==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 04-NOV-11 3UIF . COMPND 2 MOLECULE: SULFONATE ABC TRANSPORTER, PERIPLASMIC SULFONATE- . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACILLUS FLAGELLATUS; . AUTHOR V.N.MALASHKEVICH,J.B.BONANNO,R.BHOSLE,R.TORO,R.SEIDEL,S.C.AL . 330 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.8 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 . 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 . 28 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.6 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 1 0 3 3 0 2 2 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 0 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 24 A V 0 0 194 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.5 -5.8 45.9 -27.9 2 25 A E - 0 0 148 1,-0.0 2,-1.0 0, 0.0 0, 0.0 -0.549 360.0-119.0 -98.7 160.9 -6.1 42.1 -27.1 3 26 A D - 0 0 159 -2,-0.2 2,-0.2 2,-0.0 -1,-0.0 -0.659 48.0-179.6 -97.2 78.2 -9.1 39.8 -26.3 4 27 A L - 0 0 48 -2,-1.0 2,-0.6 39,-0.1 39,-0.2 -0.459 29.5-129.9 -87.2 148.3 -7.9 38.6 -22.8 5 28 A K E -a 43 0A 118 37,-2.6 39,-3.3 -2,-0.2 2,-0.5 -0.856 25.7-136.1 -88.9 120.4 -9.6 36.2 -20.4 6 29 A V E -a 44 0A 65 -2,-0.6 2,-0.5 37,-0.2 39,-0.2 -0.675 22.3-174.1 -79.9 122.1 -9.7 37.8 -16.9 7 30 A V E -a 45 0A 1 37,-3.0 39,-2.9 -2,-0.5 2,-0.5 -0.979 15.0-145.0-118.9 118.5 -8.7 35.3 -14.2 8 31 A R E -a 46 0A 67 -2,-0.5 62,-2.2 37,-0.2 61,-1.8 -0.746 18.8-175.2 -86.9 124.6 -9.0 36.5 -10.7 9 32 A I E -ab 47 70A 1 37,-3.2 39,-2.6 -2,-0.5 62,-0.3 -0.980 8.5-153.6-126.5 122.1 -6.4 35.2 -8.3 10 33 A A E +ab 48 71A 0 60,-2.7 62,-3.4 -2,-0.4 2,-0.3 -0.632 15.9 171.2 -91.6 148.8 -6.3 35.8 -4.5 11 34 A S E -ab 49 72A 0 37,-1.5 39,-2.1 -2,-0.3 2,-0.5 -0.975 39.7-104.1-144.4 161.0 -3.3 35.8 -2.2 12 35 A V E -a 50 0A 18 60,-0.8 11,-1.4 -2,-0.3 2,-0.3 -0.769 48.6-171.8 -83.3 129.5 -2.7 36.8 1.4 13 36 A A E -F 22 0B 11 37,-3.2 39,-0.5 -2,-0.5 2,-0.3 -0.929 18.0-175.7-132.2 149.3 -1.0 40.2 1.4 14 37 A T E -F 21 0B 43 7,-2.5 7,-3.8 -2,-0.3 2,-0.6 -0.984 21.4-136.0-145.2 128.0 0.7 42.5 3.9 15 38 A N E +F 20 0B 127 -2,-0.3 2,-0.5 5,-0.3 5,-0.2 -0.793 27.0 176.1 -85.5 119.9 2.2 46.0 3.6 16 39 A V E > -F 19 0B 44 3,-1.4 3,-1.5 -2,-0.6 -2,-0.0 -0.971 67.5 -25.8-125.5 114.2 5.6 46.3 5.4 17 40 A G T 3 S- 0 0 82 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.927 128.6 -41.2 46.6 58.4 7.6 49.6 5.1 18 41 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.304 124.0 90.9 80.2 -8.2 6.1 50.7 1.8 19 42 A K E < S-F 16 0B 131 -3,-1.5 -3,-1.4 228,-0.0 2,-0.5 -0.575 71.6-120.4-112.1 175.3 6.2 47.2 0.2 20 43 A T E -F 15 0B 52 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.3 -0.968 18.3-158.0-123.1 117.7 3.7 44.3 -0.1 21 44 A V E -F 14 0B 9 -7,-3.8 -7,-2.5 -2,-0.5 2,-0.4 -0.743 6.1-163.2 -87.5 139.9 4.6 40.8 1.2 22 45 A Y E -F 13 0B 34 -2,-0.4 2,-2.4 -9,-0.2 5,-0.4 -0.968 43.6 -86.2-120.8 141.9 2.7 37.8 -0.2 23 46 A A > - 0 0 38 -11,-1.4 2,-2.2 -2,-0.4 3,-0.6 -0.167 69.1 -88.5 -55.1 74.2 2.7 34.4 1.6 24 47 A G T 3> S+ 0 0 15 -2,-2.4 4,-1.1 1,-0.3 -1,-0.1 -0.315 124.1 49.0 66.4 -75.2 6.0 33.1 0.1 25 48 A S H 3> S+ 0 0 5 -2,-2.2 4,-1.2 1,-0.2 -1,-0.3 0.908 109.1 52.0 -64.2 -44.9 4.7 31.4 -3.0 26 49 A A H <> S+ 0 0 0 -3,-0.6 4,-3.7 1,-0.2 5,-0.4 0.880 100.5 59.8 -62.2 -42.9 2.6 34.3 -4.2 27 50 A S H > S+ 0 0 6 -5,-0.4 4,-2.6 1,-0.3 -1,-0.2 0.919 108.2 46.8 -54.6 -44.7 5.4 37.0 -4.1 28 51 A L H X S+ 0 0 4 -4,-1.1 4,-0.7 216,-0.2 6,-0.3 0.826 117.1 43.2 -61.3 -36.5 7.4 34.9 -6.6 29 52 A V H < S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.3 5,-0.2 0.860 116.4 45.2 -86.2 -35.4 4.4 34.5 -8.8 30 53 A V H < S+ 0 0 20 -4,-3.7 -2,-0.2 1,-0.2 -3,-0.2 0.857 124.4 36.0 -69.2 -39.2 3.1 38.1 -8.6 31 54 A N H < S+ 0 0 92 -4,-2.6 -2,-0.2 -5,-0.4 -1,-0.2 0.444 110.9 71.4 -97.7 -3.7 6.7 39.4 -9.1 32 55 A G S < S- 0 0 34 -4,-0.7 4,-0.3 -5,-0.1 -3,-0.1 0.047 104.1 -75.2 -94.8-155.0 8.0 36.8 -11.6 33 56 A A S > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.440 100.9 99.2 -85.8 -3.5 7.4 36.0 -15.2 34 57 A F H > S+ 0 0 2 -6,-0.3 4,-1.8 -5,-0.2 5,-0.2 0.876 79.4 46.5 -53.0 -53.7 4.0 34.4 -14.4 35 58 A P H > S+ 0 0 37 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.968 115.8 46.6 -57.8 -50.3 1.7 37.2 -15.3 36 59 A E H > S+ 0 0 104 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.860 110.1 52.0 -58.8 -43.1 3.5 37.9 -18.6 37 60 A E H X S+ 0 0 51 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.834 110.5 48.8 -65.0 -34.1 3.6 34.2 -19.7 38 61 A L H <>S+ 0 0 0 -4,-1.8 5,-2.4 -3,-0.3 3,-0.5 0.830 103.1 61.8 -72.0 -32.5 -0.1 33.8 -19.1 39 62 A R H ><5S+ 0 0 119 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.919 99.0 55.5 -58.0 -44.8 -0.7 37.0 -21.1 40 63 A K H 3<5S+ 0 0 159 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.5 56.5 -55.6 -30.5 0.8 35.1 -24.1 41 64 A Q T 3<5S- 0 0 119 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.418 127.1-101.2 -80.4 -0.7 -1.8 32.4 -23.6 42 65 A G T < 5S+ 0 0 21 -3,-2.2 -37,-2.6 1,-0.3 2,-0.5 0.644 84.7 128.5 84.1 18.3 -4.6 35.0 -23.9 43 66 A I E < -a 5 0A 4 -5,-2.4 2,-0.7 -39,-0.2 -1,-0.3 -0.927 