==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-MAY-07 2PQ6 . COMPND 2 MOLECULE: UDP-GLUCURONOSYL/UDP-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO TRUNCATULA; . AUTHOR L.LI,L.V.MODOLO,L.L.ESCAMILLA-TREVINO,X.WANG . 443 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 70.9 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 . 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 . 25 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 0 1 3 3 3 0 2 1 3 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 5 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 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 8 A K 0 0 131 0, 0.0 2,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 138.7 34.7 22.3 4.7 2 9 A P - 0 0 36 0, 0.0 29,-3.3 0, 0.0 2,-0.4 -0.445 360.0-170.6 -67.0 135.9 33.5 19.7 7.3 3 10 A H E -a 31 0A 0 27,-0.2 91,-2.6 -2,-0.1 92,-1.8 -0.946 0.6-169.7-132.4 112.4 30.5 17.8 6.0 4 11 A V E -ab 32 95A 0 27,-2.3 29,-1.9 -2,-0.4 2,-0.6 -0.853 12.6-151.2-107.6 134.7 28.7 15.4 8.4 5 12 A V E -ab 33 96A 0 90,-2.1 92,-2.3 -2,-0.4 2,-0.4 -0.902 20.0-167.3-101.3 123.6 26.0 12.9 7.4 6 13 A M E +ab 34 97A 0 27,-3.0 29,-3.3 -2,-0.6 92,-0.2 -0.933 10.9 176.3-116.5 134.1 23.6 12.4 10.2 7 14 A I E - b 0 98A 3 90,-1.3 92,-2.7 -2,-0.4 2,-0.2 -0.956 7.9-165.2-140.9 122.0 21.0 9.6 10.5 8 15 A P - 0 0 3 0, 0.0 7,-0.1 0, 0.0 6,-0.0 -0.606 40.0 -87.9 -99.8 163.0 18.6 8.8 13.4 9 16 A Y - 0 0 10 -2,-0.2 2,-2.3 1,-0.1 5,-0.3 -0.511 57.9-101.0 -64.0 138.8 16.6 5.7 14.1 10 17 A P S S+ 0 0 5 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.078 90.9 92.8 -58.9 36.9 13.2 6.4 12.2 11 18 A V S >> S- 0 0 43 -2,-2.3 4,-2.6 1,-0.1 3,-2.4 -0.977 81.6-117.8-132.6 147.9 11.1 7.5 15.2 12 19 A Q H 3> S+ 0 0 71 -2,-0.4 4,-2.6 1,-0.3 -1,-0.1 0.843 111.8 63.0 -49.3 -41.1 10.4 10.9 16.5 13 20 A G H 34 S+ 0 0 27 1,-0.2 -1,-0.3 2,-0.2 335,-0.1 0.673 114.9 32.4 -60.4 -19.2 12.0 10.1 19.9 14 21 A H H <> S+ 0 0 37 -3,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.717 115.4 56.5-106.0 -35.2 15.3 9.6 18.1 15 22 A I H X S+ 0 0 3 -4,-2.6 4,-2.3 -6,-0.2 5,-0.2 0.937 103.3 55.6 -63.1 -46.7 14.9 12.1 15.3 16 23 A N H X S+ 0 0 67 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.931 108.6 43.3 -55.2 -55.1 14.4 15.0 17.7 17 24 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.924 115.7 48.4 -60.9 -40.8 17.5 14.7 19.8 18 25 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.854 108.5 55.4 -66.6 -32.5 19.8 14.1 16.8 19 26 A F H X S+ 0 0 65 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.916 105.7 51.4 -65.3 -41.5 18.2 17.1 15.1 20 27 A K H X S+ 0 0 57 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.912 110.1 48.9 -60.4 -43.2 19.1 19.3 18.1 21 28 A L H X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.918 106.9 57.6 -62.2 -40.6 22.7 18.0 17.8 22 29 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.905 104.6 50.4 -54.9 -44.7 22.5 18.8 14.1 23 30 A K