==== 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 4IKV . COMPND 2 MOLECULE: DI-TRIPEPTIDE ABC TRANSPORTER (PERMEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR S.DOKI,H.E.KATO,R.ISHITANI,O.NUREKI . 492 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 83.1 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 . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 0 1 0 1 2 0 0 0 0 0 0 0 0 1 1 1 2 0 0 0 0 3 1 1 1 3 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 2 A A 0 0 85 0, 0.0 216,-0.1 0, 0.0 218,-0.1 0.000 360.0 360.0 360.0 -19.5 27.1 35.3 28.5 2 3 A S - 0 0 78 216,-0.4 2,-0.4 214,-0.1 215,-0.1 -0.403 360.0-143.5 -60.7 146.5 25.1 32.1 29.0 3 4 A I - 0 0 48 -2,-0.1 5,-0.1 213,-0.1 213,-0.0 -0.924 22.6 -94.2-121.8 143.6 21.7 32.9 30.7 4 5 A D > - 0 0 104 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.292 34.9-134.6 -49.3 130.5 19.7 31.0 33.3 5 6 A K H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.841 103.5 52.4 -64.9 -35.4 17.2 28.9 31.4 6 7 A Q H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 109.7 50.1 -67.1 -40.4 14.2 29.8 33.6 7 8 A Q H 4 S+ 0 0 119 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.893 110.5 50.3 -61.6 -41.8 15.1 33.5 33.2 8 9 A I H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 204,-0.5 0.960 111.5 47.2 -59.8 -51.5 15.2 33.0 29.4 9 10 A A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.847 103.0 63.7 -60.7 -34.0 11.8 31.2 29.4 10 11 A A T 3< S+ 0 0 77 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.641 99.5 55.3 -64.1 -15.2 10.3 34.0 31.6 11 12 A S T < S+ 0 0 40 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.445 94.5 84.1 -94.3 -5.2 11.0 36.5 28.8 12 13 A V S < S- 0 0 4 -3,-1.8 198,-0.1 -4,-0.3 197,-0.1 -0.893 88.1-117.5-105.6 123.0 9.0 34.4 26.3 13 14 A P - 0 0 47 0, 0.0 10,-0.5 0, 0.0 9,-0.5 -0.385 27.3-146.6 -57.0 132.9 5.2 34.7 26.2 14 15 A Q + 0 0 50 7,-0.2 2,-0.3 8,-0.1 195,-0.0 0.463 66.7 32.3 -95.0 -3.2 4.0 31.3 27.2 15 16 A R + 0 0 194 1,-0.1 7,-1.2 6,-0.0 8,-0.1 -0.810 62.6 96.5-138.3 178.0 0.8 30.8 25.1 16 17 A G E S+A 21 0A 52 -2,-0.3 2,-0.3 5,-0.2 -1,-0.1 0.289 73.2 71.8 122.3 -10.5 -0.6 31.8 21.8 17 18 A F E > S-A 20 0A 30 3,-2.3 3,-1.5 8,-0.0 7,-0.0 -0.711 122.3 -47.2-140.7 89.0 0.1 28.9 19.4 18 19 A F T 3 S- 0 0 177 -2,-0.3 -3,-0.0 1,-0.3 4,-0.0 0.830 118.5 -44.8 56.4 36.1 -2.0 25.8 19.9 19 20 A G T 3 S+ 0 0 43 1,-0.4 -1,-0.3 0, 0.0 3,-0.1 0.402 125.2 99.9 91.3 -1.9 -1.3 25.8 23.7 20 21 A H E < S-A 17 0A 14 -3,-1.5 -3,-2.3 1,-0.2 -1,-0.4 -0.636 87.3 -70.4-108.3 166.8 2.4 26.5 23.1 21 22 A P E >> -A 16 0A 0 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.245 42.0-120.0 -53.8 146.3 4.4 29.8 23.3 22 23 A K H >> S+ 0 0 72 -7,-1.2 4,-1.4 -9,-0.5 3,-0.9 0.771 111.4 71.7 -60.1 -26.5 3.7 32.2 20.4 23 24 A G H 3> S+ 0 0 0 186,-0.6 4,-2.9 -10,-0.5 -1,-0.3 0.729 85.1 65.6 -61.2 -23.9 7.4 31.9 19.5 24 25 A L H <> S+ 0 0 0 -3,-1.9 4,-3.0 2,-0.2 -1,-0.3 0.877 99.4 52.6 -66.6 -34.8 6.6 28.4 18.3 25 26 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 3,-1.2 0.955 113.5 49.2 -59.3 -52.7 14.7 24.5 -5.2 42 43 A R H 3X S+ 0 0 18 -4,-2.7 4,-0.8 1,-0.3 -1,-0.2 0.833 101.4 64.5 -55.9 -37.7 16.0 20.9 -5.0 43 44 A A H 3< S+ 0 0 1 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.757 