44.4-161.9-114.2 126.6 -5.0 35.2 -20.1 44 67 A K E -a 6 0A 84 -39,-3.3 -37,-3.0 -2,-0.5 2,-0.3 -0.923 14.4-150.8-103.7 111.0 -5.0 38.3 -17.9 45 68 A V E -a 7 0A 17 -2,-0.7 2,-0.4 -10,-0.2 -37,-0.2 -0.610 9.2-164.2 -76.9 136.6 -4.4 37.5 -14.3 46 69 A E E -a 8 0A 77 -39,-2.9 -37,-3.2 -2,-0.3 2,-0.3 -0.995 13.6-135.7-123.0 127.4 -5.9 39.9 -11.8 47 70 A W E -a 9 0A 68 -2,-0.4 -37,-0.2 -39,-0.2 -39,-0.1 -0.601 13.6-167.7 -88.5 138.3 -4.7 39.9 -8.3 48 71 A V E -a 10 0A 39 -39,-2.6 -37,-1.5 -2,-0.3 2,-0.1 -0.807 17.2-161.6-118.5 84.6 -7.1 40.1 -5.3 49 72 A P E -a 11 0A 78 0, 0.0 2,-0.4 0, 0.0 -37,-0.2 -0.431 5.9-163.7 -65.0 139.3 -4.8 40.8 -2.4 50 73 A A E -a 12 0A 2 -39,-2.1 -37,-3.2 -2,-0.1 5,-0.1 -0.989 19.1-121.8-130.6 125.2 -6.3 40.0 1.0 51 74 A A > - 0 0 55 -2,-0.4 3,-2.6 -39,-0.2 4,-0.4 -0.235 43.7 -95.9 -57.4 153.6 -5.1 41.2 4.4 52 75 A X T 3 S+ 0 0 125 -39,-0.5 3,-0.2 1,-0.3 -1,-0.1 0.719 124.1 35.7 -57.6 -25.2 -4.2 38.4 6.8 53 76 A A T 3 S+ 0 0 95 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.126 98.7 74.5-123.1 48.5 -7.6 38.5 8.4 54 77 A S <>> + 0 0 36 -3,-2.6 4,-2.3 2,-0.1 5,-0.7 0.175 67.5 107.4-111.0 0.6 -9.8 39.3 5.5 55 78 A V H >>S+ 0 0 18 -4,-0.4 5,-2.3 3,-0.2 4,-0.6 0.850 79.6 40.7 -56.0 -45.5 -9.3 35.7 4.4 56 79 A G H 4>S+ 0 0 35 3,-0.2 5,-2.1 4,-0.2 -1,-0.2 0.988 122.3 36.9 -59.6 -66.5 -12.8 34.6 5.3 57 80 A P H 45S+ 0 0 98 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.526 132.9 28.2 -72.8 -8.3 -14.9 37.6 4.1 58 81 A V H X5S+ 0 0 54 -4,-2.3 4,-1.9 -7,-0.1 -3,-0.2 0.709 131.1 24.8-112.7 -59.8 -12.6 38.1 1.0 59 82 A I H XS+ 0 0 6 -4,-1.9 5,-2.2 2,-0.2 6,-1.3 0.881 112.2 48.5 -61.6 -40.9 -15.0 35.3 -3.1 63 86 A F H ><5S+ 0 0 2 -4,-2.7 3,-1.2 4,-0.2 -2,-0.2 0.946 110.8 51.1 -58.6 -49.5 -14.8 31.6 -3.8 64 87 A A H 3<5S+ 0 0 60 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.846 115.3 40.3 -59.2 -40.8 -18.3 31.0 -2.4 65 88 A S T 3<5S- 0 0 67 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.382 112.6-116.7 -90.0 2.8 -19.9 33.8 -4.6 66 89 A G T < 5S+ 0 0 23 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.691 81.6 123.3 67.2 20.9 -17.8 32.8 -7.6 67 90 A K < + 0 0 132 -5,-2.2 2,-0.3 -6,-0.3 -4,-0.2 0.418 68.7 48.9 -91.6 1.8 -16.1 36.2 -7.6 68 91 A I - 0 0 6 -6,-1.3 -59,-0.1 1,-0.1 3,-0.1 -0.971 58.7-172.1-138.3 148.2 -12.6 34.6 -7.4 69 92 A D + 0 0 6 -61,-1.8 137,-2.6 1,-0.4 2,-0.3 0.771 69.9 19.0-112.0 -41.3 -11.2 31.8 -9.5 70 93 A F E -bC 9 205A 0 -62,-2.2 -60,-2.7 135,-0.2 -1,-0.4 -0.922 59.9-165.7-131.8 157.2 -7.9 30.9 -7.9 71 94 A G E -bC 10 204A 0 