H X S+ 0 0 30 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.889 111.1 49.4 -62.5 -38.4 21.7 22.4 14.9 24 31 A L H X S+ 0 0 1 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.919 111.6 47.6 -66.4 -44.5 24.7 22.5 17.3 25 32 A L H <>S+ 0 0 1 -4,-3.0 5,-1.9 1,-0.2 3,-0.3 0.856 109.9 53.9 -66.0 -33.4 27.0 21.0 14.7 26 33 A H H ><5S+ 0 0 36 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.915 104.6 53.2 -67.1 -41.7 25.7 23.5 12.1 27 34 A L H 3<5S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.729 105.3 60.4 -63.5 -19.4 26.5 26.4 14.4 28 35 A R T 3<5S- 0 0 79 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.162 126.9 -91.7 -97.2 18.7 29.9 24.9 14.5 29 36 A G T < 5S+ 0 0 33 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.484 77.9 138.2 91.2 3.1 30.8 25.1 10.8 30 37 A F < - 0 0 5 -5,-1.9 2,-0.5 -8,-0.1 -1,-0.3 -0.650 52.5-133.1 -87.7 138.2 29.6 21.7 9.6 31 38 A H E -a 3 0A 11 -29,-3.3 -27,-2.3 -2,-0.3 2,-0.4 -0.756 37.1-143.9 -80.6 132.4 27.8 21.3 6.3 32 39 A I E -ac 4 48A 0 15,-3.6 17,-3.5 -2,-0.5 2,-0.5 -0.861 28.8-177.3-111.6 139.8 24.9 19.1 7.3 33 40 A T E -ac 5 49A 1 -29,-1.9 -27,-3.0 -2,-0.4 2,-0.6 -0.953 16.0-165.3-128.0 105.7 23.1 16.2 5.5 34 41 A F E -ac 6 50A 0 15,-2.8 17,-2.9 -2,-0.5 2,-0.7 -0.861 7.8-150.9 -97.9 122.2 20.2 15.0 7.8 35 42 A V E + c 0 51A 1 -29,-3.3 2,-0.2 -2,-0.6 17,-0.2 -0.822 21.3 168.6-103.3 108.6 18.9 11.6 6.6 36 43 A N E - c 0 52A 4 15,-2.5 17,-1.5 -2,-0.7 2,-0.1 -0.679 39.1-105.5-106.7 162.8 15.2 10.8 7.3 37 44 A T E > - c 0 53A 4 15,-0.2 4,-3.1 -2,-0.2 5,-0.2 -0.509 39.0-106.9 -80.8 159.1 13.1 7.9 6.0 38 45 A E H > S+ 0 0 84 15,-1.6 4,-2.6 1,-0.2 5,-0.2 0.941 121.7 54.5 -51.1 -49.6 10.6 9.0 3.3 39 46 A Y H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.896 114.7 38.1 -50.8 -48.8 7.8 8.5 5.9 40 47 A N H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.818 112.5 57.8 -75.6 -30.8 9.5 10.8 8.4 41 48 A H H X S+ 0 0 47 -4,-3.1 4,-1.2 2,-0.2 -2,-0.2 0.884 106.0 50.1 -66.4 -38.1 10.7 13.3 5.8 42 49 A K H < S+ 0 0 142 -4,-2.6 3,-0.5 -5,-0.2 -2,-0.2 0.946 110.4 49.4 -64.5 -48.8 7.1 13.8 4.6 43 50 A R H < S+ 0 0 141 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.926 106.6 54.6 -56.4 -50.4 5.8 14.4 8.1 44 51 A L H < 0 0 78 -4,-2.2 -1,-0.2 0, 0.0 -2,-0.2 0.811 360.0 360.0 -56.8 -31.3 8.5 17.0 9.0 45 52 A L < 0 0 165 -4,-1.2 -4,-0.0 -3,-0.5 -3,-0.0 -0.413 360.0 360.0 -61.5 360.0 7.6 19.0 5.9 46 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 47 65 A D 0 0 98 0, 0.0 -15,-3.