119.3 22.3 -63.2 -25.9 13.0 19.5 -6.8 44 45 A I H S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.901 110.1 57.2 -67.4 -40.4 16.6 19.3 -14.3 48 49 A Y H < S+ 0 0 3 -4,-2.7 10,-3.0 1,-0.2 11,-0.4 0.883 107.4 50.7 -56.8 -37.3 17.7 23.0 -14.5 49 50 A M H < S+ 0 0 0 -4,-2.0 11,-2.8 8,-0.2 -2,-0.2 0.948 122.1 26.8 -69.3 -47.0 21.3 21.8 -14.6 50 51 A Y H < S+ 0 0 22 -4,-1.8 -2,-0.2 9,-0.2 -1,-0.2 0.670 91.9 107.6 -97.7 -13.3 21.0 19.2 -17.4 51 52 A Y S < S- 0 0 47 -4,-3.0 8,-1.7 -5,-0.2 9,-0.2 -0.282 83.3 -89.0 -58.8 147.7 18.0 20.5 -19.4 52 53 A E > > - 0 0 114 6,-0.1 5,-2.3 1,-0.1 3,-1.9 -0.210 30.3-119.4 -56.5 146.7 18.9 22.0 -22.8 53 54 A V G > 5S+ 0 0 109 1,-0.3 3,-1.8 3,-0.2 -1,-0.1 0.884 117.2 56.5 -54.3 -39.1 19.8 25.7 -22.9 54 55 A S G 3 5S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.579 104.0 55.0 -72.1 -8.9 16.9 26.2 -25.3 55 56 A K G < 5S- 0 0 130 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.168 128.6 -96.4-106.0 12.7 14.6 24.6 -22.7 56 57 A G T < 5S+ 0 0 35 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.417 88.3 120.1 88.5 -1.3 15.7 27.1 -20.0 57 58 A G S - 0 0 94 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.401 35.9-118.2 -66.8 149.5 25.9 16.7 -18.9 62 63 A E H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.881 112.5 53.5 -60.4 -39.1 23.5 14.5 -16.9 63 64 A H H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 109.7 46.2 -63.9 -47.2 26.3 12.9 -14.9 64 65 A L H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 113.8 49.4 -59.2 -44.6 27.8 16.2 -13.8 65 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.940 112.2 48.2 -60.7 -46.7 24.4 17.5 -12.8 66 67 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.869 111.3 49.9 -62.8 -38.6 23.7 14.4 -10.8 67 68 A A H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.909 110.9 49.6 -67.5 -42.2 27.1 14.5 -9.1 68 69 A I H X S+ 0 0 13 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.932 111.5 48.2 -60.8 -48.5 26.5 18.1 -8.1 69 70 A M H X S+ 0 0 1 -4,-2.5 4,-0.6 1,-0.2 3,-0.4 0.890 109.8 56.8 -54.6 -42.5 23.0 17.4 -6.7 70 71 A S H X S+ 0 0 4 -4,-2.0 4,-0.5 1,-0.2 3,-0.5 0.930 107.8 42.5 -59.8 -48.8 24.6 14.5 -4.9 71 72 A I H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.655 91.5 89.0 -76.1 -13.9 27.3 16.4 -3.0 72 73 A Y H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.4 -1,-0.2 0.910 90.5 43.1 -50.4 -52.5 24.9 19.3 -2.1 73 74 A G H X S+ 0 0 10 -4,-0.6 4,-1.9 -3,-0.5 -1,-0.2 0.827 110.5 56.1 -68.5 -31.1 23.6 17.7 1.2 74 75 A A H X S+ 0 0 1 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.899 108.0 49.1 -64.2 -39.4 27.1 16.6 2.2 75 76 A L H X S+ 0 0 24 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 107.6 54.0 -65.1 -42.1 28.3 20.2 1.9 76 77 A V H X S+ 0 0 7 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.897 106.9 53.1 -58.7 -40.2 25.3 21.4 4.0 77 78 A Y H X S+ 0 0 48 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.931 110.1 45.2 -58.8 -51.5 26.4 18.9 6.7 78 79 A M H X S+ 0 0 66 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.884 113.4 51.4 -60.1 -41.0 30.0 20.3 6.8 79 80 A S H X S+ 0 0 16 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.875 105.4 55.9 -63.7 -38.5 28.7 23.8 6.8 80 81 A