==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-MAY-09 3HBF . COMPND 2 MOLECULE: FLAVONOID 3-O-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO TRUNCATULA; . AUTHOR X.WANG,L.MODOLO,L.LI,R.DIXON . 443 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 30 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 4 0 4 1 2 1 1 0 2 1 2 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 4 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 12 A N 0 0 94 0, 0.0 33,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.8 39.3 17.3 27.1 2 13 A L + 0 0 130 31,-0.1 31,-0.1 2,-0.0 104,-0.1 0.452 360.0 127.8-108.2 -1.7 40.1 13.6 27.5 3 14 A L - 0 0 43 439,-0.1 31,-2.0 29,-0.1 2,-0.4 -0.270 36.0-169.9 -59.6 139.1 37.0 11.9 26.3 4 15 A H E -a 34 0A 0 102,-0.3 104,-3.1 29,-0.2 105,-1.5 -0.966 7.3-157.4-136.6 117.1 37.6 9.2 23.6 5 16 A V E -ab 35 109A 1 29,-3.9 31,-2.9 -2,-0.4 2,-0.5 -0.850 4.3-158.2-100.4 118.2 34.7 7.6 21.6 6 17 A A E -ab 36 110A 0 103,-2.5 105,-2.9 -2,-0.6 2,-0.6 -0.840 8.7-160.8 -94.6 127.8 35.4 4.2 20.1 7 18 A V E -ab 37 111A 0 29,-3.4 31,-3.3 -2,-0.5 2,-0.7 -0.935 3.0-163.2-115.5 111.9 33.1 3.5 17.1 8 19 A L E -ab 38 112A 0 103,-2.7 105,-1.7 -2,-0.6 2,-0.3 -0.841 13.1-169.3 -99.8 115.3 32.7 -0.2 16.0 9 20 A A - 0 0 0 29,-2.7 7,-0.1 -2,-0.7 31,-0.1 -0.773 24.2-125.2-107.6 145.8 31.1 -0.6 12.6 10 21 A F - 0 0 4 -2,-0.3 6,-0.6 1,-0.1 5,-0.3 -0.744 19.8-149.5 -84.0 122.1 29.8 -3.6 10.7 11 22 A P + 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.552 68.2 77.8 -73.7 -3.6 31.7 -3.8 7.4 12 23 A F S S- 0 0 51 2,-0.1 -2,-0.1 69,-0.1 4,-0.1 -0.813 90.8 -10.3-113.9 148.9 28.8 -5.5 5.4 13 24 A G S S- 0 0 57 -2,-0.3 2,-1.2 1,-0.2 3,-0.4 -0.283 115.0 -32.3 70.7-157.4 25.6 -4.1 3.9 14 25 A T S S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.1 331,-0.1 -0.669 109.0 97.3 -98.8 78.1 24.4 -0.6 4.7 15 26 A H S > S+ 0 0 29 -2,-1.2 4,-1.7 -5,-0.3 -1,-0.2 0.647 71.4 51.5-128.6 -47.6 25.7 -0.4 8.2 16 27 A A H > S+ 0 0 5 -6,-0.6 4,-2.7 -3,-0.4 5,-0.2 0.880 108.8 51.1 -66.5 -41.9 29.1 1.4 8.3 17 28 A A H > S+ 0 0 29 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.963 111.8 44.7 -63.5 -53.2 28.0 4.5 6.4 18 29 A P H > S+ 0 0 11 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.909 115.2 49.2 -59.9 -37.6 24.9 5.2 8.5 19 30 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.939 112.1 49.0 -64.6 -44.0 26.9 4.7 11.7 20 31 A L H X S+ 0 0 7 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.898 109.4 51.5 -62.3 -41.2 29.6 7.0 10.4 21 32 A S H X S+ 0 0 10 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.860 110.3 48.8 -65.8 -35.0 27.1 9.7 9.4 22 33 A L H X S+ 0 0 3 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.964 113.0 48.8 -65.8 -49.2 25.6 9.6 12.9 23 34 A V H X