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 14.1 24.7 24.0 4.2 48 66 A F E +c 32 0A 40 -17,-0.2 2,-0.5 2,-0.0 -15,-0.2 -0.794 360.0 177.9-137.8 92.9 21.9 22.2 6.0 49 67 A N E -c 33 0A 60 -17,-3.5 -15,-2.8 -2,-0.3 2,-0.5 -0.847 21.6-149.9-109.1 132.5 20.2 19.6 3.7 50 68 A F E +c 34 0A 89 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.817 22.5 177.8 -94.3 127.0 17.5 17.1 4.4 51 69 A E E -c 35 0A 46 -17,-2.9 -15,-2.5 -2,-0.5 2,-0.3 -0.841 11.5-150.7-122.7 163.6 17.6 13.9 2.4 52 70 A S E -c 36 0A 47 -2,-0.3 -15,-0.2 -17,-0.2 -17,-0.1 -0.961 9.4-171.2-136.7 154.3 15.4 10.9 2.5 53 71 A I E -c 37 0A 7 -17,-1.5 -15,-1.6 -2,-0.3 -14,-0.2 -0.978 35.9 -98.8-139.7 149.8 15.7 7.2 1.8 54 72 A P - 0 0 62 0, 0.0 -17,-0.0 0, 0.0 0, 0.0 -0.321 20.0-148.8 -66.1 155.0 13.0 4.5 1.6 55 73 A D - 0 0 17 2,-0.2 17,-0.1 -45,-0.0 3,-0.1 0.461 34.2-122.0-102.4 -4.3 12.5 2.4 4.8 56 74 A G + 0 0 51 1,-0.2 2,-0.3 16,-0.0 17,-0.0 0.764 68.5 125.5 71.5 26.7 11.5 -0.7 2.8 57 75 A L 0 0 49 1,-0.0 -1,-0.2 11,-0.0 -2,-0.2 -0.786 360.0 360.0-114.8 160.2 8.1 -1.1 4.5 58 76 A T 0 0 198 -2,-0.3 -1,-0.0 -3,-0.1 0, 0.0 -0.462 360.0 360.0 -70.2 360.0 4.6 -1.4 3.0 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 86 A Q 0 0 95 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.8 4.9 2.5 12.4 61 87 A D > - 0 0 89 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.615 360.0-149.7 -76.4 117.4 5.6 -0.8 14.1 62 88 A V H > S+ 0 0 42 -2,-0.6 4,-3.2 1,-0.2 5,-0.3 0.910 94.1 50.0 -52.1 -53.6 8.9 -0.7 15.9 63 89 A P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.913 112.6 48.4 -54.8 -43.8 9.8 -4.5 15.5 64 90 A T H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.920 113.4 47.5 -62.9 -43.5 9.0 -4.3 11.8 65 91 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.948 110.7 50.1 -62.9 -51.1 11.1 -1.1 11.4 66 92 A C H X S+ 0 0 1 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.915 108.7 54.8 -53.6 -43.3 14.1 -2.6 13.3 67 93 A Q H < S+ 0 0 97 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.896 111.3 43.1 -58.4 -42.6 13.8 -5.7 11.1 68 94 A S H >X S+ 0 0 5 -4,-1.8 4,-3.7 1,-0.2 3,-1.3 0.877 108.0 59.9 -71.9 -36.8 14.1 -3.5 8.0 69 95 A V H 3< S+ 0 0 4 -4,-2.9 4,-0.4 1,-0.3 5,-0.2 0.803 99.2 58.8 -60.3 -30.5 16.9 -1.4 9.5 70 96 A R T 3< S+ 0 0 84 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.664 128.3 6.8 -75.2 -16.7 19.1 -4.5 9.9 71 97 A K T <4 S+ 0 0 131 -3,-1.3 4,-0.3 -4,-0.4 -2,-0.2 0.619 124.1 52.9-137.4 -26.4 19.0 -5.3 6.2 72 98 A N S < S+ 0 0 77 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.1 0.417 98.8 58.8 -99.5 2.7 17.4 -2.7 4.0 73 99 A F S > S+ 0 0 1 -5,-0.5 4,-2.1 -4,-0.4 5,-0.2 0.805 85.2 71.5-100.6 -32.2 19.2 0.5 4.9 74 100 A L H > S+ 0 0 37 -5,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 99.2 47.9 -49.1 -54.4 22.9 -0.1 4.2 75 101 A K H > S+ 0 0 154 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.962 114.8 39.9 -57.5 -62.2 22.5 -0.0 0.4 76 102 A P H > S+ 0 0 26 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.855 115.4 56.2 -58.7 -30.3 20.5 3.2 -0.1 77 103 A Y H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.949 110.3 42.6 -64.2 -49.8 22.6 4.8 2.6 78 104 A C H X S+ 0 0 19 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.854 110.8 56.2 -65.3 -36.0 25.8 4.0 0.8 79 105 A E H X S+ 0 0 111 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.911 107.5 50.4 -61.1 -39.7 24.3 5.1 -2.5 80 106 A L H X S+ 0 0 12 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.904 109.4 49.8 -64.9 -42.5 23.5 8.4 -0.9 81 107 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 12,-0.2 0.934 109.5 52.1 -61.5 -46.9 27.1 8.8 0.3 82 108 A T H X S+ 0 0 65 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.931 111.6 46.5 -54.6 -48.5 28.4 8.0 -3.1 83 109 A R H >< S+ 0 0 115 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.898 110.0 52.1 -63.1 -42.6 26.2 10.7 -4.7 84 110 A L H >< S+ 0 0 4 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.855 108.1 53.5 -62.5 -34.2 27.1 13.3 -2.1 85 111 A N H 3< S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.663 115.6 38.8 -74.3 -17.9 30.8 12.6 -2.8 86 112 A H T << S+ 0 0 157 -3,-0.8 -1,-0.2 -4,-0.8 2,-0.2 0.209 91.6 114.0-115.9 11.5 30.3 13.2 -6.5 87 113 A S < - 0 0 26 -3,-0.7 -3,-0.0 -4,-0.3 -4,-0.0 -0.560 53.2-156.9 -83.7 148.3 27.8 16.1 -6.2 88 114 A T S S+ 0 0 134 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.1 0.585 90.0 65.8 -96.6 -14.2 28.9 19.5 -7.4 89 115 A N S S+ 0 0 141 1,-0.1 -1,-0.1 2,-0.1 -5,-0.1 0.653 107.9 31.0 -81.6 -18.3 26.3 21.2 -5.2 90 116 A V S S- 0 0 22 -6,-0.2 -3,-0.1 -59,-0.0 3,-0.1 -0.967 84.6-101.7-141.8 157.4 27.9 20.2 -1.9 91 117 A P - 0 0 35 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.326 55.0 -85.4 -72.1 158.2 31.4 19.4 -0.5 92 118 A P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 -7,-0.1 -0.271 51.4 -93.8 -64.2 153.5 32.5 15.8 -0.1 93 119 A V + 0 0 9 -12,-0.2 -89,-0.2 1,-0.1 3,-0.1 -0.468 41.0 176.3 -68.0 134.4 31.4 14.0 3.1 94 120 A T - 0 0 14 -91,-2.6 2,-0.3 1,-0.3 -90,-0.2 0.581 60.6 -1.7-114.4 -19.1 34.1 14.1 5.8 95 121 A C E -b 4 0A 0 -92,-1.8 -90,-2.1 19,-0.2 2,-0.4 -0.991 57.0-128.2-164.8 169.4 32.4 12.3 8.7 96 122 A L E -bd 5 116A 0 19,-2.5 21,-2.8 -2,-0.3 2,-0.6 -0.984 4.7-167.5-131.6 136.9 29.3 10.6 10.1 97 123 A V E -bd 6 117A 1 -92,-2.3 -90,-1.3 -2,-0.4 2,-0.4 -0.948 29.3-178.7-120.5 104.8 27.2 11.1 13.2 98 124 A S E -bd 7 118A 0 19,-2.1 21,-2.6 -2,-0.6 2,-0.1 -0.870 33.1-110.4-115.0 142.5 25.0 8.1 13.4 99 125 A D E > - d 0 119A 0 -92,-2.7 3,-2.2 -2,-0.4 21,-0.2 -0.423 32.6-125.1 -62.8 135.9 22.3 6.9 15.8 100 126 A C T 3 S+ 0 0 3 19,-2.6 3,-0.3 1,-0.3 -1,-0.1 0.795 110.5 59.7 -54.2 -32.9 23.6 3.9 17.7 101 127 A C T 3 S+ 0 0 6 18,-0.3 2,-0.7 1,-0.3 -1,-0.3 0.629 91.5 70.0 -73.4 -13.8 20.5 1.9 16.6 102 128 A M X + 0 0 0 -3,-2.2 3,-2.0 -95,-0.2 -1,-0.3 -0.440 63.0 156.8 -98.9 57.1 21.6 2.4 13.0 103 129 A S T >> + 0 0 5 -2,-0.7 3,-1.9 1,-0.3 4,-0.6 0.664 54.6 79.9 -60.0 -19.0 24.6 0.1 13.4 104 130 A F H 3> S+ 0 0 7 1,-0.3 4,-1.8 -35,-0.2 3,-0.3 0.721 79.4 74.0 -62.0 -16.9 24.8 -0.6 9.7 105 131 A T H <> S+ 0 0 0 -3,-2.0 4,-2.9 1,-0.2 -1,-0.3 0.766 83.7 65.5 -66.6 -25.8 26.6 2.8 9.5 106 132 A I H <> S+ 0 0 52 -3,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.925 103.9 44.4 -62.1 -45.1 29.7 1.2 11.1 107 133 A Q H X S+ 0 0 85 -4,-0.6 