==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 28-DEC-12 4IKZ . COMPND 2 MOLECULE: DI-TRIPEPTIDE ABC TRANSPORTER (PERMEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR S.DOKI,H.E.KATO,R.ISHITANI,O.NUREKI . 485 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 80.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 2 0.4 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 . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 0 1 1 2 0 0 0 0 0 0 0 1 0 2 0 2 0 1 0 1 2 1 1 2 1 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL 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 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 S 0 0 116 0, 0.0 2,-0.4 0, 0.0 217,-0.0 0.000 360.0 360.0 360.0 145.9 27.3 31.6 28.7 2 4 A I - 0 0 62 213,-0.0 213,-0.1 2,-0.0 5,-0.0 -0.952 360.0-103.5-122.2 142.1 23.9 32.2 30.4 3 5 A D > - 0 0 98 -2,-0.4 4,-1.7 1,-0.1 3,-0.4 -0.320 28.5-121.7 -65.3 146.2 21.9 29.8 32.6 4 6 A K H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.771 107.2 59.9 -62.0 -30.2 18.9 28.2 30.9 5 7 A Q H > S+ 0 0 110 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.926 106.5 44.8 -64.9 -46.8 16.4 29.5 33.5 6 8 A Q H > S+ 0 0 41 -3,-0.4 4,-0.5 2,-0.2 -2,-0.2 0.880 115.3 49.2 -65.4 -39.2 17.2 33.2 32.8 7 9 A I H >< S+ 0 0 1 -4,-1.7 3,-1.3 1,-0.2 204,-0.4 0.933 110.0 50.0 -64.1 -48.2 17.1 32.6 29.1 8 10 A A H >< S+ 0 0 5 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.769 103.2 61.9 -63.6 -26.9 13.8 30.8 29.2 9 11 A A H 3< S+ 0 0 87 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.691 99.7 54.7 -73.6 -18.9 12.3 33.6 31.3 10 12 A S T << S+ 0 0 40 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.503 93.0 85.8 -91.6 -6.4 12.9 36.1 28.4 11 13 A V S < S- 0 0 4 -3,-0.8 2,-0.5 -4,-0.4 198,-0.1 -0.873 87.8-120.3-100.1 119.2 10.9 33.9 26.0 12 14 A P - 0 0 43 0, 0.0 9,-0.8 0, 0.0 10,-0.5 -0.431 23.0-157.8 -55.6 108.5 7.2 34.4 25.9 13 15 A Q S S+ 0 0 51 -2,-0.5 2,-0.3 7,-0.2 3,-0.0 0.447 70.7 56.2 -77.5 0.0 6.0 30.9 26.9 14 16 A R + 0 0 190 1,-0.1 7,-0.7 3,-0.0 8,-0.0 -0.968 68.4 75.8-130.6 148.2 2.6 31.4 25.3 15 17 A G B S+A 20 0A 52 4,-0.3 2,-0.7 -2,-0.3 6,-0.1 -0.093 75.0 67.2 154.1 -46.7 1.5 32.3 21.8 16 18 A F S S- 0 0 31 3,-2.7 3,-0.3 1,-0.1 7,-0.0 -0.761 120.5 -49.8-115.1 87.0 1.7 29.6 19.2 17 19 A F S S- 0 0 172 -2,-0.7 -1,-0.1 1,-0.2 -3,-0.0 0.934 118.8 -37.4 55.1 56.0 -0.7 26.7 19.9 18 20 A G S S+ 0 0 41 1,-0.3 -1,-0.2 0, 0.0 133,-0.1 0.608 129.5 92.2 74.1 11.7 0.1 26.1 23.6 19 21 A H S S- 0 0 17 -3,-0.3 -3,-2.7 1,-0.1 -4,-0.3 -0.818 91.0 -72.9-127.4 166.2 3.8 26.9 22.8 20 22 A P B > -A 15 0A 0 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.305 39.7-124.8 -54.4 145.5 6.0 29.9 22.8 21 23 A K T 3> S+ 0 0 85 -9,-0.8 4,-0.9 -7,-0.7 187,-0.1 0.543 108.6 74.1 -71.8 -6.0 5.3 32.3 19.9 22 24 A G H 3> S+ 0 0 0 -10,-0.5 4,-1.9 186,-0.4 -1,-0.3 0.643 83.9 65.6 -77.7 -17.0 9.0 31.9 19.2 23 25 A L H <> S+ 0 0 0 -3,-1.7 4,-3.2 2,-0.2 5,-0.2 0.859 96.7 55.1 -70.0 -37.1 8.2 28.5 17.8 24 26 A F H > S+ 0 0 77 -4,-0.5 4,-1.8 1,-0.2 5,-0.2 0.914 109.3 48.3 -56.2 -45.3 6.1 30.2 15.1 25 27 A T H X S+ 0 