8 176,-0.1 176,-0.2 -0.240 42.5-112.6 -72.8 168.2 96.5 62.6 33.3 144 150 A L H > S+ 0 0 0 174,-2.0 4,-1.9 173,-0.3 175,-0.2 0.842 119.9 55.7 -71.5 -30.8 96.6 63.2 37.1 145 151 A F H > S+ 0 0 6 173,-1.6 4,-2.3 2,-0.2 5,-0.4 0.924 107.7 47.3 -65.1 -44.5 94.5 66.4 36.5 146 152 A E H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 111.1 52.2 -64.2 -38.3 91.9 64.3 34.7 147 153 A C H < S+ 0 0 13 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.858 114.4 42.8 -66.0 -34.7 91.9 61.8 37.5 148 154 A A H < S+ 0 0 36 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.823 130.8 20.3 -82.3 -32.7 91.4 64.5 40.1 149 155 A T H < S- 0 0 65 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.673 93.2-122.7-111.2 -24.1 88.7 66.6 38.3 150 156 A G S < S+ 0 0 69 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.2 0.420 85.7 78.0 93.7 -2.5 87.2 64.3 35.8 151 157 A E S S- 0 0 48 -6,-0.4 -2,-0.3 -5,-0.0 -1,-0.3 -0.977 86.1 -99.8-139.1 152.2 88.0 66.7 32.9 152 158 A S > - 0 0 19 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.180 37.5-110.4 -64.2 162.2 91.2 67.5 31.0 153 159 A F H > S+ 0 0 5 166,-0.4 4,-2.2 1,-0.2 5,-0.2 0.927 117.5 51.8 -61.0 -43.9 93.2 70.6 31.9 154 160 A W H > S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 107.8 49.5 -60.8 -47.3 92.2 72.4 28.7 155 161 A D H 4 S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.871 109.1 55.5 -60.6 -35.4 88.5 71.8 29.1 156 162 A F H >< S+ 0 0 28 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.967 106.2 48.5 -60.3 -54.7 88.8 73.1 32.7 157 163 A L H 3< S+ 0 0 3 -4,-2.2 9,-0.4 1,-0.3 -1,-0.2 0.783 107.2 59.2 -57.4 -28.5 90.4 76.4 31.6 158 164 A N T 3< S+ 0 0 116 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.3 0.099 79.0 110.0 -92.9 24.8 87.6 76.8 29.0 159 165 A K S X S- 0 0 74 -3,-1.6 3,-1.9 1,-0.1 7,-0.2 -0.720 76.4-123.3 -94.4 148.9 84.7 76.8 31.4 160 166 A D G > S+ 0 0 159 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.862 112.7 57.1 -58.9 -36.4 82.8 80.1 31.9 161 167 A S G 3 S+ 0 0 89 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.379 105.8 52.3 -76.9 5.2 83.5 79.9 35.6 162 168 A E G <> + 0 0 36 -3,-1.9 4,-2.3 -5,-0.1 3,-0.4 0.087 67.9 124.9-127.0 21.0 87.2 79.7 34.9 163 169 A S H <> S+ 0 0 86 -3,-1.3 4,-1.6 1,-0.2 5,-0.1 0.858 77.9 45.1 -47.1 -48.2 87.5 82.8 32.7 164 170 A S H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.826 109.1 56.1 -70.4 -32.7 90.1 84.4 34.8 165 171 A T H > S+ 0 0 10 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.930 106.8 50.2 -65.5 -44.7 92.1 81.2 35.1 