4,-2.4 -3,-0.3 -2,-0.2 0.950 113.1 51.6 -63.5 -48.4 30.1 -1.0 8.0 108 134 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.899 107.9 52.8 -54.1 -45.2 29.5 2.0 5.7 109 135 A A H <>S+ 0 0 8 -4,-2.9 5,-2.2 1,-0.2 4,-0.5 0.880 108.6 49.3 -60.5 -40.9 32.1 4.1 7.6 110 136 A E H ><5S+ 0 0 157 -4,-1.8 3,-0.7 3,-0.2 -1,-0.2 0.938 112.9 47.6 -64.8 -45.6 34.7 1.4 7.1 111 137 A E H 3<5S+ 0 0 101 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.913 119.3 37.8 -61.6 -45.7 34.0 1.1 3.4 112 138 A F T 3<5S- 0 0 50 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.380 107.7-125.9 -88.4 4.8 34.0 4.8 2.8 113 139 A E T < 5 + 0 0 173 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.952 58.7 145.0 48.6 61.8 36.9 5.3 5.2 114 140 A L < - 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0 0 5 -5,-2.7 -1,-0.2 57,-0.2 -2,-0.1 -0.894 45.3-128.4-111.0 124.6 10.4 19.5 37.7 359 393 A P - 0 0 2 0, 0.0 -18,-1.5 0, 0.0 2,-0.2 -0.235 32.3-141.0 -61.3 153.3 9.5 16.4 39.8 360 394 A M E -kl 341 383C 1 22,-2.4 24,-1.6 -20,-0.2 2,-0.4 -0.740 21.4-151.6-123.8 168.0 7.9 13.6 38.0 361 395 A L E -kl 342 384C 2 -20,-2.2 -18,-2.4 -2,-0.2 2,-0.3 -0.964 31.1-150.2-134.8 109.2 5.2 10.9 38.2 362 396 A a E +kl 343 385C 0 22,-2.8 24,-4.0 -2,-0.4 -18,-0.2 -0.697 25.5 179.2 -93.1 139.4 6.2 7.9 36.0 363 397 A W - 0 0 10 -20,-2.0 2,-0.1 -2,-0.3 24,-0.1 -0.699 26.3-153.9-131.8 74.6 3.9 5.5 34.2 364 398 A P + 0 0 17 0, 0.0 -19,-0.1 0, 0.0 3,-0.1 -0.313 23.2 168.6 -56.8 122.4 6.5 3.2 32.5 365 399 A F - 0 0 116 -21,-0.3 2,-0.3 1,-0.3 -20,-0.0 0.856 53.2 -38.3-101.7 -57.0 5.1 1.5 29.4 366 400 A F S > S+ 0 0 66 -22,-0.1 3,-1.9 -190,-0.0 -1,-0.3 -0.929 95.5 24.7-159.2-177.3 8.1 -0.1 27.6 367 401 A A T 3 S- 0 0 10 -2,-0.3 -192,-1.9 1,-0.3 4,-0.3 -0.280 123.7 -9.5 56.0-127.6 11.7 0.0 26.5 368 402 A D T 3> S+ 0 0 19 -194,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.323 110.8 97.7 -84.8 8.1 13.9 2.2 28.7 369 403 A Q H <> S+ 0 0 20 -3,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.923 83.6 44.4 -65.9 -45.9 11.0 3.6 30.6 370 404 A P H > S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.871 112.3 56.1 -67.5 -28.3 11.1 1.3 33.6 371 405 A T H > S+ 0 0 0 -4,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.937 110.3 43.0 -64.0 -46.7 14.9 1.9 33.6 372 406 A D H X S+ 0 0 2 -4,-2.3 4,-3.0 -27,-0.2 -1,-0.2 0.895 111.9 55.6 -66.0 -40.2 14.3 5.7 33.8 373 407 A C H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.899 103.0 54.6 -59.6 -43.7 11.6 5.2 36.4 374 408 A R H X>S+ 0 0 35 -4,-2.3 4,-2.5 2,-0.2 5,-0.8 0.885 113.9 41.2 -60.1 -40.0 13.9 3.2 38.7 375 409 A F H X>S+ 0 0 13 -4,-1.4 5,-3.1 3,-0.2 4,-1.0 0.926 114.2 52.0 -72.0 -46.4 16.5 6.0 38.7 376 410 A I H <5S+ 0 0 0 -4,-3.0 6,-1.9 3,-0.2 7,-1.0 0.903 121.6 33.2 -55.7 -44.1 13.8 8.7 39.0 377 411 A C H <5S+ 0 0 27 -4,-3.0 -2,-0.2 4,-0.2 -3,-0.2 0.945 134.9 17.7 -80.4 -52.1 12.3 7.0 42.0 378 412 A N H <5S+ 0 0 84 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.762 