0 0 -4,-0.9 4,-1.3 1,-0.2 -2,-0.2 0.890 117.5 39.9 -62.7 -42.4 9.3 32.1 14.3 26 28 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.793 112.0 55.5 -83.4 -30.0 11.5 29.0 14.2 27 29 A F H X S+ 0 0 28 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.967 115.1 37.4 -63.1 -53.5 9.0 26.7 12.5 28 30 A F H X S+ 0 0 63 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.775 112.3 57.9 -75.2 -28.8 8.5 29.0 9.5 29 31 A T H X S+ 0 0 3 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.955 114.8 37.6 -62.9 -50.0 12.2 30.1 9.3 30 32 A E H X S+ 0 0 1 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.860 115.1 56.8 -69.1 -36.1 13.3 26.5 8.9 31 33 A F H X S+ 0 0 17 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.956 109.6 42.3 -59.3 -54.2 10.3 25.7 6.8 32 34 A W H X S+ 0 0 60 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.837 114.7 51.9 -64.7 -34.2 11.0 28.3 4.1 33 35 A E H X S+ 0 0 1 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.933 114.1 42.7 -65.5 -47.6 14.7 27.5 4.2 34 36 A R H X S+ 0 0 9 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.885 113.0 55.8 -61.4 -40.5 13.9 23.8 3.7 35 37 A F H X S+ 0 0 14 -4,-3.1 4,-2.3 -5,-0.2 5,-0.2 0.953 110.8 41.9 -56.9 -55.3 11.3 24.9 1.1 36 38 A S H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.914 115.9 50.3 -59.1 -45.9 13.8 26.9 -1.0 37 39 A Y H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.926 115.5 40.3 -60.6 -49.4 16.5 24.1 -0.6 38 40 A Y H X S+ 0 0 42 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.818 116.7 50.3 -72.5 -32.3 14.2 21.3 -1.7 39 41 A G H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.3 -2,-0.2 0.936 113.2 45.0 -68.8 -48.3 12.6 23.3 -4.4 40 42 A M H >X S+ 0 0 2 -4,-2.9 4,-1.0 1,-0.2 3,-0.5 0.875 114.7 49.7 -60.7 -38.5 15.9 24.4 -5.8 41 43 A R H 3X S+ 0 0 47 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.773 100.4 66.6 -71.8 -26.5 17.2 20.8 -5.5 42 44 A A H 3< S+ 0 0 3 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.794 117.5 20.9 -67.1 -30.2 14.1 19.5 -7.3 43 45 A I H S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 11,-0.3 0.912 107.6 57.9 -69.0 -42.6 17.6 18.9 -14.9 47 49 A Y H < S+ 0 0 3 -4,-2.4 10,-1.8 1,-0.2 11,-0.2 0.782 107.2 51.3 -57.3 -28.2 18.8 22.5 -15.2 48 50 A M H < S+ 0 0 0 -4,-1.3 11,-2.5 8,-0.2 -1,-0.2 0.947 119.6 26.9 -77.4 -51.6 22.4 21.1 -15.4 49 51 A Y H < S+ 0 0 19 -4,-1.6 -2,-0.2 9,-0.3 -3,-0.1 0.613 92.2 106.0 -95.2 -12.9 22.2 18.5 -18.2 50 52 A Y S < S- 0 0 57 -4,-2.4 8,-2.2 -5,-0.2 9,-0.2 -0.409 85.4 -95.4 -60.2 141.8 19.2 19.9 -20.2 51 53 A E > > - 0 0 121 6,-0.2 3,-1.9 7,-0.1 5,-1.8 -0.231 30.4-112.9 -62.7 152.8 20.5 21.4 -23.4 52 54 A V G > 5S+ 0 0 108 1,-0.3 3,-1.0 3,-0.2 -1,-0.1 0.747 117.6 56.2 -61.2 -26.0 21.1 25.2 -23.4 53 55 A S G 3 5S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.601 102.8 55.9 -82.6 -12.3 18.2 25.7 -25.9 54 56 A K G < 5S- 0 0 69 -3,-1.9 -1,-0.2 -7,-0.1 -2,-0.2 0.111 130.0 -97.1-100.0 18.5 15.9 24.0 -23.4 55 57 A G T < 5S+ 0 0 36 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.196 90.3 118.4 89.6 -15.2 16.9 26.5 -20.8 56 58 A G S - 0 0 103 