S+ 0 0 2 -4,-2.7 4,-3.4 1,-0.2 -2,-0.2 0.897 109.2 51.9 -56.2 -45.4 29.1 9.8 14.4 24 35 A K H X S+ 0 0 11 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.908 106.1 54.2 -60.0 -42.0 30.0 12.8 12.1 25 36 A K H X S+ 0 0 66 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.940 114.7 41.3 -57.1 -46.2 26.9 14.7 13.2 26 37 A I H X S+ 0 0 2 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.920 112.4 56.0 -66.8 -45.6 28.0 14.2 16.8 27 38 A A H >< S+ 0 0 0 -4,-3.4 3,-0.9 1,-0.2 6,-0.2 0.878 103.8 50.4 -55.7 -47.1 31.7 14.9 16.1 28 39 A T H 3< S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.871 110.1 53.4 -62.1 -34.3 31.2 18.3 14.5 29 40 A E H 3< S+ 0 0 112 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.663 116.1 38.9 -73.2 -18.6 29.1 19.3 17.6 30 41 A A X< + 0 0 13 -3,-0.9 3,-1.9 -4,-0.8 -1,-0.3 -0.553 64.0 167.2-133.5 69.8 31.9 18.2 19.9 31 42 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.632 76.2 59.1 -59.4 -14.0 35.2 19.3 18.4 32 43 A K T 3 S+ 0 0 166 -3,-0.1 2,-0.3 2,-0.1 -29,-0.1 0.580 89.5 84.1 -92.4 -11.8 37.1 18.6 21.6 33 44 A V S < S- 0 0 13 -3,-1.9 2,-0.4 -6,-0.2 -29,-0.2 -0.710 77.3-128.0 -93.2 142.5 36.1 15.0 21.9 34 45 A T E -a 4 0A 23 -31,-2.0 -29,-3.9 -2,-0.3 2,-0.4 -0.775 20.9-163.0 -93.9 131.7 38.2 12.3 20.1 35 46 A F E -ac 5 58A 3 22,-3.2 24,-2.4 -2,-0.4 2,-0.5 -0.937 5.5-167.5-116.2 135.1 36.5 9.8 17.8 36 47 A S E -ac 6 59A 0 -31,-2.9 -29,-3.4 -2,-0.4 2,-0.6 -0.977 8.2-157.4-123.9 118.0 37.9 6.5 16.5 37 48 A F E -ac 7 60A 1 22,-2.9 24,-2.9 -2,-0.5 2,-0.5 -0.852 8.8-164.3-100.9 121.3 36.1 4.7 13.7 38 49 A F E +ac 8 61A 0 -31,-3.3 -29,-2.7 -2,-0.6 2,-0.3 -0.908 30.5 115.6-112.6 125.8 36.8 0.9 13.4 39 50 A C E - c 0 62A 0 22,-1.8 24,-3.3 -2,-0.5 2,-0.1 -0.892 65.7 -58.3-162.8-173.8 36.0 -1.2 10.4 40 51 A T > - 0 0 9 -2,-0.3 4,-3.1 22,-0.3 5,-0.3 -0.433 47.1-113.6 -80.1 156.4 37.8 -3.2 7.8 41 52 A T H > S+ 0 0 66 22,-0.4 4,-2.7 1,-0.2 5,-0.2 0.913 117.6 52.0 -52.5 -47.1 40.4 -1.6 5.5 42 53 A T H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 112.7 42.5 -54.8 -56.0 38.1 -2.2 2.5 43 54 A T H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.887 115.5 49.2 -62.8 -40.6 35.1 -0.5 4.1 44 55 A N H < S+ 0 0 8 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.891 107.9 54.3 -66.6 -39.0 37.1 2.4 5.5 45 56 A D H < S+ 0 0 113 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.898 109.2 48.8 -61.0 -38.8 38.8 3.0 2.1 46 57 A T H < S+ 0 0 112 -4,-1.8 2,-1.3 -5,-0.2 -1,-0.2 0.871 102.0 69.1 -66.6 -37.7 35.3 3.2 0.6 47 58 A L S < S+ 0 0 20 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 -0.686 82.8 104.2 -84.7 92.9 34.3 5.6 3.4 48 59 A F + 0 0 115 -2,-1.3 6,-0.1 6,-0.0 5,-0.1 -0.943 66.1 11.1-172.2 150.0 36.4 8.7 2.5 49 60 A S S S+ 0 0 78 4,-0.9 4,-0.3 -2,-0.3 5,-0.1 0.777 83.3 142.8 50.0 34.7 36.5 12.2 1.0 50 61 A R S S- 0 0 103 3,-0.3 3,-0.3 2,-0.3 -1,-0.1 -0.119 73.4 -52.8 -87.7-170.2 32.6 12.3 1.0 51 62 A S S S+ 0 0 34 1,-0.3 2,-2.0 2,-0.1 3,-0.2 0.834 144.4 43.3 -28.0 -65.8 30.4 15.3 1.8 52 63 A N S S- 0 0 62 1,-0.2 -2,-0.3 193,-0.0 -1,-0.3 -0.546 84.8-167.2 -85.0 71.4 32.3 15.9 5.1 53 64 A E - 0 0 89 -2,-2.0 -4,-0.9 -4,-0.3 -3,-0.3 0.793 65.6 -20.8 -25.5 -54.7 35.7 15.3 3.4 54 65 A F - 0 0 133 -3,-0.2 -1,-0.1 -5,-0.1 -6,-0.0 -0.993 50.6-147.1-161.3 155.6 37.1 15.1 6.9 55 66 A L > - 0 0 24 -2,-0.3 3,-2.0 3,-0.3 -27,-0.0 -0.998 23.4-135.4-125.7 126.2 36.6 16.0 10.5 56 67 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 0.756 103.4 51.1 -53.8 -28.3 39.7 16.7 12.6 57 68 A N T 3 S+ 0 0 17 -23,-0.1 -22,-3.2 -30,-0.0 2,-0.5 0.314 93.1 86.1 -96.7 11.6 38.5 14.7 15.5 58 69 A I E < +c 35 0A 16 -3,-2.0 2,-0.4 -24,-0.2 -3,-0.3 -0.949 52.0 177.5-114.1 118.7 37.7 11.5 13.5 59 70 A K E -c 36 0A 89 -24,-2.4 -22,-2.9 -2,-0.5 2,-0.3 -0.957 19.3-139.2-118.7 138.1 40.4 9.0 12.9 60 71 A Y E -c 37 0A 59 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.765 17.4-174.9 -98.7 142.1 39.9 5.6 11.1 61 72 A Y E -c 38 0A 16 -24,-2.9 -22,-1.8 -2,-0.3 2,-0.6 -0.985 23.0-125.1-134.5 143.8 41.5 2.3 12.1 62 73 A N E -c 39 0A 65 -2,-0.3 -22,-0.3 -24,-0.2 2,-0.3 -0.798 17.0-155.0 -96.2 121.4 41.3 -1.0 10.3 63 74 A V - 0 0 3 -24,-3.3 -22,-0.4 -2,-0.6 29,-0.1 -0.657 36.9 -95.4 -87.5 147.4 40.0 -4.1 12.2 64 75 A H - 0 0 114 27,-0.3 27,-0.1 -2,-0.3 -1,-0.1 -0.429 28.4-144.1 -64.2 138.8 41.3 -7.5 10.9 65 76 A D - 0 0 61 2,-0.1 -1,-0.1 -2,-0.1 23,-0.1 0.467 27.1-123.2 -85.8 -3.3 38.8 -9.1 8.5 66 77 A G + 0 0 30 1,-0.2 20,-0.1 21,-0.1 -2,-0.1 0.595 63.5 138.9 73.2 10.6 39.3 -12.7 9.5 67 78 A L - 0 0 59 4,-0.0 -1,-0.2 1,-0.0 -2,-0.1 -0.712 53.3-121.5 -93.2 139.2 40.2 -13.8 6.0 68 79 A P > - 0 0 81 0, 0.0 3,-0.6 0, 0.0 -1,-0.0 -0.442 42.4 -88.1 -73.0 149.9 43.0 -16.3 5.3 69 80 A K T 3 S+ 0 0 215 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.308 115.4 19.0 -58.5 138.9 45.8 -15.1 3.0 70 81 A G T 3 S+ 0 0 75 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.924 91.0 175.2 65.1 43.7 45.1 -15.7 -0.6 71 82 A Y < - 0 0 62 -3,-0.6 2,-0.4 -4,-0.1 -1,-0.2 -0.653 10.5-179.3 -87.2 139.1 41.4 -16.1 0.1 72 83 A V - 0 0 112 -2,-0.3 2,-0.1 0, 0.0 0, 0.0 -0.995 31.4-107.1-137.1 141.2 38.9 -16.5 -2.8 73 84 A S + 0 0 85 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.404 54.8 136.1 -68.9 142.5 35.2 -16.9 -2.7 74 85 A S + 0 0 106 2,-0.3 -1,-0.2 -2,-0.1 0, 0.0 0.361 64.3 45.8-149.3 -53.3 33.7 -20.3 -3.4 75 86 A G S S- 0 0 48 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.997 117.6 -40.5 -64.1 -78.0 31.0 -21.3 -1.0 76 87 A N > - 0 0 113 0, 0.0 3,-1.7 0, 0.0 -2,-0.3 -0.950 50.9-103.9-149.2 164.5 28.7 -18.3 -0.7 77 88 A P T 3 S+ 0 0 103 0, 0.0 4,-0.2 0, 0.0 -4,-0.0 0.470 118.4 66.0 -72.2 1.3 28.9 -14.5 -0.5 78 89 A R T 3> S+ 0 0 105 1,-0.1 4,-2.6 2,-0.1 3,-0.3 0.581 78.0 86.6 -93.9 -14.2 28.1 -14.9 3.2 79 90 A E H <> S+ 0 0 57 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.917 88.0 46.5 -52.9 -53.0 31.4 -16.7 3.8 80 91 A P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.813 111.4 53.7 -64.0 -26.6 33.5 -13.6 4.4 81 92 A I H > S+ 0 0 24 -3,-0.3 4,-2.8 -4,-0.2 -2,-0.2 0.938 109.5 47.0 -70.2 -47.7 30.8 -12.3 6.7 82 93 A F H X S+ 0 0 58 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.916 111.3 51.6 -59.6 -43.5 31.0 -15.5 8.8 83 94 A L H X S+ 0 0 38 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.909 110.7 49.3 -61.4 -40.9 34.8 -15.3 8.8 84 95 A F H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 3,-0.5 0.945 109.5 50.2 -62.9 -48.0 34.5 -11.7 10.1 85 96 A I H >< S+ 0 0 19 -4,-2.8 3,-0.5 1,-0.2 4,-0.4 0.843 98.7 72.3 -59.1 -33.7 32.1 -12.6 12.8 86 97 A K H 3< S+ 0 0 181 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 117.6 10.4 -48.2 -54.7 34.4 -15.5 14.0 87 98 A A H 3X S+ 0 0 37 -4,-0.9 4,-2.5 -3,-0.5 -1,-0.2 0.174 91.8 115.5-117.7 19.6 37.1 -13.3 15.5 88 99 A M H S+ 0 0 51 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.949 115.6 37.2 -60.7 -47.7 35.4 -9.5 19.3 90 101 A E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 117.0 52.4 -72.3 -35.3 39.2 -10.1 19.8 91 102 A N H X S+ 0 0 21 -4,-2.5 4,-2.4 2,-0.2 -27,-0.3 0.857 107.4 51.1 -69.9 -34.7 40.1 -8.3 16.6 92 103 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.904 109.7 51.4 -68.6 -37.0 38.2 -5.2 17.6 93 104 A K H X S+ 0 0 45 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.915 109.7 51.1 -62.6 -42.2 40.0 -5.3 21.0 94 105 A H H >X S+ 0 0 105 -4,-2.1 4,-0.7 1,-0.2 3,-0.7 0.972 112.9 42.2 -58.6 -58.3 43.3 -5.5 19.1 95 106 A V H >X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 3,-0.5 0.792 106.5 64.3 -63.1 -26.6 42.7 -2.5 16.9 96 107 A I H 3X S+ 0 0 7 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.906 95.1 60.1 -63.4 -37.4 41.2 -0.6 19.8 97 108 A D H - d 0 133A 0 -105,-1.7 3,-1.9 -2,-0.3 21,-0.2 -0.576 45.0-120.4 -70.7 141.5 26.4 -1.3 15.5 114 125 A A T 3 S+ 0 0 0 19,-3.0 20,-0.2 1,-0.3 -1,-0.1 0.756 110.0 74.0 -57.0 -24.1 23.7 -3.0 17.5 115 126 A F T 3 S+ 0 0 16 18,-0.3 2,-2.0 1,-0.2 -1,-0.3 0.843 76.5 85.2 -57.7 -32.9 24.8 -6.3 15.9 116 127 A F X + 0 0 0 -3,-1.9 3,-1.8 1,-0.2 -1,-0.2 -0.483 54.3 171.9 -76.1 81.6 27.9 -6.2 18.2 117 128 A W T > + 0 0 33 -2,-2.0 3,-1.3 1,-0.3 4,-0.4 0.830 69.8 71.1 -57.6 -35.4 26.4 -7.8 21.3 118 129 A F T 3> S+ 0 0 0 1,-0.3 4,-2.9 -3,-0.2 -1,-0.3 0.517 71.8 94.3 -63.1 -3.3 29.8 -7.9 22.9 119 130 A G H <> S+ 0 0 0 -3,-1.8 