133,-2.2 133,-3.2 -2,-0.3 2,-0.9 -0.960 11.6-156.2-149.9 124.3 -6.3 31.4 -4.6 72 95 A I E +bC 11 203A 2 -62,-3.4 -60,-0.8 -2,-0.3 2,-0.2 -0.835 53.4 102.9-102.2 98.2 -2.8 31.1 -3.4 73 96 A Y E - C 0 202A 2 129,-1.7 129,-2.4 -2,-0.9 21,-0.1 -0.858 68.5 -56.0-157.7-172.1 -2.9 30.5 0.4 74 97 A G E - C 0 201A 21 -2,-0.2 127,-0.3 127,-0.2 -1,-0.1 -0.048 43.9-113.1 -74.6 176.4 -2.7 27.9 3.1 75 98 A D S > S+ 0 0 8 125,-0.9 4,-1.7 2,-0.1 5,-0.2 0.667 100.5 74.4 -84.9 -17.8 -4.7 24.7 3.6 76 99 A L H > S+ 0 0 13 124,-0.2 4,-2.0 2,-0.2 3,-0.2 0.986 96.1 44.3 -65.4 -56.8 -6.5 25.7 6.7 77 100 A P H > S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.927 114.0 48.7 -50.4 -53.2 -9.1 28.2 5.2 78 101 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 10,-0.2 0.844 108.9 55.0 -60.9 -33.9 -10.0 26.0 2.1 79 102 A I H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 219,-0.2 0.926 110.0 46.4 -55.3 -46.5 -10.5 23.0 4.5 80 103 A I H X S+ 0 0 50 -4,-2.0 4,-1.2 -3,-0.3 -1,-0.2 0.889 114.5 47.3 -66.3 -40.3 -13.0 25.2 6.5 81 104 A L H X S+ 0 0 18 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.948 111.3 50.5 -61.2 -52.2 -14.7 26.3 3.3 82 105 A N H < S+ 0 0 10 -4,-2.9 217,-0.2 1,-0.2 -2,-0.2 0.758 102.3 60.3 -62.6 -29.7 -15.0 22.8 1.9 83 106 A A H < S+ 0 0 15 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.953 106.6 47.0 -62.3 -47.1 -16.4 21.4 5.1 84 107 A S H < S- 0 0 105 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.858 141.0 -24.9 -57.5 -39.8 -19.4 23.8 4.7 85 108 A K S < S- 0 0 142 -4,-1.6 2,-0.3 3,-0.0 -1,-0.3 -0.830 73.5 -94.6-175.2 134.0 -19.6 22.7 1.0 86 109 A P + 0 0 70 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.409 66.8 137.4 -56.5 116.6 -17.3 21.3 -1.6 87 110 A T + 0 0 19 1,-0.3 120,-3.0 -2,-0.3 121,-0.3 0.626 50.7 40.2-131.9 -30.5 -16.1 24.5 -3.4 88 111 A V E -D 206 0A 1 118,-0.3 2,-0.3 -10,-0.2 -1,-0.3 -0.925 53.9-156.0-143.6 147.5 -12.4 24.4 -4.0 89 112 A Q E -D 205 0A 22 116,-2.6 116,-3.0 -2,-0.3 2,-0.7 -0.947 25.5-119.7-126.6 144.5 -9.6 22.1 -5.2 90 113 A L E +De 204 304A 0 213,-3.2 215,-2.0 -2,-0.3 114,-0.2 -0.775 37.0 165.9 -83.2 113.2 -5.8 22.0 -4.7 91 114 A V E S+ 0 0 0 112,-2.7 113,-0.2 -2,-0.7 -1,-0.2 0.506 71.7 20.4-106.6 -10.7 -4.4 22.2 -8.3 92 115 A A E S-D 203 0A 0 111,-1.2 111,-3.3 216,-0.1 -1,-0.3 -0.685 72.1-147.4-159.0 103.2 -0.8 23.1 -7.3 93 116 A P E -D 202 0A 4 0, 0.0 109,-0.3 0, 0.0 3,-0.1 -0.507 8.7-148.9 -66.3 137.5 0.7 22.4 -3.9 94 117 A W - 0 0 17 107,-2.7 2,-0.3 1,-0.3 108,-0.2 0.387 39.4-117.3 -91.0 3.7 3.3 25.0 -3.0 95 118 A G - 0 0 9 106,-0.5 