166 172 A L H X S+ 0 0 44 -4,-2.3 4,-2.7 -9,-0.4 -1,-0.2 0.894 110.6 48.4 -60.1 -43.3 92.4 80.9 31.4 167 173 A S H X S+ 0 0 44 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.862 109.8 53.7 -66.4 -33.8 93.6 84.4 31.0 168 174 A M H X S+ 0 0 17 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.913 110.2 47.9 -64.2 -42.6 96.1 83.7 33.7 169 175 A F H X S+ 0 0 46 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.921 111.8 47.7 -65.2 -45.0 97.3 80.7 31.7 170 176 A Q H X S+ 0 0 101 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.783 106.7 58.4 -70.1 -23.5 97.6 82.7 28.5 171 177 A D H X S+ 0 0 97 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.929 108.5 46.0 -68.1 -42.4 99.5 85.5 30.2 172 178 A A H X S+ 0 0 5 -4,-1.7 4,-2.2 -57,-0.3 -2,-0.2 0.911 113.4 48.2 -65.4 -43.6 102.1 83.0 31.3 173 179 A M H X S+ 0 0 87 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.925 112.7 47.6 -64.4 -44.0 102.3 81.4 27.8 174 180 A A H X S+ 0 0 45 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.895 112.4 50.6 -63.5 -39.1 102.6 84.8 26.1 175 181 A S H X S+ 0 0 2 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.870 109.9 51.0 -65.1 -37.1 105.3 85.8 28.7 176 182 A D H < S+ 0 0 38 -4,-2.2 3,-0.5 2,-0.2 4,-0.3 0.936 110.2 46.3 -66.4 -48.8 107.2 82.5 28.0 177 183 A S H >< S+ 0 0 49 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.830 108.0 59.7 -63.2 -31.3 107.2 83.0 24.2 178 184 A R H >< S+ 0 0 120 -4,-1.7 3,-1.9 1,-0.3 4,-0.5 0.855 93.4 64.9 -64.3 -36.0 108.3 86.6 24.8 179 185 A M T 3X S+ 0 0 14 -4,-1.2 4,-1.4 -3,-0.5 3,-0.3 0.626 82.2 79.2 -63.1 -13.6 111.4 85.3 26.6 180 186 A F H <> S+ 0 0 7 -3,-1.3 4,-2.0 -4,-0.3 -1,-0.3 0.810 83.7 62.6 -65.8 -27.3 112.5 83.8 23.3 181 187 A K H <> S+ 0 0 78 -3,-1.9 4,-2.6 -4,-0.3 -1,-0.2 0.908 100.9 51.5 -62.2 -41.0 113.6 87.3 22.4 182 188 A L H > S+ 0 0 49 -4,-0.5 4,-2.3 -3,-0.3 -1,-0.2 0.878 106.1 55.6 -63.2 -36.6 116.1 87.2 25.3 183 189 A V H X S+ 0 0 6 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.914 109.7 45.9 -61.2 -43.2 117.3 83.9 23.9 184 190 A L H >< S+ 0 0 0 -4,-2.0 3,-1.1 2,-0.2 -2,-0.2 0.954 113.1 47.7 -65.3 -51.4 118.1 85.5 20.6 185 191 A Q H >< S+ 0 0 83 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.863 114.0 49.6 -57.6 -36.0 119.8 88.5 22.0 186 192 A E H 3< S+ 0 0 150 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.596 119.4 35.2 -80.8 -13.9 121.8 86.2 24.3 187 193 A N T XX + 0 0 21 -3,-1.1 3,-1.8 -4,-0.8 4,-0.6 -0.200 63.4 142.9-134.9 46.0 122.9 83.9 21.5 188 194 A K H X> + 0 0 88 -3,-0.6 