129.5 35.1 -97.1 -28.1 15.2 5.3 43.8 379 413 A E T < - 0 0 92 -110,-0.1 4,-2.3 1,-0.1 3,-0.3 -0.999 26.0-130.6-136.9 132.1 -6.7 3.8 39.6 392 426 A R H > S+ 0 0 79 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.822 102.1 56.5 -50.4 -44.7 -8.0 7.3 40.3 393 427 A E H > S+ 0 0 145 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.937 115.2 36.7 -57.1 -50.7 -7.9 7.1 44.1 394 428 A E H > S+ 0 0 103 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.837 115.9 55.0 -71.8 -33.7 -4.2 6.2 44.3 395 429 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.947 105.8 51.2 -64.6 -48.5 -3.4 8.5 41.4 396 430 A A H X S+ 0 0 11 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.870 109.9 52.2 -56.4 -37.8 -5.0 11.5 43.1 397 431 A K H X S+ 0 0 150 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.945 109.3 47.3 -64.2 -49.8 -2.9 10.6 46.1 398 432 A L H X S+ 0 0 40 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.909 111.4 51.5 -58.1 -45.4 0.4 10.5 44.2 399 433 A I H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.921 110.8 47.4 -58.9 -46.3 -0.4 13.8 42.5 400 434 A N H X>S+ 0 0 42 -4,-2.1 4,-3.2 -5,-0.2 5,-1.8 0.874 107.6 56.9 -65.2 -35.4 -1.2 15.6 45.7 401 435 A E H <5S+ 0 0 58 -4,-2.2 7,-1.2 3,-0.2 4,-0.5 0.948 113.4 39.7 -59.9 -47.7 2.0 14.2 47.3 402 436 A V H <5S+ 0 0 12 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.919 121.6 42.5 -67.2 -45.3 4.1 15.8 44.6 403 437 A I H <5S- 0 0 30 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.876 140.7 -4.1 -73.3 -39.3 2.1 19.0 44.4 404 438 A A T <5S+ 0 0 61 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.547 104.1 101.7-132.1 -13.1 1.6 19.8 48.1 405 439 A G S > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.859 116.7 56.9 -72.4 -37.1 6.3 16.8 52.0 407 441 A K H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 103.9 56.5 -60.2 -37.3 7.8 14.2 49.7 408 442 A G H > S+ 0 0 3 -7,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.889 102.5 52.7 -61.6 -41.7 7.0 16.6 46.8 409 443 A K H X S+ 0 0 138 -4,-1.1 4,-2.0 -8,-0.2 -1,-0.2 0.899 110.0 49.4 -62.0 -40.2 9.1 19.4 48.4 410 444 A K H X S+ 0 0 136 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.878 111.2 49.1 -66.4 -38.7 12.0 17.1 48.7 411 445 A M H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.861 110.1 50.4 -68.9 -36.4 11.7 15.9 45.1 412 446 A K H X S+ 0 0 76 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.902 110.2 52.1 -67.9 -38.8 11.5 19.5 43.8 413 447 A Q H X S+ 0 0 108 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.929 112.5 43.1 -61.4 -48.2 14.6 20.2 45.9 414 448 A K H X S+ 0 0 68 -4,-2.2 4,-2.0 -33,-0.2 -1,-0.2 0.853 113.0 53.7 -68.2 -33.0 16.6 17.3 44.4 415 449 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.941 108.0 49.1 -65.7 -46.8 15.2 18.2 40.9 416 450 A M H X S+ 0 0 79 -4,-2.7 4,-1.9 -59,-0.3 -1,-0.2 0.834 108.6 54.8 -61.7 -33.2 16.5 21.8 41.2 417 451 A E H X S+ 0 0 80 