2,-0.6 175,-0.2 -1,-0.3 -0.765 62.2 -22.5 98.7-144.1 5.4 22.6 -0.9 96 119 A T - 0 0 9 172,-2.2 104,-0.2 -2,-0.3 3,-0.1 -0.923 54.6-172.6-112.8 119.6 6.0 23.1 2.7 97 120 A T + 0 0 43 102,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.927 58.3 7.2 -82.4 -40.8 5.6 26.5 3.9 98 121 A S - 0 0 16 101,-0.4 101,-2.1 74,-0.0 -1,-0.2 -0.995 49.8-141.2-147.5 142.8 6.8 26.5 7.6 99 122 A N - 0 0 0 -2,-0.3 2,-0.3 99,-0.2 74,-0.3 -0.471 28.2-133.2 -80.0 166.4 8.4 24.6 10.4 100 123 A S - 0 0 0 -2,-0.2 90,-2.4 72,-0.1 2,-0.3 -0.887 19.3-157.6-120.6 162.2 7.1 24.9 13.9 101 124 A Y E -GH 171 189C 0 70,-2.7 70,-2.1 -2,-0.3 2,-0.5 -0.991 16.8-143.1-144.8 138.8 9.2 25.4 17.0 102 125 A L E -GH 170 188C 0 86,-2.7 85,-2.7 -2,-0.3 86,-1.2 -0.943 27.1-171.7-104.1 125.1 9.1 24.9 20.8 103 126 A V E -GH 169 186C 0 66,-2.1 66,-2.2 -2,-0.5 83,-0.2 -0.939 6.9-173.7-120.6 135.9 10.8 27.8 22.6 104 127 A V E - H 0 185C 0 81,-2.5 81,-2.7 -2,-0.4 64,-0.2 -0.879 42.0 -79.7-122.3 158.1 11.6 27.9 26.4 105 128 A P E > - 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0 0 28 -2,-1.0 -2,-0.0 -29,-0.3 0, 0.0 -0.967 57.5 -98.0-141.3 153.2 -2.3 34.4 22.4 153 176 A N > - 0 0 58 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.197 48.8 -97.8 -63.9 166.0 -1.0 35.6 19.1 154 177 A P H > S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.776 122.4 54.7 -60.0 -26.5 2.8 35.1 18.4 155 178 A Q H > S+ 0 0 120 2,-0.2 4,-2.4 3,-0.2 5,-0.1 0.933 112.9 39.4 -75.4 -46.4 3.6 38.7 19.5 156 179 A V H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.885 117.6 52.1 -64.5 -41.2 2.0 38.5 22.9 157 180 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.873 109.4 48.5 -64.0 -40.7 3.3 34.9 23.2 158 181 A A H X S+ 0 0 25 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.942 113.4 47.0 -62.1 -50.4 6.8 36.1 22.4 159 182 A A H X S+ 0 0 59 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.890 111.8 51.9 -58.8 -40.6 6.6 38.9 24.9 160 183 A A H X>S+ 0 0 14 -4,-2.7 5,-2.7 2,-0.2 6,-0.9 0.878 109.9 47.3 -65.1 -41.3 5.2 36.5 27.6 161 184 A L H ><5S+ 0 0 2 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.891 108.3 55.1 -67.4 -41.2 8.0 34.0 27.1 162 185 A A H 3<5S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.782 112.3 45.8 -59.6 -29.3 10.6 36.7 27.3 163 186 A S H 3<5S- 0 0 92 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.656 111.7-117.5 -83.9 -21.7 9.0 37.7 30.7 164 187 A G T <<5S+ 0 0 48 -4,-0.9 -3,-0.2 -3,-0.6 -2,-0.1 0.729 78.5 128.5 76.3 25.0 8.8 34.2 32.1 165 188 A T S S- 0 0 21 -2,-0.2 3,-2.5 -72,-0.2 -72,-0.1 -0.049 