4,-3.0 1,-0.2 -1,-0.3 0.874 79.2 54.9 -57.4 -40.1 29.6 -4.2 23.3 120 131 A A H <> S+ 0 0 7 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.960 114.1 38.7 -59.6 -53.2 28.1 -4.5 26.9 121 132 A D H > S+ 0 0 55 -4,-0.4 4,-2.3 2,-0.2 5,-0.2 0.915 117.4 50.3 -65.3 -42.1 31.0 -6.6 28.1 122 133 A L H X S+ 0 0 5 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.914 111.8 48.3 -62.2 -41.8 33.6 -4.7 26.2 123 134 A A H <>S+ 0 0 4 -4,-3.0 5,-2.9 -5,-0.3 4,-0.5 0.903 110.1 54.1 -64.3 -41.1 32.2 -1.4 27.6 124 135 A E H ><5S+ 0 0 126 -4,-2.3 3,-1.3 -5,-0.2 -2,-0.2 0.932 107.5 45.9 -60.8 -51.7 32.2 -2.9 31.1 125 136 A E H 3<5S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.776 114.7 50.1 -66.6 -22.4 35.9 -3.9 31.2 126 137 A M T 3<5S- 0 0 42 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.517 109.8-123.9 -90.4 -5.0 36.9 -0.6 29.8 127 138 A H T < 5S+ 0 0 172 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.967 70.1 130.3 58.0 52.5 34.8 1.3 32.3 128 139 A A < - 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0 0 42 -2,-0.3 4,-1.4 0, 0.0 5,-0.1 0.026 65.7 -58.4-111.3-139.8 6.7 -26.3 17.7 156 167 A S H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 6,-0.3 0.904 131.5 54.0 -76.7 -43.7 6.6 -28.1 14.4 157 168 A K H 4>S+ 0 0 127 1,-0.2 5,-2.2 2,-0.2 6,-0.3 0.910 109.9 48.5 -56.5 -44.7 3.4 -26.4 13.2 158 169 A E H >45S+ 0 0 18 1,-0.2 3,-1.3 4,-0.2 18,-0.7 0.934 111.9 48.2 -61.5 -49.2 4.9 -23.0 13.7 159 170 A V H 3<5S+ 0 0 52 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.757 110.5 53.3 -64.1 -26.3 8.1 -23.9 11.9 160 171 A H T 3<5S- 0 0 130 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 -0.064 117.1-108.8-101.9 32.7 6.2 -25.3 9.0 161 172 A D T < 5S+ 0 0 65 -3,-1.3 -3,-0.2 2,-0.1 -2,-0.1 0.538 89.1 118.2 54.6 8.3 4.0 -22.2 8.4 162 173 A V S S- 0 0 1 -3,-0.3 3,-1.3 4,-0.3 -1,-0.2 -0.907 78.9-119.7-118.1 132.1 4.2 -7.9 17.3 169 180 A P T 3 S+ 0 0 26 0, 0.0 51,-0.1 0, 0.0 54,-0.0 -0.304 100.8 13.3 -60.8 141.5 1.6 -5.4 18.5 170 181 A G T 3 S+ 0 0 48 1,-0.2 50,-0.1 49,-0.1 49,-0.0 0.762 106.9 115.9 62.7 27.6 -0.3 -3.8 15.7 171 182 A F S < S- 0 0 22 -3,-1.3 -1,-0.2 1,-0.1 3,-0.1 -0.898 71.7-105.0-127.1 153.8 1.0 -6.5 13.2 172 183 A P - 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0 0 16 -73,-0.6 21,-0.4 -2,-0.2 22,-0.2 0.481 58.5-118.1 -94.6 -4.3 13.8 -5.2 -1.9 342 353 A S + 0 0 0 1,-0.2 27,-0.1 16,-0.2 -73,-0.1 0.811 46.9 173.0 72.3 35.8 12.6 -3.2 1.2 343 354 A G > - 0 0 10 1,-0.1 4,-2.0 26,-0.1 -1,-0.2 -0.426 43.5-113.8 -65.3 151.4 15.9 -2.7 2.9 344 355 A W H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 112.9 51.0 -60.1 -45.2 15.2 -0.3 5.8 345 356 A N H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 112.3 48.8 -60.0 -38.9 17.3 2.7 4.5 346 357 A S H > S+ 