==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-AUG-12 4GT9 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE THYX; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR I.I.MATHEWS,S.A.LESLEY,A.KOHEN . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 14.5 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 0.5 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 . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 1 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 2 0 0 1 0 1 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 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 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 0 A H 0 0 109 0, 0.0 2,-0.4 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 133.5 -43.7 -5.5 3.9 2 1 A M + 0 0 45 190,-0.0 12,-2.9 11,-0.0 2,-0.4 -0.571 360.0 178.3 -68.3 124.1 -40.6 -3.9 5.6 3 2 A K E -A 13 0A 115 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.998 9.6-170.9-132.9 137.6 -38.5 -6.7 7.3 4 3 A I E -A 12 0A 17 8,-2.8 8,-2.2 -2,-0.4 2,-0.2 -0.990 20.7-130.0-135.4 124.9 -35.3 -6.2 9.1 5 4 A D E -A 11 0A 130 -2,-0.4 2,-0.3 6,-0.2 6,-0.3 -0.585 27.4-169.9 -73.3 139.1 -32.9 -8.9 10.4 6 5 A I E > -A 10 0A 9 4,-1.8 4,-1.8 -2,-0.2 3,-0.3 -0.983 48.6 -19.9-133.7 144.3 -31.9 -8.5 14.0 7 6 A L T 4 S- 0 0 40 -2,-0.3 91,-0.0 1,-0.2 60,-0.0 -0.256 111.8 -44.8 52.9-149.5 -29.2 -10.4 16.0 8 7 A D T 4 S+ 0 0 68 1,-0.1 -1,-0.2 -3,-0.0 90,-0.1 0.824 136.0 0.6 -81.1 -35.7 -28.1 -13.8 14.6 9 8 A K T 4 S+ 0 0 80 -3,-0.3 -2,-0.2 57,-0.1 -1,-0.1 0.210 105.3 106.8-140.5 5.3 -31.5 -15.2 13.7 10 9 A G E < -A 6 0A 3 -4,-1.8 -4,-1.8 55,-0.0 2,-0.3 -0.323 39.6-177.9 -88.5 173.8 -34.1 -12.6 14.7 11 10 A F E -AB 5 66A 26 55,-1.7 55,-2.5 -6,-0.3 2,-0.4 -0.989 22.7-147.8-160.0 162.4 -36.3 -10.2 12.7 12 11 A V E +AB 4 65A 0 -8,-2.2 -8,-2.8 -2,-0.3 2,-0.4 -0.994 24.6 179.0-129.1 131.3 -38.9 -7.4 12.9 13 12 A E E -AB 3 64A 54 51,-2.3 51,-2.7 -2,-0.4 2,-0.5 -0.999 28.3-127.9-133.2 134.8 -41.4 -7.2 10.1 14 13 A L E + B 0 63A 10 -12,-2.9 49,-0.3 -2,-0.4 3,-0.1 -0.700 25.8 177.3 -79.1 124.1 -44.3 -4.8 9.6 15 14 A V E - 0 0 61 47,-3.0 2,-0.3 -2,-0.5 48,-0.2 0.809 62.7 -19.3 -92.8 -42.9 -47.5 -6.8 9.0 16 15 A D E - B 0 62A 103 46,-1.7 46,-2.7 2,-0.0 -1,-0.4 -0.979 52.8-159.0-161.5 163.4 -50.0 -3.9 8.8 17 16 A V E - B 0 61A 44 -2,-0.3 2,-0.5 44,-0.2 44,-0.2 -0.982 8.4-150.6-149.6 141.6 -50.5 -0.3 9.6 18 17 A M E - B 0 60A 115 42,-2.9 42,-2.0 -2,-0.3 2,-0.1 -0.985 63.7 -16.5-113.2 