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.493 37.2-128.0 -67.1 140.0 27.0 15.6 -19.2 61 63 A E H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.863 109.3 53.2 -60.8 -38.1 24.3 13.8 -17.2 62 64 A H H > S+ 0 0 59 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.854 110.1 48.8 -65.0 -35.6 26.9 11.8 -15.3 63 65 A L H > S+ 0 0 33 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.929 112.1 48.0 -68.5 -45.9 28.6 15.0 -14.3 64 66 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.915 113.2 47.4 -60.1 -45.7 25.3 16.6 -13.2 65 67 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.823 110.4 53.3 -66.1 -32.6 24.4 13.6 -11.2 66 68 A A H X S+ 0 0 8 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.876 107.2 51.0 -69.9 -38.5 27.8 13.5 -9.6 67 69 A I H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.890 109.2 51.3 -65.1 -40.7 27.5 17.1 -8.5 68 70 A M H X S+ 0 0 11 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.919 110.1 47.9 -62.6 -46.4 24.2 16.5 -6.9 69 71 A S H X S+ 0 0 3 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.852 114.6 47.2 -63.8 -35.7 25.5 13.5 -4.9 70 72 A I H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.868 102.9 65.1 -71.5 -37.8 28.5 15.6 -3.8 71 73 A Y H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.912 101.8 46.6 -50.6 -54.0 26.2 18.6 -2.9 72 74 A G H X S+ 0 0 3 -4,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.868 109.5 54.3 -60.4 -40.0 24.5 16.8 -0.1 73 75 A A H X S+ 0 0 7 -4,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.885 111.4 45.5 -62.2 -40.2 27.7 15.5 1.4 74 76 A L H X S+ 0 0 43 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.886 113.6 49.7 -69.1 -40.5 29.1 19.0 1.5 75 77 A V H X S+ 0 0 11 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.934 112.2 46.9 -63.6 -48.6 25.9 20.3 3.0 76 78 A Y H >X S+ 0 0 67 -4,-3.0 3,-0.6 1,-0.2 4,-0.5 0.917 114.9 46.1 -58.6 -46.5 25.8 17.6 5.7 77 79 A M H >X S+ 0 0 43 -4,-2.0 4,-1.0 1,-0.2 3,-0.6 0.764 103.6 65.3 -69.3 -25.7 29.4 18.2 6.6 78 80 A S H 3X S+ 0 0 14 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.815 90.5 63.9 -68.4 -31.7 28.9 21.9 6.6 79 81 A G H S+ 0 0 48 -4,-2.1 5,-3.3 2,-0.2 4,-1.7 0.881 113.1 43.8 -61.9 -41.8 31.1 28.4 14.7 86 88 A A H <>S+ 0 0 0 -4,-2.6 5,-2.6 4,-0.2 -1,-0.2 0.954 118.1 44.4 -66.8 -49.6 27.8 29.1 16.4 87 89 A D H <5S+ 0 0 63 -4,-1.8 131,-2.7 -5,-0.2 -2,-0.2 0.842 125.2 30.9 -64.0 -36.7 28.8 27.4 19.6 88 90 A R H <5S- 0 0 50 -4,-2.7 132,-0.7 129,-0.2 -1,-0.2 0.609 139.5 -1.6-104.9 -14.3 32.3 28.9 19.9 89 91 A V T <5S+ 0 0 58 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.555 127.1 36.3-144.9 -35.9 32.1 32.3 18.3 90 92 A F T < - 0 0 0 -5,-2.6 4,-2.4 -6,-0.3 5,-0.2 -0.013 34.2 -88.7 95.1 147.4 25.8 32.0 19.0 92 94 A T H > S+ 0 0 10 123,-0.4 4,-1.8 1,-0.2 5,-0.2 0.853 124.3 51.8 -63.8 -37.0 22.9 30.1 17.5 93 95 A S H > S+ 0 0 7 120,-1.7 4,-1.5 122,-0.2 -1,-0.2 0.932 114.6 41.1 -64.1 -47.0 20.8 33.2 16.8 94 96 A R H > S+ 0 0 88 119,-0.8 4,-2.4 -4,-0.3 -2,-0.2 0.883 113.9 51.8 -71.5 -39.8 23.5 35.1 15.0 95 97 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.861 