0 0 14 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.848 109.0 53.4 -68.0 -33.8 15.5 2.5 1.2 347 358 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.944 112.4 44.0 -66.1 -45.5 12.1 2.3 3.0 348 359 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.853 112.3 51.1 -67.4 -36.6 12.8 5.5 4.9 349 360 A E H X S+ 0 0 38 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.851 111.6 49.5 -68.8 -32.9 14.2 7.4 1.9 350 361 A C H X>S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 5,-1.7 0.858 106.5 54.6 -73.8 -36.5 11.1 6.4 -0.0 351 362 A I H <5S+ 0 0 1 -4,-1.8 -2,-0.2 2,-0.2 66,-0.2 0.921 111.4 45.1 -63.6 -42.0 8.8 7.6 2.8 352 363 A V H <5S+ 0 0 12 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 113.1 51.0 -69.5 -33.7 10.5 11.0 2.7 353 364 A G H <5S- 0 0 17 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.783 106.4-134.1 -71.6 -26.3 10.3 11.0 -1.1 354 365 A G T <5 + 0 0 4 -4,-1.9 -3,-0.2 1,-0.2 60,-0.1 0.815 52.2 144.3 76.8 36.2 6.6 10.2 -0.8 355 366 A V < - 0 0 2 -5,-1.7 -1,-0.2 58,-0.1 -18,-0.1 -0.891 51.2-117.7-113.0 132.7 6.5 7.4 -3.4 356 367 A P - 0 0 1 0, 0.0 -18,-1.9 0, 0.0 2,-0.3 -0.241 35.4-137.0 -60.2 153.2 4.4 4.2 -3.3 357 368 A M E -kl 338 380C 0 22,-1.7 24,-2.2 -20,-0.2 2,-0.5 -0.838 19.2-160.3-118.5 154.8 6.4 0.9 -3.2 358 369 A I E -kl 339 381C 4 -20,-2.6 -18,-2.9 -2,-0.3 2,-0.4 -0.999 29.2-154.9-123.7 124.0 6.3 -2.5 -4.8 359 370 A S E +kl 340 382C 1 22,-3.0 24,-1.3 -2,-0.5 -18,-0.2 -0.889 29.6 170.7-114.6 137.9 8.3 -4.9 -2.6 360 371 A R - 0 0 35 -20,-2.3 7,-0.1 -2,-0.4 28,-0.1 -0.744 27.7-157.3-138.3 81.3 10.1 -8.1 -3.4 361 372 A P - 0 0 28 0, 0.0 -19,-0.1 0, 0.0 3,-0.1 -0.261 16.7-179.8 -63.6 148.3 12.1 -9.0 -0.3 362 373 A F - 0 0 57 -21,-0.4 2,-0.3 1,-0.4 -20,-0.1 0.757 53.0 -26.2-116.9 -48.2 15.2 -11.3 -0.4 363 374 A F S > S+ 0 0 86 -22,-0.2 3,-2.1 -182,-0.0 -1,-0.4 -0.875 96.2 26.6-156.3-173.6 16.7 -11.8 3.0 364 375 A G T 3 S- 0 0 22 -2,-0.3 -183,-1.4 1,-0.3 3,-0.3 -0.260 122.9 -17.1 55.8-125.7 17.3 -10.5 6.5 365 376 A D T 3> S+ 0 0 31 -185,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.364 109.5 102.0 -92.3 0.8 14.6 -8.1 7.8 366 377 A Q H <> S+ 0 0 8 -3,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.862 77.0 53.0 -55.7 -42.5 13.2 -7.5 4.3 367 378 A G H > S+ 0 0 25 -3,-0.3 4,-1.9 1,-0.2 3,-0.2 0.936 111.5 45.8 -60.1 -47.0 10.3 -9.8 4.6 368 379 A L H > S+ 0 0 0 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.836 109.6 54.5 -67.2 -31.5 9.2 -8.1 7.8 369 380 A N H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.824 107.3 52.7 -69.5 -29.7 9.7 -4.6 6.3 370 381 A T H X S+ 0 0 10 -4,-1.7 4,-2.8 -3,-0.2 5,-0.3 0.910 108.6 47.5 -70.6 -42.8 7.4 -5.7 3.4 371 382 A I H X>S+ 0 0 18 -4,-1.9 4,-1.9 1,-0.2 5,-1.2 0.896 112.2 53.2 -64.0 -37.1 