121.2 -53.5 2.0 10.0 19 18 A G - 0 0 30 -2,-0.5 2,-0.3 40,-0.2 40,-0.1 -0.278 58.4-130.0 89.5-171.9 -53.1 5.5 9.2 20 19 A N >> - 0 0 74 38,-0.1 3,-1.5 -2,-0.1 4,-0.8 -0.852 54.8 -55.7-163.3-171.1 -50.2 7.9 8.7 21 20 A D H >> S+ 0 0 10 175,-0.4 4,-1.4 1,-0.3 3,-1.0 0.892 131.3 58.7 -52.8 -38.9 -49.2 11.4 9.9 22 21 A L H 3> S+ 0 0 44 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.754 91.9 68.3 -68.0 -23.3 -52.5 12.8 8.7 23 22 A S H <> S+ 0 0 25 -3,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.861 102.2 46.1 -60.1 -39.0 -54.5 10.4 10.9 24 23 A A H S+ 0 0 74 -4,-2.8 5,-2.3 2,-0.2 4,-0.9 0.895 113.7 47.9 -65.7 -37.9 -57.5 14.6 11.5 27 26 A A H ><5S+ 0 0 32 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.932 111.4 51.1 -67.8 -43.3 -58.2 13.2 14.9 28 27 A A H 3<5S+ 0 0 39 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.908 118.7 36.7 -58.5 -44.9 -56.8 16.3 16.6 29 28 A R H 3<5S- 0 0 71 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.548 101.8-131.3 -81.5 -11.4 -59.0 18.5 14.5 30 29 A V T <<5 - 0 0 126 -4,-0.9 -3,-0.2 -3,-0.6 2,-0.1 0.955 45.1-160.5 52.1 54.1 -62.0 16.1 14.5 31 30 A S < - 0 0 26 -5,-2.3 -1,-0.2 1,-0.2 -5,-0.0 -0.389 43.9-173.2 -77.1 139.2 -61.9 16.8 10.8 32 31 A F S S+ 0 0 206 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.650 70.3 96.3 -83.6 -26.9 -64.6 16.2 8.2 33 32 A D + 0 0 79 1,-0.1 2,-0.1 -7,-0.1 -2,-0.1 -0.521 47.5 178.3 -74.7 120.5 -62.0 17.1 5.6 34 33 A M 0 0 114 -2,-0.4 -1,-0.1 -8,-0.0 -2,-0.0 -0.517 360.0 360.0-113.4 57.7 -60.4 14.1 4.1 35 34 A G 0 0 94 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.277 360.0 360.0 -95.7 360.0 -58.2 16.1 1.7 36 ! 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 37 38 A E > 0 0 129 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-147.5 -48.7 20.3 4.3 38 39 A E H > + 0 0 146 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.940 360.0 43.7 -59.5 -45.0 -47.0 23.3 6.1 39 40 A R H > S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 113.3 49.4 -72.4 -38.7 -50.0 23.5 8.4 40 41 A D H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 112.9 47.1 -67.9 -41.6 -50.4 19.8 9.0 41 42 A R H X S+ 0 0 87 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.918 110.1 52.9 -66.5 -38.8 -46.7 19.4 9.8 42 43 A H H X S+ 0 0 98 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.876 106.5 54.1 -62.3 -35.8 -46.8 22.4 12.2 43 44 A L H X S+ 0 0 36 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.937 108.1 49.2 -63.9 -45.4 -49.7 20.8 14.0 44 45 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.922 112.3 48.0 -60.1 -42.7 -47.8 17.6 14.6 45 46 A E H X S+ 0 0 39 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.915 111.5 51.0 -63.5 -40.7 -44.8 19.6 15.9 46 47 A Y H X S+ 0 0 114 -4,-2.5 4,-1.8 2,-0.2 6,-0.3 0.936 111.2 47.3 -59.9 -48.5 -47.1 21.6 18.2 47 48 A L H X>S+ 0 0 11 -4,-2.8 5,-2.4 1,-0.2 4,-0.5 0.937 115.3 46.0 -59.6 -48.1 -48.7 18.6 19.6 48 49 A M H ><5S+ 0 0 3 -4,-2.4 3,-1.0 -5,-0.2 -2,-0.2 0.917 110.4 51.1 -64.4 -43.6 -45.4 16.9 20.2 49 50 A K H 3<5S+ 0 0 100 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.833 115.3 43.5 -68.0 -27.8 -43.6 19.9 21.7 50 51 A H H 3<5S- 0 0 99 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.388 112.8-111.8 -98.3 3.6 -46.5 20.4 24.2 51 52 A G T <<5 + 0 0 48 -3,-1.0 2,-1.6 -4,-0.5 -3,-0.2 0.677 67.1 144.5 77.0 19.3 -47.0 16.7 25.2 52 53 A H < + 0 0 79 -5,-2.4 -1,-0.2 -6,-0.3 4,-0.1 -0.610 15.3 150.6 -89.7 79.1 -50.4 16.5 23.6 53 54 A E > + 0 0 33 -2,-1.6 3,-1.3 1,-0.2 4,-0.4 0.546 36.2 93.6-100.9 -5.5 -50.0 12.9 22.5 54 55 A T G > S+ 0 0 80 1,-0.2 3,-1.9 2,-0.2 4,-0.3 0.852 79.4 64.2 -53.9 -34.8 -53.5 11.4 22.4 55 56 A P G > S+ 0 0 12 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.836 93.9 61.8 -62.5 -25.9 -53.9 12.2 18.7 56 57 A F G X S+ 0 0 0 -3,-1.3 3,-1.4 1,-0.3 107,-0.9 0.626 83.5 78.6 -73.9 -12.2 -51.0 9.8 17.9 57 58 A E G < S+ 0 0 73 -3,-1.9 -1,-0.3 -4,-0.4 -3,-0.1 0.663 80.7 70.0 -65.8 -14.3 -53.1 7.0 19.4 58 59 A H G < S+ 0 0 102 -3,-1.5 2,-0.5 -4,-0.3 -1,-0.2 0.360 83.7 78.7 -86.9 3.6 -55.0 6.9 16.1 59 60 A I < - 0 0 0 -3,-1.4 104,-2.2 -40,-0.1 2,-0.4 -0.968 68.0-174.8-108.8 126.2 -52.0 5.6 14.2 60 61 A V E -BC 18 162A 35 -42,-2.0 -42,-2.9 -2,-0.5 2,-0.3 -0.970 10.9-166.7-132.0 142.4 -51.6 1.8 14.7 61 62 A F E -BC 17 161A 0 100,-2.7 100,-2.2 -2,-0.4 2,-0.4 -0.936 9.3-157.8-123.1 147.7 -49.0 -0.8 13.7 62 63 A T E -BC 16 160A 27 -46,-2.7 -47,-3.0 -2,-0.3 -46,-1.7 -0.998 19.9-177.7-122.5 126.4 -48.9 -4.6 13.7 63 64 A F E -BC 14 159A 0 96,-2.7 96,-2.6 -2,-0.4 2,-0.5 -0.888 23.5-144.1-115.8 151.6 -45.4 -6.2 13.7 64 65 A H E -BC 13 158A 29 -51,-2.7 -51,-2.3 -2,-0.3 2,-0.4 -0.987 28.6-171.3-110.3 125.4 -44.3 -9.8 13.6 65 66 A V E -BC 12 157A 0 92,-2.7 92,-2.3 -2,-0.5 2,-0.5 -0.946 20.2-164.2-125.3 133.9 -41.1 -10.2 15.8 66 67 A K E +BC 11 156A 27 -55,-2.5 -55,-1.7 -2,-0.4 90,-0.2 -0.990 35.4 143.1-115.6 118.9 -38.7 -13.1 16.2 67 68 A A E - C 0 155A 0 88,-2.0 88,-2.7 -2,-0.5 -2,-0.0 -0.980 52.9 -87.9-153.1 155.2 -36.6 -12.6 19.3 68 69 A P E >> - C 0 154A 0 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.323 44.2-110.4 -66.2 154.5 -35.1 -14.5 22.2 69 70 A I H 3> S+ 0 0 51 84,-2.4 4,-2.8 1,-0.3 5,-0.2 0.871 117.2 57.0 -55.3 -42.5 -37.3 -15.1 25.3 70 71 A F H 3> S+ 0 0 30 81,-2.2 4,-1.0 1,-0.2 -1,-0.3 0.866 110.6 45.3 -63.7 -29.5 -35.2 -12.7 27.5 71 72 A V H <> S+ 0 0 0 -3,-0.9 4,-2.5 80,-0.3 3,-0.4 0.938 112.8 50.3 -72.1 -46.6 -35.9 -9.9 24.9 72 73 A A H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.868 104.5 58.9 -60.3 -37.8 -39.5 -10.8 24.7 73 74 A R H < S+ 0 0 159 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.2 0.899 111.1 41.5 -56.5 -43.4 -39.8 -10.8 28.6 74 75 A Q H >< S+ 0 0 45 -4,-1.0 3,-1.4 -3,-0.4 4,-0.2 0.931 115.0 50.9 -69.9 -44.8 -38.7 -7.2 28.6 75 76 A W H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.899 103.2 58.7 -60.6 -43.0 -40.8 -6.2 25.5 76 77 A F T 3< S+ 0 0 60 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.545 84.7 79.7 -72.8 -5.8 -44.0 -7.7 27.0 77 78 A R T < + 0 0 185 -3,-1.4 2,-1.3 -4,-0.3 -1,-0.3 0.664 68.8 94.9 -68.9 -16.6 -43.8 -5.4 30.0 78 79 A H < - 0 0 14 -3,-2.0 -1,-0.1 -4,-0.2 87,-0.0 -0.668 57.4-179.2 -77.2 93.6 -45.3 -2.8 27.6 79 80 A R + 0 0 218 -2,-1.3 2,-1.7 1,-0.2 -1,-0.2 0.657 61.9 79.3 -72.4 -25.3 -48.9 -3.3 28.7 80 81 A I S S+ 0 0 120 -3,-0.1 82,-0.3 85,-0.1 2,-0.3 -0.587 91.1 59.6 -89.7 73.3 -50.5 -0.7 26.4 81 82 A A S S- 0 0 26 -2,-1.7 2,-0.4 80,-0.1 80,-0.2 -0.941 82.4-103.3-179.0 173.8 -50.3 -3.0 23.4 82 83 A S E -D 160 0A 75 78,-2.5 78,-2.2 -2,-0.3 2,-0.3 -0.945 32.4-176.0-125.9 139.4 -51.6 -6.4 22.1 83 84 A Y E -D 159 0A 57 -2,-0.4 2,-0.3 76,-0.2 76,-0.2 -0.995 16.7-178.9-134.5 141.9 -49.5 -9.6 21.9 84 85 A N E -D 158 0A 124 74,-1.8 74,-2.6 -2,-0.3 2,-0.3 -0.957 21.9-176.2-139.7 127.6 -50.0 -13.1 20.6 85 86 A E E -D 157 0A 67 -2,-0.3 72,-0.2 72,-0.2 -2,-0.0 -0.848 32.7 -93.4-123.7 148.4 -47.0 -15.5 21.0 86 87 A L - 0 0 72 70,-2.2 2,-0.5 -2,-0.3 70,-0.0 -0.360 46.0-131.5 -53.4 141.3 -46.0 -19.0 20.1 87 88 A S > - 0 0 35 1,-0.1 4,-1.6 5,-0.1 -1,-0.1 -0.884 20.3-163.2-110.7 126.8 -46.8 -21.4 22.9 88 89 A G T 4 S+ 0 0 7 -2,-0.5 58,-0.2 1,-0.2 5,-0.1 0.515 96.3 58.4 -80.6 -5.8 -44.5 -24.1 24.4 89 90 A R T 4 S+ 0 0 113 54,-0.1 54,-0.4 1,-0.1 -1,-0.2 0.823 117.3 29.5 -78.9 -39.3 -47.5 -25.7 25.9 90 91 A Y T 4 S+ 0 0 160 52,-0.1 2,-0.3 53,-0.1 -2,-0.2 0.621 121.6 41.6-101.1 -16.6 -49.2 -26.2 22.6 91 92 A S S < S- 0 0 55 -4,-1.6 