4,-2.5 1,-0.3 3,-1.4 0.881 67.7 72.8 -50.6 -41.3 123.4 86.1 18.4 189 195 A R H 3> S+ 0 0 168 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.811 90.0 60.2 -42.6 -38.8 126.4 83.8 17.5 190 196 A V H <4 S+ 0 0 5 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.864 119.3 22.8 -62.6 -40.6 123.9 81.1 16.6 191 197 A F H X< S+ 0 0 2 -3,-1.4 3,-1.8 -4,-0.6 -2,-0.2 0.559 97.4 98.6-104.3 -11.0 122.2 83.0 13.8 192 198 A E H 3< S+ 0 0 126 -4,-2.5 -3,-0.1 1,-0.3 -2,-0.1 0.852 84.4 41.8 -45.1 -56.8 124.9 85.6 12.9 193 199 A G T 3< S+ 0 0 78 -4,-0.5 2,-0.3 -3,-0.1 -1,-0.3 0.190 92.5 112.5 -84.0 20.9 126.5 84.0 9.9 194 200 A L < - 0 0 25 -3,-1.8 3,-0.1 1,-0.1 -3,-0.0 -0.697 41.8-175.7 -96.9 145.2 123.2 82.9 8.3 195 201 A E S S+ 0 0 144 -2,-0.3 24,-2.5 1,-0.3 2,-0.3 0.763 75.5 19.1-100.6 -36.3 121.6 84.3 5.1 196 202 A S E -c 219 0B 19 22,-0.2 58,-0.8 2,-0.0 2,-0.3 -0.940 59.9-174.1-136.4 157.0 118.4 82.4 5.3 197 203 A L E -cd 220 254B 0 22,-2.8 24,-2.8 -2,-0.3 2,-0.5 -0.988 13.7-149.9-152.5 139.6 116.2 80.5 7.8 198 204 A V E -cd 221 255B 0 56,-2.1 58,-2.8 -2,-0.3 2,-1.0 -0.951 10.3-152.4-115.1 120.3 113.1 78.4 7.7 199 205 A D E > -cd 222 256B 0 22,-2.9 24,-2.0 -2,-0.5 3,-1.3 -0.797 17.2-151.4 -92.4 99.2 110.8 78.4 10.8 200 206 A V E 3 S+c 223 0B 0 56,-1.9 58,-0.4 -2,-1.0 24,-0.2 -0.559 81.4 9.7 -75.1 131.7 109.1 75.1 10.8 201 207 A G T 3 S+ 0 0 1 22,-2.2 -1,-0.3 -2,-0.3 23,-0.2 0.809 84.6 152.6 69.0 28.0 105.7 75.1 12.4 202 208 A G X - 0 0 7 21,-1.5 3,-2.4 -3,-1.3 5,-0.4 0.457 30.7-164.5 -71.4 -0.3 106.0 78.8 12.5 203 209 A G T 3 - 0 0 11 20,-0.3 -1,-0.2 1,-0.3 -2,-0.1 -0.254 66.7 -12.0 55.2-129.0 102.3 79.3 12.4 204 210 A T T 3 S- 0 0 103 -3,-0.1 -1,-0.3 36,-0.0 -2,-0.1 0.381 108.9 -92.7 -85.0 2.7 101.3 82.8 11.5 205 211 A G S <> S+ 0 0 9 -3,-2.4 4,-1.6 18,-0.1 -2,-0.2 0.579 79.3 137.8 101.3 10.3 104.8 84.1 12.0 206 212 A G H > S+ 0 0 48 -4,-0.4 4,-1.1 1,-0.2 -3,-0.1 0.842 79.1 45.0 -57.4 -36.6 105.0 85.3 15.6 207 213 A V H > S+ 0 0 13 -5,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.894 110.3 52.4 -75.5 -41.2 108.4 83.7 16.1 208 214 A T H > S+ 0 0 1 -6,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.791 104.1 60.1 -64.9 -25.7 109.9 84.9 12.9 209 215 A K H X S+ 0 0 125 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.909 106.5 44.7 -68.6 -41.0 108.8 88.4 13.9 210 216 A L H X S+ 0 0 29 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.896 110.9 55.2 -67.4 -40.7 110.9 88.3 17.0 211 217 A I H >X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.8 0.898 107.6 49.7 -58.5 -40.4 113.8 86.9 14.9 212 218 A H H 3< S+ 0 0 34 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.805 98.6 65.5 -71.2 -28.1 113.5 89.9 12.6 213 219 A E H 3< S+ 0 0 80 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.780 117.2 28.8 -62.8 -24.7 113.5 92.3 15.5 214 220 A I H << S+ 0 0 25 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.752 134.4 29.4-104.6 -33.9 117.1 91.0 16.1 215 221 A F >< + 0 0 29 -4,-2.7 3,-1.8 -5,-0.2 -2,-0.2 -0.593 63.3 169.5-128.6 70.4 118.2 90.1 12.6 216 222 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.632 78.6 53.0 -56.9 -14.3 116.3 92.3 10.1 217 223 A H T 3 S+ 0 0 165 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.576 80.7 107.4 -98.9 -11.6 118.4 91.1 7.2 218 224 A L S < S- 0 0 7 -3,-1.8 2,-0.8 -7,-0.1 -22,-0.2 -0.520 72.3-129.0 -71.0 127.5 118.0 87.4 7.7 219 225 A K E -c 196 0B 78 -24,-2.5 -22,-2.8 -2,-0.3 2,-0.4 -0.699 33.2-168.1 -78.7 110.9 115.7 85.9 5.0 220 226 A C E -ce 197 238B 0 17,-2.9 19,-1.6 -2,-0.8 2,-0.5 -0.853 15.2-163.3-108.1 140.6 113.1 84.0 7.0 221 227 A T E -ce 198 239B 7 -24,-2.8 -22,-2.9 -2,-0.4 2,-0.9 -0.983 11.6-149.0-121.3 120.2 110.6 81.5 5.6 222 228 A V E -ce 199 240B 0 17,-4.4 19,-2.5 -2,-0.5 2,-0.5 -0.815 20.5-170.1 -92.1 108.1 107.6 80.6 7.8 223 229 A F E +ce 200 241B 5 -24,-2.0 -22,-2.2 -2,-0.9 -21,-1.5 -0.871 24.0 123.9-105.3 129.0 106.7 77.0 7.0 224 230 A D E - e 0 242B 0 17,-1.8 19,-2.3 -2,-0.5 -24,-0.0 -0.867 61.3 -42.3-159.2-170.0 103.5 75.4 8.2 225 231 A Q >> - 0 0 64 -2,-0.3 4,-2.0 17,-0.2 3,-1.5 -0.401 54.9-114.0 -69.1 144.8 100.3 73.7 7.1 226 232 A P H 3> S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.834 116.6 52.2 -45.3 -41.9 98.5 75.0 4.1 227 233 A Q H 34 S+ 0 0 144 1,-0.2 4,-0.2 2,-0.2 15,-0.0 0.784 109.9 49.0 -70.1 -27.4 95.5 76.0 6.3 228 234 A V H <4 S+ 0 0 45 -3,-1.5 -1,-0.2 2,-0.1 4,-0.1 0.927 120.5 31.8 -78.9 -48.5 97.7 78.0 8.7 229 235 A V H < S+ 0 0 9 -4,-2.0 3,-0.4 1,-0.1 -2,-0.2 0.958 85.3 136.2 -73.0 -51.3 99.7 80.1 6.3 230 236 A G S < S+ 0 0 48 -4,-2.0 -1,-0.1 -5,-0.3 -2,-0.1 -0.154 77.3 1.7 47.0-112.8 97.0 80.3 3.7 231 237 A N S S+ 0 0 160 -4,-0.2 -1,-0.2 -3,-0.1 9,-0.1 0.990 91.4 127.1 -67.3 -64.6 96.8 83.9 2.4 232 238 A L - 0 0 70 -3,-0.4 2,-0.3 -4,-0.1 8,-0.2 0.539 37.7-168.7 -1.7 114.0 99.6 85.6 4.4 233 239 A T - 0 0 128 1,-0.1 6,-0.1 6,-0.1 -1,-0.1 -0.761 6.2-158.2-110.8 160.3 102.0 87.4 2.1 234 240 A G - 0 0 35 -2,-0.3 5,-0.2 4,-0.2 2,-0.2 -0.128 11.3-105.8-118.2-146.2 105.4 88.7 3.3 235 241 A N - 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