4.6 -6.8 5.8 372 383 A L H <>S+ 0 0 5 -4,-1.8 5,-3.3 1,-0.2 4,-0.5 0.911 115.1 37.9 -63.8 -45.6 5.1 -3.5 7.6 373 384 A T H <5S+ 0 0 0 -4,-2.1 6,-2.5 3,-0.2 7,-1.2 0.801 126.9 36.1 -78.4 -30.2 4.7 -1.4 4.4 374 385 A E H <5S+ 0 0 74 -4,-2.8 -3,-0.2 4,-0.2 -2,-0.2 0.948 129.9 22.1 -86.5 -56.8 2.0 -3.5 2.9 375 386 A S T <5S+ 0 0 61 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.682 133.3 29.2 -88.3 -22.8 -0.3 -4.7 5.8 376 387 A V T - 0 0 8 -24,-1.3 3,-2.6 -2,-0.2 4,-0.1 -0.720 49.0 -82.5 -93.5 146.4 4.4 -9.1 -5.4 384 395 A D G > S- 0 0 69 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 -0.133 113.3 -0.2 -46.2 136.6 2.3 -12.3 -5.5 385 396 A N G 3 S- 0 0 151 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.576 115.2 -86.8 57.2 13.0 4.2 -15.3 -3.9 386 397 A G G < S+ 0 0 28 -3,-2.6 2,-0.3 1,-0.2 -1,-0.3 0.729 101.7 106.4 63.3 21.2 7.2 -13.0 -3.2 387 398 A V S < S- 0 0 55 -3,-1.7 2,-0.7 -4,-0.1 -1,-0.2 -0.958 73.6-113.7-132.8 152.1 8.7 -13.6 -6.6 388 399 A L + 0 0 4 -2,-0.3 2,-0.3 -3,-0.1 -106,-0.2 -0.751 45.8 154.5 -88.0 111.4 9.0 -11.6 -9.8 389 400 A T > - 0 0 48 -2,-0.7 4,-3.5 -107,-0.1 5,-0.3 -0.930 58.3-108.9-130.4 156.5 7.0 -12.9 -12.7 390 401 A K H > S+ 0 0 53 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.889 123.8 47.1 -48.7 -39.0 5.5 -11.2 -15.7 391 402 A E H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 113.9 42.3 -70.5 -50.8 2.2 -11.8 -14.0 392 403 A S H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -8,-0.2 0.903 116.6 51.4 -65.3 -37.6 3.0 -10.6 -10.5 393 404 A I H X S+ 0 0 5 -4,-3.5 4,-2.4 2,-0.2 5,-0.2 0.958 110.1 45.3 -63.3 -54.8 5.0 -7.6 -11.9 394 405 A K H X S+ 0 0 67 -4,-2.1 4,-2.0 -5,-0.3 5,-0.2 0.874 112.3 54.0 -60.0 -35.9 2.2 -6.3 -14.1 395 406 A K H X S+ 0 0 118 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.930 111.1 43.9 -63.2 -45.8 -0.3 -6.8 -11.3 396 407 A A H X S+ 0 0 3 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 0.860 112.4 53.0 -68.3 -37.2 1.7 -4.7 -8.8 397 408 A L H X S+ 0 0 9 -4,-2.4 4,-3.2 2,-0.2 5,-0.5 0.917 110.4 45.6 -65.5 -45.8 2.5 -2.0 -11.4 398 409 A E H X S+ 0 0 132 -4,-2.0 4,-1.8 3,-0.2 5,-0.2 0.893 112.2 52.2 -65.7 -38.6 -1.1 -1.4 -12.4 399 410 A L H < S+ 0 0 63 -4,-1.7 7,-0.6 -5,-0.2 4,-0.3 0.864 121.5 31.8 -64.9 -38.1 -2.2 -1.4 -8.7 400 411 A T H < S+ 0 0 8 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.765 131.4 32.7 -92.0 -29.0 0.4 1.3 -7.8 401 412 A M H < S+ 0 0 41 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.841 131.9 18.8 -97.5 -38.5 0.5 3.1 -11.1 402 413 A S S < S+ 0 0 92 -4,-1.8 2,-0.3 -5,-0.5 -3,-0.2 0.135 104.1 81.0-124.0 22.2 -3.0 3.0 -12.6 403 414 A S S >> S- 0 0 40 -4,-0.3 3,-0.8 -5,-0.2 4,-0.8 -0.827 81.1-113.3-125.2 166.3 -5.5 2.1 -9.8 404 415 A E H >> S+ 0 0 167 -2,-0.3 4,-1.9 