G H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.789 100.9 57.8 -67.4 -30.2 26.4 23.0 9.7 81 82 A I H X S+ 0 0 70 -4,-1.3 4,-1.6 -3,-0.2 -1,-0.2 0.950 112.8 40.3 -61.6 -48.3 29.3 21.8 11.8 82 83 A I H X S+ 0 0 102 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.901 114.4 53.4 -66.0 -42.9 30.9 25.2 11.4 83 84 A G H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.835 106.1 52.0 -63.4 -37.6 27.5 27.0 11.8 84 85 A G H X S+ 0 0 25 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.905 112.3 46.6 -63.3 -43.5 26.8 25.2 15.1 85 86 A W H X S+ 0 0 111 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.894 110.6 52.9 -62.6 -44.0 30.2 26.3 16.4 86 87 A L H X>S+ 0 0 46 -4,-2.5 5,-2.7 2,-0.2 4,-2.0 0.888 112.2 44.4 -60.6 -41.6 29.7 29.9 15.2 87 88 A A H <>S+ 0 0 0 -4,-2.0 5,-2.2 3,-0.2 132,-0.2 0.950 115.6 48.3 -67.0 -47.0 26.3 30.2 17.0 88 89 A D H <5S+ 0 0 64 -4,-2.3 131,-2.3 1,-0.2 -2,-0.2 0.851 128.1 21.1 -62.6 -36.1 27.7 28.6 20.1 89 90 A R H <5S+ 0 0 46 -4,-2.5 132,-0.8 129,-0.1 -1,-0.2 0.564 136.4 13.9-114.7 -10.0 30.8 30.7 20.4 90 91 A V T <5S+ 0 0 61 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.679 125.9 20.4-132.3 -53.9 30.3 33.9 18.3 91 92 A F T < - 0 0 0 -5,-2.2 4,-1.5 -6,-0.5 125,-0.2 -0.070 39.8 -81.3 78.0 164.6 24.2 33.0 19.4 93 94 A T H > S+ 0 0 13 123,-0.4 4,-2.3 2,-0.2 5,-0.2 0.834 123.8 56.6 -77.4 -34.3 21.5 31.0 17.7 94 95 A S H > S+ 0 0 3 120,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.927 111.8 43.1 -65.2 -45.4 19.0 33.9 16.9 95 96 A R H > S+ 0 0 42 119,-0.6 4,-2.7 -4,-0.4 5,-0.3 0.861 111.1 56.2 -66.8 -35.9 21.6 35.9 15.0 96 97 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.923 108.4 48.0 -60.4 -41.5 22.8 32.7 13.3 97 98 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.907 113.0 48.4 -65.6 -41.0 19.3 32.1 12.0 98 99 A F H X S+ 0 0 48 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.963 116.4 40.0 -62.6 -56.8 18.9 35.7 10.8 99 100 A Y H X S+ 0 0 105 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.906 116.0 52.7 -61.7 -43.1 22.2 35.8 8.9 100 101 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.925 107.9 50.4 -55.6 -48.3 21.7 32.3 7.6 101 102 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.866 108.2 53.7 -59.8 -38.5 18.3 33.2 6.3 102 103 A L H X S+ 0 0 68 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.909 110.7 45.4 -61.1 -45.6 19.7 36.2 4.5 103 104 A L H X S+ 0 0 53 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.883 112.5 51.2 -65.5 -41.2 22.4 34.1 2.7 104 105 A I H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.932 110.0 49.5 -62.9 -46.5 19.8 31.5 1.8 105 106 A M H X S+ 0 0 36 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.911 110.1 51.0 -59.2 -44.1 17.5 34.1 0.4 106 107 A A H X S+ 0 0 34 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.878 107.0 55.5 -59.4 -39.5 20.4 35.6 -1.6 107 108 A G H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.885 108.6 46.1 -60.9 -42.3 21.2 32.1 -2.9 108 109 A H H >X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 3,-0.9 0.887 109.8 54.6 -69.1 -38.6 17.7 31.6 -4.3 109 110 A I H 3X S+ 0 0 75 -4,-2.2 4,-1.8 1,-0.3 3,-0.3 0.899 99.5 62.5 -59.9 -39.9 17.7 35.1 -5.8 110 111 A A H 3< S+ 0 0 14 