77.0 -49.2 -95.6-158.4 6.9 29.4 13.6 173 196 A F T > S+ 0 0 21 -74,-0.3 3,-1.8 1,-0.3 4,-0.3 0.597 118.3 84.9 -58.6 -13.6 10.3 30.9 12.5 174 197 A D T >> S+ 0 0 18 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.730 73.2 80.2 -56.6 -20.2 9.5 34.1 14.5 175 198 A S H X> S+ 0 0 0 -3,-2.5 4,-0.8 1,-0.2 3,-0.8 0.838 77.9 67.4 -52.1 -36.0 10.9 32.0 17.4 176 199 A Y H <> S+ 0 0 23 -3,-1.8 4,-2.6 1,-0.3 -1,-0.2 0.755 87.8 64.3 -62.6 -30.0 14.5 32.8 16.2 177 200 A I H <> S+ 0 0 41 -3,-1.1 4,-2.4 -4,-0.3 -1,-0.3 0.914 97.8 57.6 -56.6 -44.7 14.1 36.5 17.2 178 201 A L H <<>S+ 0 0 11 -3,-0.8 5,-1.9 -4,-0.7 6,-1.6 0.828 107.1 46.7 -55.8 -38.4 13.8 35.2 20.7 179 202 A E H ><5S+ 0 0 67 -4,-0.8 3,-2.0 4,-0.2 -2,-0.2 0.946 110.9 53.4 -67.4 -44.4 17.2 33.5 20.3 180 203 A D H 3<5S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.817 107.0 48.9 -63.2 -33.4 18.6 36.8 18.8 181 204 A R T 3<5S- 0 0 206 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.379 114.0-122.6 -84.8 6.5 17.5 39.0 21.7 182 205 A G T < 5S+ 0 0 47 -3,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.703 85.0 108.1 65.5 23.7 19.1 36.3 23.9 183 206 A V S -H 101 0C 15 -2,-0.3 3,-1.6 -88,-0.2 -88,-0.2 -0.979 45.6-112.9-156.9 154.1 11.4 21.9 15.9 190 213 A T G > S+ 0 0 0 -90,-2.4 3,-1.6 -2,-0.3 7,-0.1 0.526 101.0 90.1 -69.7 -5.3 9.5 20.2 13.0 191 214 A K G 3 S+ 0 0 19 -91,-0.3 71,-0.4 1,-0.3 -1,-0.3 0.600 94.7 41.2 -61.4 -12.4 12.9 20.0 11.3 192 215 A T G < S+ 0 0 88 -3,-1.6 -1,-0.3 69,-0.1 -2,-0.2 0.250 105.4 88.4-113.2 8.9 13.2 16.7 13.1 193 216 A A S < S- 0 0 1 -3,-1.6 69,-0.1 1,-0.2 5,-0.0 -0.506 90.7 -77.5-100.9 167.8 9.6 15.6 12.5 194 217 A P > - 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D 0 88A 38 -137,-2.6 4,-2.0 -2,-0.4 3,-0.9 -0.493 30.2-133.0 -62.8 125.4 -13.0 27.0 -7.7 207 230 A N H 3> S+ 0 0 23 -120,-3.0 4,-2.4 1,-0.3 5,-0.2 0.879 105.8 48.8 -53.0 -46.1 -14.5 23.6 -8.6 208 231 A D H 3> S+ 0 0 108 -121,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.746 108.2 55.6 -62.4 -31.8 -16.9 25.1 -11.1 209 232 A F H <> S+ 0 0 17 -3,-0.9 4,-2.8 2,-0.2 -2,-0.2 0.916 109.9 44.7 -69.0 -43.7 -14.0 27.1 -12.7 210 233 A V H < S+ 0 0 12 -4,-2.0 -2,-0.2 2,-0.2 7,-0.2 0.944 111.5 52.2 -62.7 -52.3 -12.0 23.9 -13.3 211 234 A K H < S+ 0 0 179 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 118.5 38.4 -53.3 -42.7 -14.9 21.9 -14.6 212 235 A Q H < S+ 0 0 152 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.852 128.0 30.8 -78.1 -35.8 -15.7 24.8 -17.1 213 236 A N X + 0 0 47 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 -0.506 57.4 151.7-129.7 68.3 -12.0 25.7 -18.0 214 237 A P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.886 78.9 54.9 -60.5 -38.4 -9.6 22.8 -17.8 215 238 A E H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.939 111.2 42.1 -61.0 -53.5 -7.4 24.4 -20.5 216 239 A I H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 111.4 55.7 -59.5 -43.8 -6.9 27.7 -18.6 217 240 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.926 109.3 48.7 -56.6 -44.1 -6.5 25.9 -15.3 218 241 A Q H X S+ 0 0 25 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.885 106.7 54.2 -61.5 -42.7 -3.6 24.0 -17.0 219 242 A A H X S+ 0 0 13 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.929 110.8 47.9 -61.8 -42.1 -2.0 27.1 -18.3 220 243 A I H X S+ 0 0 2 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.938 114.3 44.8 -60.6 -51.2 -2.0 28.5 -14.8 221 244 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.933 114.7 47.8 -61.2 -48.9 -0.5 25.4 -13.3 222 245 A T H X S+ 0 0 17 -4,-3.3 4,-1.8 2,-0.2 -2,-0.2 0.953 115.1 46.7 -56.2 -48.5 2.1 25.0 -16.0 223 246 A A H X S+ 0 0 4 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.910 111.6 52.2 -61.5 -44.0 3.0 28.7 -15.6 224 247 A Y H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 3,-0.3 0.938 108.2 49.2 -53.8 -55.7 3.1 28.4 -11.8 225 248 A L H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.825 103.2 62.2 -58.7 -32.8 5.5 25.4 -11.9 226 249 A K H X S+ 0 0 92 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.949 108.3 42.7 -56.3 -47.5 7.8 27.3 -14.3 227 250 A S H X S+ 0 0 12 -4,-1.5 4,-2.0 -3,-0.3 -2,-0.2 0.917 114.3 51.1 -61.9 -45.7 8.3 29.9 -11.6 228 251 A V H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.892 106.2 54.1 -62.6 -41.8 8.6 27.3 -8.9 229 252 A H H X S+ 0 0 56 -4,-3.4 4,-0.6 1,-0.2 -1,-0.2 0.865 108.5 51.9 -57.6 -36.1 11.3 25.3 -10.9 230 253 A W H >< S+ 0 0 99 -4,-1.3 3,-0.6 -5,-0.2 -2,-0.2 0.924 113.5 40.3 -70.6 -43.7 13.3 28.5 -11.1 231 254 A V H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.758 105.4 67.5 -75.0 -24.3 13.2 29.3 -7.4 232 255 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.2 0.622 78.6 94.5 -78.3 -13.8 13.8 25.7 -6.4 233 256 A Q S X< S- 0 0 62 -3,-0.6 3,-1.5 -4,-0.6 4,-0.3 -0.544 84.0-123.8 -74.1 143.9 17.3 25.6 -7.8 234 257 A D G >> S+ 0 0 116 1,-0.3 3,-1.6 -2,-0.2 4,-0.5 0.822 106.0 66.4 -61.8 -35.4 20.0 26.3 -5.1 235 258 A E G 34 S+ 0 0 151 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.681 104.8 46.5 -60.4 -15.4 21.5 29.3 -7.1 236 259 A N G <> S+ 0 0 12 -3,-1.5 4,-2.5 -6,-0.2 -1,-0.3 