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.918 109.9 45.5 -65.7 -43.8 19.8 20.5 42.3 418 452 A L H X S+ 0 0 19 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.878 108.9 57.3 -66.8 -37.0 20.1 18.3 39.2 419 453 A K H X S+ 0 0 32 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.913 106.0 49.8 -58.8 -44.9 19.0 21.2 37.1 420 454 A K H X S+ 0 0 128 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.894 113.3 44.5 -63.3 -42.0 21.8 23.4 38.3 421 455 A K H X S+ 0 0 76 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.841 108.4 58.5 -72.1 -32.2 24.5 20.7 37.6 422 456 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.893 111.1 43.1 -61.8 -38.8 22.9 20.0 34.2 423 457 A E H < S+ 0 0 31 -4,-1.8 3,-0.2 2,-0.2 -2,-0.2 0.864 110.8 52.1 -76.3 -38.6 23.5 23.7 33.4 424 458 A E H >< S+ 0 0 75 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.894 109.4 52.9 -66.0 -35.4 27.0 23.9 34.8 425 459 A N H 3< S+ 0 0 10 -4,-2.2 8,-2.5 1,-0.2 7,-0.4 0.785 106.2 53.7 -68.4 -28.7 28.0 20.9 32.8 426 460 A T T 3< S+ 0 0 2 -4,-0.8 -1,-0.2 -3,-0.2 -188,-0.2 -0.067 100.7 60.3-103.4 33.3 26.8 22.3 29.5 427 461 A R S X S- 0 0 95 -3,-0.9 3,-3.0 1,-0.1 6,-0.2 -0.940 105.2 -49.8-146.7 164.6 28.6 25.7 29.3 428 462 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.013 129.1 26.4 -38.4 135.2 32.2 26.7 29.3 429 463 A G T 3 S+ 0 0 71 1,-0.3 2,-0.2 -4,-0.1 -4,-0.1 0.126 99.1 115.1 93.3 -20.6 34.1 24.9 32.0 430 464 A G <> - 0 0 6 -3,-3.0 4,-2.7 -7,-0.1 -1,-0.3 -0.601 67.3-133.3 -87.8 146.3 31.6 22.0 32.1 431 465 A C H > S+ 0 0 57 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.855 104.4 51.1 -64.5 -41.5 32.5 18.4 31.1 432 466 A S H > S+ 0 0 0 -7,-0.4 4,-1.7 2,-0.2 -6,-0.2 0.944 114.8 45.7 -61.4 -45.4 29.6 17.7 28.8 433 467 A Y H > S+ 0 0 65 -8,-2.5 4,-1.6 -6,-0.2 -2,-0.2 0.938 115.3 46.2 -60.4 -49.0 30.4 20.9 27.0 434 468 A M H X S+ 0 0 104 -4,-2.7 4,-2.3 -9,-0.3 -1,-0.2 0.833 107.0 59.1 -65.2 -33.5 34.1 20.1 26.9 435 469 A N H X S+ 0 0 29 -4,-2.7 4,-2.3 -207,-0.2 -1,-0.2 0.894 104.5 49.0 -63.6 -42.2 33.4 16.5 25.7 436 470 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.927 110.8 50.7 -64.3 -43.9 31.6 17.6 22.6 437 471 A N H X S+ 0 0 53 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.918 110.9 50.0 -58.8 -43.6 34.4 20.0 21.7 438 472 A K H X S+ 0 0 93 -4,-2.3 4,-3.4 2,-0.2 5,-0.4 0.898 109.4 49.6 -63.4 -42.6 36.9 17.2 22.2 439 473 A V H X>S+ 0 0 1 -4,-2.3 5,-2.1 2,-0.2 4,-2.0 0.910 113.3 47.0 -64.0 -41.5 35.0 14.7 20.0 440 474 A I H <>S+ 0 0 16 -4,-2.3 5,-2.4 3,-0.2 -2,-0.2 0.955 118.8 41.3 -63.2 -49.1 34.7 17.3 17.2 441 475 A K H <5S+ 0 0 155 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.934 125.2 31.9 -65.4 -50.0 38.4 18.2 17.5 442 476 A D H <5S+ 0 0 90 -4,-3.4 -3,-0.2 -5,-0.2 -1,-0.2 0.659 135.6 13.4 -85.9 -19.3 39.9 14.7 17.9 443 477 A V T <5S+ 0 0 43 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.735 122.0 44.2-122.2 -58.6 37.5 12.6 15.9 444 478 A L T