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.754 110.1 39.5 -58.7 -27.1 20.9 34.2 -7.7 111 112 A L H << S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.671 109.3 60.8 -92.8 -23.4 18.9 31.4 -9.5 112 113 A A H < S+ 0 0 26 -4,-1.4 -2,-0.2 -3,-0.3 77,-0.2 0.787 94.5 73.1 -75.7 -28.4 15.8 33.5 -10.0 113 114 A I S < S- 0 0 84 -4,-1.8 2,-0.1 -5,-0.1 6,-0.0 -0.527 105.1 -85.5 -84.0 153.9 17.6 36.1 -12.0 114 115 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.412 79.8 113.4 -56.7 130.5 18.7 35.4 -15.6 115 116 A G - 0 0 46 -4,-0.1 2,-0.1 -2,-0.1 -4,-0.0 -0.957 45.8-137.1-179.2-173.0 22.1 33.7 -15.5 116 117 A G > - 0 0 32 -2,-0.3 4,-1.2 -58,-0.0 3,-0.1 -0.217 59.9 -28.0-139.1-133.6 24.0 30.5 -16.1 117 118 A V H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.853 126.7 55.1 -69.8 -36.8 26.6 28.2 -14.6 118 119 A A H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 107.0 52.9 -61.0 -37.2 28.5 30.8 -12.6 119 120 A A H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.840 104.5 55.8 -68.5 -32.0 25.2 31.7 -10.9 120 121 A L H X S+ 0 0 7 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.947 108.1 48.0 -62.9 -49.8 24.7 28.1 -10.0 121 122 A F H X S+ 0 0 154 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.933 114.0 46.3 -53.2 -51.4 28.0 28.1 -8.2 122 123 A V H X S+ 0 0 77 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.916 111.6 51.8 -61.5 -44.1 27.2 31.3 -6.4 123 124 A S H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.926 111.2 46.6 -58.1 -48.8 23.8 30.1 -5.4 124 125 A M H X S+ 0 0 20 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.902 111.2 52.4 -61.3 -43.9 25.1 26.8 -4.0 125 126 A A H X S+ 0 0 42 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.951 113.6 43.1 -55.8 -50.2 27.9 28.7 -2.1 126 127 A L H X S+ 0 0 43 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.910 116.6 46.1 -65.8 -43.8 25.3 31.1 -0.5 127 128 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.898 112.8 50.4 -67.4 -38.9 22.8 28.3 0.3 128 129 A V H X S+ 0 0 19 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.970 116.3 41.4 -61.6 -50.6 25.5 26.0 1.8 129 130 A L H X S+ 0 0 97 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.929 119.1 45.2 -58.9 -50.6 26.8 28.8 4.0 130 131 A G H >X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 3,-0.6 0.899 111.9 49.6 -63.2 -46.4 23.4 30.1 5.0 131 132 A T H 3X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.867 105.8 59.2 -64.4 -36.1 21.8 26.7 5.7 132 133 A G H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.803 111.3 41.1 -58.6 -32.0 24.8 25.8 7.8 133 134 A L H << S+ 0 0 19 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.823 124.8 34.2 -85.3 -34.5 24.1 28.8 10.1 134 135 A L H >X S+ 0 0 0 -4,-2.0 4,-2.0 -37,-0.1 3,-1.3 0.927 109.9 58.3 -86.8 -50.4 20.3 28.4 10.2 135 136 A K T 3< S+ 0 0 86 -4,-2.5 4,-0.5 1,-0.3 -3,-0.2 0.871 109.1 37.0 -59.5 -49.8 19.6 24.7 10.1 136 137 A P T 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0.889 111.3 46.0 -64.8 -39.0 14.7 12.2 -10.1 317 318 A N H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.919 110.9 53.1 -67.4 -40.7 16.5 11.6 -13.3 318 319 A Y H X>S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.6 0.899 106.1 53.4 -59.9 -42.4 14.6 8.3 -13.7 319 