108.1 52.3 -66.4 -36.9 24.8 32.1 13.0 96 98 A V H X S+ 0 0 2 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.898 109.6 51.3 -61.5 -41.0 21.3 31.4 11.8 97 99 A F H X S+ 0 0 51 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.931 111.2 45.4 -62.1 -49.7 21.1 35.0 10.7 98 100 A Y H X S+ 0 0 96 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.912 111.4 52.4 -61.9 -45.6 24.3 34.9 8.7 99 101 A G H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.874 105.7 55.9 -58.4 -38.7 23.5 31.6 7.1 100 102 A G H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.853 108.2 47.7 -62.4 -36.8 20.1 33.0 6.0 101 103 A L H X S+ 0 0 75 -4,-1.4 4,-2.1 -3,-0.3 -2,-0.2 0.912 114.3 45.6 -70.1 -44.5 21.9 35.8 4.2 102 104 A L H X S+ 0 0 55 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.937 112.4 50.3 -64.0 -49.3 24.4 33.5 2.5 103 105 A I H X S+ 0 0 3 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.913 112.1 47.6 -54.8 -47.3 21.7 31.0 1.4 104 106 A M H X S+ 0 0 36 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.898 109.9 52.5 -63.3 -41.5 19.6 33.7 -0.1 105 107 A A H X S+ 0 0 40 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.817 106.3 55.8 -63.3 -31.0 22.6 35.2 -1.9 106 108 A G H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.888 107.6 47.0 -67.2 -40.5 23.2 31.7 -3.3 107 109 A H H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 84,-0.2 0.823 106.8 57.6 -71.4 -32.7 19.7 31.5 -4.8 108 110 A I H X S+ 0 0 76 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.881 102.5 55.3 -64.6 -38.3 20.0 35.0 -6.3 109 111 A A H < S+ 0 0 17 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 113.2 41.9 -59.9 -40.4 23.1 33.9 -8.2 110 112 A L H < S+ 0 0 2 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.876 111.8 54.4 -73.2 -39.8 21.0 31.1 -9.7 111 113 A A H < S+ 0 0 25 -4,-2.5 -2,-0.2 76,-0.3 -1,-0.2 0.809 98.2 72.0 -69.5 -33.0 17.9 33.1 -10.3 112 114 A I S < S- 0 0 89 -4,-1.9 2,-0.1 -5,-0.1 6,-0.0 -0.492 107.7 -76.3 -81.4 154.3 19.6 35.8 -12.4 113 115 A P S S+ 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.309 79.6 125.8 -52.7 119.9 20.9 35.1 -15.9 114 116 A G - 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0 0 39 -7,-2.1 -7,-0.0 -2,-0.7 3,-0.0 -0.492 9.7-126.5 -80.3 147.5 3.6 14.9 -15.3 326 334 A S > - 0 0 12 -2,-0.2 3,-1.0 1,-0.1 4,-0.3 -0.801 13.7-138.0 -90.8 136.5 6.7 16.8 -14.4 327 335 A P G > S+ 0 0 7 0, 0.0 3,-1.6 0, 0.0 4,-0.1 0.826 99.7 62.5 -64.6 -34.2 9.6 14.6 -13.3 328 336 A A G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.749 87.4 73.7 -64.0 -24.8 10.6 16.9 -10.4 329 337 A W G X S+ 0 0 78 -3,-1.0 3,-1.8 1,-0.3 -1,-0.3 0.736 79.5 74.0 -61.4 -23.7 7.2 16.1 -8.8 330 338 A F G X S+ 0 0 12 -3,-1.6 3,-0.8 -4,-0.3 4,-0.3 0.626 82.2 70.2 -66.1 -13.4 8.5 12.6 -7.9 331 339 A Q G < S+ 0 0 23 -3,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.680 86.6 65.9 -75.9 -18.4 10.6 14.3 -5.2 332 340 A S G <> S+ 0 0 5 -3,-1.8 4,-1.5 -4,-0.2 -1,-0.2 0.617 84.2 78.0 -76.2 -12.7 7.5 15.0 -3.3 333 341 A L H <> S+ 0 0 28 -3,-0.8 4,-1.9 -4,-0.2 -1,-0.2 0.872 86.2 54.9 -69.3 -41.2 6.9 11.2 -2.8 334 342 A N H > S+ 0 0 33 -3,-0.4 4,-1.6 -4,-0.3 -1,-0.2 0.952 113.2 37.9 -59.4 -54.5 9.5 10.6 -0.0 335 343 A P H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.838 112.6 60.0 -70.6 -28.7 8.2 13.2 2.5 336 344 A L H X S+ 0 0 51 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.917 108.0 43.6 -61.1 -45.4 4.6 12.5 1.6 337 345 A F H X S+ 0 0 29 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.821 112.2 54.4 -70.1 -32.3 5.0 8.8 2.7 338 346 A I H X S+ 0 0 16 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.948 108.0 48.9 -64.0 -49.7 6.9 9.9 5.8 339 347 A I H < S+ 0 0 68 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 119.7 39.4 -54.1 -43.8 4.1 12.2 6.8 340 348 A I H < S+ 0 0 92 -4,-1.8 4,-0.5 -5,-0.2 -2,-0.2 0.951 121.4 37.2 -73.6 -52.5 1.5 9.4 6.3 341 349 A L H X S+ 0 0 25 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.652 95.2 82.0 -83.9 -17.8 3.3 6.3 7.6 342 350 A A H X S+ 0 0 37 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.894 96.6 42.0 -56.6 -46.1 5.1 7.8 10.6 343 351 A P H > S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.804 113.6 55.1 -72.0 -24.9 2.1 7.6 13.0 344 352 A V H > S+ 0 0 69 -4,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.904 111.9 42.2 -70.4 -42.4 1.3 4.2 11.6 345 353 A F H X S+ 0 0 18 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.906 112.4 55.0 -66.7 -43.1 4.8 3.0 12.4 346 354 A A H X S+ 0 0 53 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.897 109.0 47.2 -57.3 -43.9 4.7 4.8 15.8 347 355 A W H X S+ 0 0 178 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.835 109.6 56.3 -65.6 -32.9 1.5 3.0 16.7 348 356 A M H X S+ 0 0 69 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.927 103.6 50.3 -66.6 -47.4 3.1 -0.3 15.5 349 357 A W H X S+ 0 0 42 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.806 113.4 47.2 -63.9 -30.3 6.1 -0.1 17.8 350 358 A V H < S+ 0 0 116 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.875 110.3 51.9 -76.1 -39.9 3.8 0.5 20.8 351 359 A K H < S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.862 112.7 46.9 -62.0 -36.8 1.5 -2.3 19.8 352 360 A L H >< S+ 0 0 69 -4,-2.4 3,-1.7 1,-0.2 2,-0.6 0.933 81.7 163.3 -70.5 -48.3 4.5 -4.6 19.6 353 361 A G G >< S+ 0 0 36 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 -0.526 73.2 0.5 70.6-110.7 5.9 -3.4 23.0 354 362 A K G 3 S+ 0 0 106 -2,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.722 129.7 63.8 -83.8 -23.4 8.5 -6.0 24.2 355 363 A R G < S+ 0 0 86 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.414 79.8 115.9 -81.2 2.2 8.1 -8.2 21.1 356 364 A Q S < S- 0 0 72 -3,-0.5 -7,-0.0 -7,-0.2 -6,-0.0 -0.400 76.7 -97.7 -72.1 148.5 9.4 -5.3 18.9 357 365 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.308 42.4-109.5 -62.6 149.4 12.7 -5.8 17.1 358 366 A T > - 0 0 61 -3,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.163 32.8 -97.0 -72.7 172.2 15.8 -4.4 18.6 359 367 A I H > S+ 0 0 28 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.914 125.7 47.0 -58.5 -47.3 17.7 -1.4 17.3 360 368 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.887 111.4 53.8 -62.2 -34.7 20.3 -3.5 15.4 361 