1,-0.3 3,-0.5 0.823 115.4 65.9 -63.1 -31.3 -7.2 4.0 -7.0 405 416 A K H 3> S+ 0 0 71 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.836 93.1 60.1 -60.2 -33.3 -5.1 1.9 -4.6 406 417 A G H <> S+ 0 0 8 -3,-0.8 4,-2.1 -7,-0.6 -1,-0.3 0.885 106.2 47.4 -61.9 -37.5 -2.1 3.7 -6.0 407 418 A G H < S+ 0 0 145 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.900 105.2 55.0 -65.6 -39.8 7.7 16.9 12.3 423 434 A A H 3< S+ 0 0 3 -4,-1.9 7,-1.9 1,-0.2 8,-1.6 0.802 110.6 46.8 -62.6 -30.1 9.9 14.4 14.3 424 435 A V T 3< S+ 0 0 36 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.414 85.4 115.1 -94.5 0.1 13.0 16.1 13.0 425 436 A E S X S- 0 0 119 -3,-1.1 3,-3.3 -4,-0.4 6,-0.3 -0.263 90.8 -84.7 -64.9 161.5 11.9 19.8 13.6 426 437 A Q T 3 S+ 0 0 174 1,-0.3 -1,-0.1 5,-0.1 -4,-0.0 0.770 130.6 22.1 -37.1 -44.6 13.9 21.8 16.1 427 438 A N T 3 S+ 0 0 127 -5,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.136 97.0 128.1-114.8 22.1 11.9 20.4 19.0 428 439 A G S <> S- 0 0 9 -3,-3.3 4,-2.1 -7,-0.1 -5,-0.2 -0.185 75.9 -98.6 -70.7 169.1 10.6 17.3 17.4 429 440 A T H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -196,-0.2 0.844 121.6 43.5 -59.4 -36.6 10.9 13.9 19.0 430 441 A S H > S+ 0 0 0 -7,-1.9 4,-2.8 2,-0.2 -6,-0.2 0.919 109.6 54.2 -76.8 -43.6 14.0 12.9 17.0 431 442 A A H > S+ 0 0 23 -8,-1.6 4,-1.5 -6,-0.3 -2,-0.2 0.918 112.8 47.4 -54.3 -42.0 15.8 16.2 17.3 432 443 A M H X S+ 0 0 96 -4,-2.1 4,-2.1 -9,-0.3 -1,-0.2 0.890 110.3 48.2 -68.5 -42.7 15.4 15.8 21.0 433 444 A D H X S+ 0 0 34 -4,-1.8 4,-3.2 -200,-0.3 -1,-0.2 0.886 110.3 55.3 -66.3 -31.4 16.6 12.2 21.2 434 445 A F H X S+ 0 0 4 -4,-2.8 4,-2.4 -201,-0.3 -1,-0.2 0.854 106.6 49.1 -67.7 -35.5 19.5 13.2 19.1 435 446 A T H X S+ 0 0 93 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.885 112.8 47.9 -69.9 -38.6 20.5 15.9 21.6 436 447 A T H X S+ 0 0 49 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.947 110.6 52.0 -65.0 -46.8 20.2 13.3 24.4 437 448 A L H X S+ 0 0 2 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.924 109.5 49.6 -54.2 -48.4 22.3 10.9 22.3 438 449 A I H X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.906 110.4 50.2 -59.9 -43.1 25.0 13.6 21.9 439 450 A Q H < S+ 0 0 99 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.914 111.9 46.9 -62.0 -45.9 25.1 14.4 25.6 440 451 A I H >< S+ 0 0 16 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.934 115.5 45.9 -62.7 -45.3 25.4 10.8 26.6 441 452 A V H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.827 119.0 39.8 -67.5 -35.0 28.2 10.1 24.0 442 453 A T T 3< 0 0 34 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.178 360.0 360.0-103.9 17.7 30.2 13.3 24.8 443 454 A S < 0 0 71 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.2 0.728 360.0 360.0-116.0 360.0 29.8 13.4 28.6