320 A A H <5S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.892 116.5 39.2 -57.1 -40.2 11.3 10.2 -13.3 320 321 A D H <5S+ 0 0 24 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.811 129.1 25.0 -83.0 -33.3 12.3 12.6 -16.1 321 322 A K H <5S+ 0 0 108 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.644 129.2 30.6-110.2 -19.4 14.0 10.3 -18.6 322 323 A R T <5S+ 0 0 37 -4,-2.2 74,-2.6 -5,-0.3 2,-0.4 0.413 98.2 84.8-124.4 -3.5 12.6 6.8 -18.0 323 324 A T B - 0 0 1 -2,-0.1 3,-1.5 1,-0.1 4,-0.3 -0.832 12.2-137.8 -87.9 132.3 5.8 16.9 -13.7 334 335 A P G > S+ 0 0 5 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.789 101.9 67.5 -62.0 -23.5 8.8 14.7 -12.8 335 336 A A G > S+ 0 0 0 1,-0.2 3,-1.8 -159,-0.2 4,-0.2 0.806 85.1 72.5 -62.3 -28.5 9.6 17.1 -9.9 336 337 A W G X S+ 0 0 64 -3,-1.5 3,-2.2 1,-0.3 4,-0.3 0.744 78.2 73.9 -61.7 -23.0 6.4 16.0 -8.2 337 338 A F G X> S+ 0 0 13 -3,-1.3 3,-1.5 -4,-0.3 4,-0.5 0.747 81.6 72.2 -65.9 -19.2 8.0 12.6 -7.3 338 339 A Q G <4 S+ 0 0 37 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.623 88.3 63.2 -68.1 -14.5 10.0 14.5 -4.7 339 340 A S G <> S+ 0 0 5 -3,-2.2 4,-2.1 -4,-0.2 -1,-0.3 0.604 85.4 76.7 -81.5 -13.1 6.7 14.8 -2.7 340 341 A L H <> S+ 0 0 25 -3,-1.5 4,-2.9 -4,-0.3 5,-0.3 0.936 87.9 53.9 -68.8 -47.5 6.4 11.1 -2.2 341 342 A N H X S+ 0 0 28 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.956 115.3 38.6 -51.8 -55.8 9.0 10.6 0.5 342 343 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.896 114.7 54.6 -66.7 -37.3 7.4 13.2 2.9 343 344 A L H X S+ 0 0 54 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.953 111.4 44.3 -54.0 -51.4 3.8 12.2 2.0 344 345 A F H X S+ 0 0 27 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.838 112.3 52.7 -68.0 -30.9 4.5 8.6 2.9 345 346 A I H X S+ 0 0 19 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.947 110.1 48.0 -68.2 -45.8 6.3 9.5 6.0 346 347 A I H < S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.920 118.6 40.7 -58.0 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17.8 357 358 A V H < S+ 0 0 105 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.938 111.8 46.6 -60.7 -46.3 3.7 -0.3 20.8 358 359 A K H < S+ 0 0 120 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.837 111.4 50.9 -68.8 -32.2 1.6 -3.3 19.9 359 360 A L H >< S+ 0 0 54 -4,-2.3 3,-2.3 -5,-0.2 -1,-0.2 0.851 82.9 161.7 -70.9 -34.6 4.6 -5.6 19.4 360 361 A G G >< + 0 0 29 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 -0.258 69.7 5.4 54.1-124.5 6.0 -4.5 22.8 361 362 A K G 3 S+ 0 0 213 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.627 130.4 61.7 -64.9 -15.4 8.6 -6.9 24.0 362 363 A R G < S+ 0 0 185 -3,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 0.487 79.3 114.5 -87.5 -5.6 8.4 -8.8 20.7 363 364 A Q S < S- 0 0 74 -3,-1.9 -7,-0.0 -7,-0.2 -6,-0.0 -0.236 78.2 -92.5 -69.4 154.7 9.6 -5.8 18.7 364 365 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.318 42.9-115.3 -60.8 149.2 12.9 -5.9 16.8 365 366 A T > - 0 0 64 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.186 36.4 -92.1 -71.9 176.6 15.9 -4.5 18.7 366 367 A I H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.948 127.3 46.3 -59.9 -50.6 17.7 -1.4 17.5 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