369 A Q H > S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.840 105.9 52.3 -65.9 -34.6 17.4 -5.5 14.0 362 370 A K H X S+ 0 0 14 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.756 102.8 58.9 -74.4 -25.6 15.7 -2.4 12.8 363 371 A F H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.892 106.6 47.9 -66.5 -40.1 18.9 -1.3 11.0 364 372 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.853 105.8 58.1 -68.5 -36.3 18.7 -4.5 9.0 365 373 A L H X S+ 0 0 48 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.890 106.7 48.1 -61.0 -41.3 15.0 -4.0 8.2 366 374 A G H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.868 111.0 51.8 -63.3 -37.1 16.0 -0.7 6.6 367 375 A L H X S+ 0 0 1 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.855 108.6 50.6 -69.8 -35.9 18.7 -2.5 4.7 368 376 A L H X S+ 0 0 54 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.921 113.9 43.2 -66.7 -45.7 16.2 -5.1 3.4 369 377 A F H X S+ 0 0 60 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.838 111.6 55.8 -70.7 -33.6 13.7 -2.5 2.2 370 378 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.969 112.8 39.6 -61.8 -55.2 16.5 -0.4 0.6 371 379 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.801 114.5 55.6 -64.0 -30.4 17.9 -3.2 -1.5 372 380 A L H X S+ 0 0 69 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.859 100.0 58.8 -71.1 -36.3 14.3 -4.4 -2.2 373 381 A S H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.850 108.4 46.1 -61.6 -35.6 13.4 -1.0 -3.6 374 382 A F H X S+ 0 0 1 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.835 107.8 56.9 -74.7 -34.5 16.1 -1.3 -6.2 375 383 A I H X S+ 0 0 56 -4,-1.5 4,-0.8 1,-0.2 3,-0.4 0.936 111.7 42.6 -60.2 -47.4 15.1 -4.9 -7.0 376 384 A V H >< S+ 0 0 23 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.918 110.0 57.5 -61.9 -45.1 11.6 -3.6 -7.8 377 385 A I H 3< S+ 0 0 0 -4,-1.8 4,-0.4 1,-0.3 -1,-0.2 0.734 107.3 47.5 -64.4 -23.4 12.9 -0.6 -9.7 378 386 A L H 3X S+ 0 0 26 -4,-1.3 4,-0.8 -3,-0.4 -1,-0.3 0.687 97.4 75.7 -90.0 -19.5 15.0 -2.8 -12.1 379 387 A V H XX S+ 0 0 43 -4,-0.8 4,-2.6 -3,-0.8 3,-0.8 0.925 90.8 47.1 -59.4 -53.9 12.1 -5.2 -12.8 380 388 A P H 3> S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.841 112.7 49.9 -66.9 -31.0 9.8 -3.2 -15.2 381 389 A G H 34 S+ 0 0 18 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.687 113.7 48.5 -74.5 -19.1 12.7 -2.1 -17.4 382 390 A H H << S+ 0 0 126 -3,-0.8 -1,-0.2 -4,-0.8 -3,-0.1 0.846 111.4 47.3 -86.3 -39.7 13.8 -5.7 -17.5 383 391 A L H < S+ 0 0 127 -4,-2.6 -2,-0.2 -5,-0.1 2,-0.1 0.933 102.6 70.7 -68.0 -48.3 10.4 -7.2 -18.4 384 392 A S S < S- 0 0 42 -4,-2.0 3,-0.1 -5,-0.2 5,-0.0 -0.399 83.4-130.2 -71.1 147.7 9.6 -4.7 -21.2 385 393 A G S S- 0 0 95 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.797 74.9 -59.1 -66.0 -28.7 11.6 -4.9 -24.4 386 394 A G S S+ 0 0 53 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.955 89.2 76.5 167.0 180.0 12.3 -1.2 -24.2 387 395 A G S S- 0 0 50 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.497 83.8 -16.2 91.8-161.3 10.8 2.3 -23.9 388 396 A L - 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