2,-0.4 51,-0.0 -1,-0.0 -0.878 79.2-110.0-129.2 156.1 -46.3 -26.6 20.2 92 93 A K - 0 0 108 -2,-0.3 2,-0.3 -3,-0.0 -3,-0.1 -0.770 45.5-125.9 -78.5 132.5 -42.9 -28.3 20.0 93 94 A L - 0 0 25 -2,-0.4 2,-0.1 -5,-0.1 62,-0.1 -0.644 20.6-115.2 -90.4 141.6 -40.4 -25.5 20.1 94 95 A S - 0 0 80 -2,-0.3 2,-1.5 60,-0.2 60,-0.2 -0.411 23.4-109.9 -77.6 150.2 -37.7 -25.2 17.5 95 96 A Y S S+ 0 0 110 -2,-0.1 2,-0.3 58,-0.1 -1,-0.1 -0.600 71.0 127.2 -77.2 92.3 -33.9 -25.5 18.0 96 97 A E + 0 0 67 -2,-1.5 58,-2.8 58,-0.1 2,-0.3 -0.898 30.0 173.2-154.9 117.8 -33.0 -21.9 17.5 97 98 A F B -E 153 0B 3 -2,-0.3 2,-0.7 56,-0.3 56,-0.2 -0.949 35.7-115.6-129.7 145.0 -31.0 -19.9 20.0 98 99 A Y - 0 0 11 54,-2.5 54,-0.0 -2,-0.3 -91,-0.0 -0.735 31.7-172.5 -79.0 116.7 -29.4 -16.5 20.2 99 100 A I - 0 0 28 -2,-0.7 19,-0.1 23,-0.0 20,-0.0 -0.953 23.9-126.0-111.6 114.0 -25.6 -17.0 20.4 100 101 A P - 0 0 24 0, 0.0 21,-0.1 0, 0.0 5,-0.0 -0.258 20.5-115.8 -58.9 147.4 -23.9 -13.7 21.1 101 102 A S > - 0 0 53 1,-0.1 3,-1.8 17,-0.0 4,-0.3 -0.419 26.8-113.5 -71.7 151.3 -21.1 -12.7 18.7 102 103 A P G > S+ 0 0 29 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.858 118.4 66.4 -54.4 -30.5 -17.6 -12.4 20.3 103 104 A E G > S+ 0 0 133 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.638 79.1 81.2 -64.7 -15.8 -18.0 -8.6 19.7 104 105 A R G < S+ 0 0 60 -3,-1.8 -1,-0.3 1,-0.3 76,-0.1 0.752 90.1 53.2 -58.9 -25.8 -20.8 -8.6 22.2 105 106 A L G X S+ 0 0 42 -3,-1.8 3,-2.3 -4,-0.3 -1,-0.3 0.182 75.4 140.7 -98.4 15.8 -18.1 -8.5 24.9 106 107 A E T < S+ 0 0 170 -3,-1.8 3,-0.1 1,-0.3 -3,-0.0 -0.335 71.6 23.8 -60.7 134.3 -16.3 -5.4 23.5 107 108 A G T 3 S+ 0 0 86 1,-0.2 2,-0.5 -2,-0.0 -1,-0.3 0.209 102.1 103.3 92.0 -13.2 -15.1 -3.2 26.4 108 109 A Y < - 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0 0 34 -5,-3.1 -41,-0.1 -6,-0.2 -42,-0.0 -0.344 37.9-171.7 -58.3 128.1 -37.7 11.6 22.5 210 211 A K + 0 0 159 -2,-0.1 -1,-0.1 -42,-0.1 -39,-0.1 0.527 51.6 91.2-100.2 -12.4 -36.1 10.9 25.8 211 212 A G - 0 0 15 -37,-0.1 -36,-0.2 -36,-0.1 -40,-0.1 -0.085 67.3-134.3 -84.2-177.4 -33.4 8.3 24.7 212 213 A D S S+ 0 0 87 -38,-0.2 -37,-0.2 -41,-0.1 -1,-0.1 0.174 86.1 60.5-128.6 17.9 -29.8 8.7 23.6 213 214 A I S S+ 0 0 47 -39,-0.9 2,-0.2 -30,-0.0 -38,-0.1 0.743 72.2 93.6-116.3 -32.0 -29.4 6.5 20.5 214 215 A L 0 0 22 -40,-0.5 -27,-0.0 -44,-0.1 -40,-0.0 -0.485 360.0 360.0 -74.8 138.3 -31.8 7.7 17.8 215 216 A K 0 0 185 -2,-0.2 -3,-0.0 -3,-0.0 0, 0.0 -0.171 360.0 360.0 34.6 360.0 -30.1 10.1 15.4