0.408 82.6 93.7-110.6 1.8 18.2 31.1 -6.5 237 260 A K H <> S+ 0 0 52 -3,-1.6 4,-2.6 -4,-0.3 5,-0.2 0.940 87.7 48.5 -57.7 -48.3 17.8 30.5 -2.9 238 261 A E H X S+ 0 0 69 -4,-0.5 4,-2.3 2,-0.2 5,-0.2 0.883 109.4 52.8 -61.8 -40.5 19.5 33.7 -1.9 239 262 A T H >>S+ 0 0 54 -4,-0.3 4,-3.2 2,-0.2 5,-0.5 0.950 109.7 48.9 -58.7 -49.3 17.4 35.7 -4.4 240 263 A Y H X>S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 5,-1.1 0.951 111.3 50.1 -52.5 -52.6 14.3 34.3 -2.8 241 264 A I H <5S+ 0 0 1 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.881 118.7 37.5 -54.1 -43.6 15.5 35.1 0.7 242 265 A R H <5S+ 0 0 129 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.841 132.0 22.5 -82.4 -33.0 16.3 38.7 -0.3 243 266 A E H <5S+ 0 0 104 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.858 129.2 26.1-102.7 -40.9 13.4 39.5 -2.6 244 267 A Y T < - 0 0 48 1,-0.2 3,-1.5 4,-0.1 8,-0.1 -0.677 45.4-169.5 -83.7 103.5 8.7 37.4 4.6 247 270 A K T 3 S+ 0 0 71 -2,-1.0 -1,-0.2 1,-0.3 4,-0.1 0.476 75.6 79.3 -75.8 -3.3 9.9 40.9 5.0 248 271 A I T 3 S+ 0 0 85 2,-0.1 -1,-0.3 -234,-0.0 -2,-0.1 0.777 99.9 51.7 -65.8 -23.2 8.3 41.4 8.5 249 272 A Y S < S- 0 0 39 -3,-1.5 5,-0.1 1,-0.1 -75,-0.0 -0.842 99.8 -94.9-118.8 147.8 11.3 39.5 9.6 250 273 A P >> - 0 0 69 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.148 37.3-111.7 -55.6 151.5 15.1 39.9 9.0 251 274 A E H 3> S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.873 118.0 56.7 -50.7 -41.4 16.7 38.0 6.2 252 275 A S H 3> S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.860 105.7 50.5 -63.3 -36.0 18.7 35.8 8.7 253 276 A V H <> S+ 0 0 0 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.944 113.1 45.4 -64.7 -48.3 15.4 34.8 10.4 254 277 A N H < S+ 0 0 8 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.830 113.2 52.2 -59.1 -34.8 13.9 33.8 6.9 255 278 A R H >< S+ 0 0 66 -4,-2.2 3,-0.7 -5,-0.2 4,-0.2 0.806 104.3 55.2 -75.0 -32.3 17.2 32.1 6.1 256 279 A R H >< S+ 0 0 53 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.765 91.6 71.5 -76.1 -26.0 17.2 30.0 9.3 257 280 A E T 3< S+ 0 0 7 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 107.3 38.2 -55.1 -31.5 13.8 28.6 8.5 258 281 A Y T X S+ 0 0 29 -3,-0.7 3,-0.8 -4,-0.4 -1,-0.2 0.431 94.3 113.0 -99.4 -1.3 15.5 26.6 5.8 259 282 A D T < S- 0 0 71 -3,-0.9 -68,-0.0 -4,-0.2 -3,-0.0 -0.520 89.6 -10.1 -79.4 133.6 18.7 25.8 7.8 260 283 A Q T 3 S+ 0 0 187 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.716 91.6 157.0 57.1 26.3 19.5 22.3 8.9 261 284 A D < - 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