==== 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 4GTA . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE THYX; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR I.I.MATHEWS,S.A.LESLEY,A.KOHEN . 215 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 71.2 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 14.4 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 . 8 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 37.2 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 1 0 1 1 0 0 1 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 98 0, 0.0 2,-0.5 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 -97.5 -43.6 -5.4 3.9 2 1 A M + 0 0 44 12,-0.1 12,-2.9 191,-0.0 2,-0.3 -0.676 360.0 176.3 -76.6 123.1 -40.6 -3.8 5.7 3 2 A K E -A 13 0A 113 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.993 10.9-169.8-132.8 140.7 -38.5 -6.6 7.4 4 3 A I E -A 12 0A 25 8,-2.7 8,-2.1 -2,-0.3 2,-0.3 -0.994 20.6-129.8-136.8 126.3 -35.2 -6.2 9.3 5 4 A D E -A 11 0A 130 -2,-0.4 2,-0.3 6,-0.2 6,-0.3 -0.606 27.4-169.1 -74.5 141.7 -32.8 -8.9 10.6 6 5 A I E > -A 10 0A 9 4,-1.7 4,-1.9 -2,-0.3 3,-0.3 -0.980 49.0 -21.3-136.3 140.3 -31.8 -8.5 14.2 7 6 A L T 4 S- 0 0 40 -2,-0.3 92,-0.0 1,-0.2 61,-0.0 -0.281 111.6 -44.2 55.9-148.3 -29.1 -10.4 16.2 8 7 A D T 4 S+ 0 0 69 1,-0.1 -1,-0.2 -3,-0.0 91,-0.1 0.798 136.1 0.9 -84.2 -36.8 -28.1 -13.7 14.7 9 8 A K T 4 S+ 0 0 79 -3,-0.3 -2,-0.2 58,-0.1 2,-0.1 0.245 105.3 106.0-137.0 2.8 -31.5 -15.2 13.8 10 9 A G E < -A 6 0A 3 -4,-1.9 -4,-1.7 56,-0.0 2,-0.3 -0.303 39.7-177.9 -84.4 175.6 -34.1 -12.6 14.8 11 10 A F E -AB 5 67A 25 56,-1.7 56,-2.5 -6,-0.3 2,-0.4 -0.982 22.7-147.4-162.9 161.4 -36.3 -10.2 12.9 12 11 A V E +AB 4 66A 0 -8,-2.1 -8,-2.7 -2,-0.3 2,-0.4 -0.994 24.1 179.0-126.9 132.9 -38.8 -7.4 13.0 13 12 A E E -AB 3 65A 58 52,-2.3 52,-2.7 -2,-0.4 2,-0.5 -0.999 28.4-127.9-134.9 133.6 -41.4 -7.2 10.2 14 13 A L E + B 0 64A 11 -12,-2.9 50,-0.3 -2,-0.4 3,-0.1 -0.739 26.4 176.6 -76.5 123.6 -44.3 -4.7 9.7 15 14 A V E - 0 0 65 48,-3.0 2,-0.3 -2,-0.5 49,-0.2 0.794 62.4 -18.0 -93.3 -40.9 -47.5 -6.7 9.1 16 15 A D E - B 0 63A 100 47,-1.7 47,-2.7 2,-0.0 -1,-0.4 -0.979 53.2-159.3-162.2 164.6 -50.0 -3.9 8.9 17 16 A V E - B 0 62A 46 -2,-0.3 2,-0.5 45,-0.2 45,-0.2 -0.980 7.1-153.3-151.9 142.2 -50.5 -0.2 9.8 18 17 A M E - B 0 61A 116 43,-2.9 43,-2.1 -2,-0.3 2,-0.1 -0.992 62.2 -12.4-115.8 121.7 -53.5 2.0 10.2 19 18 A G - 0 0 30 -2,-0.5 2,-0.3 41,-0.2 41,-0.1 -0.261 58.0-133.6 89.9-177.1 -53.1 5.7 9.5 20 19 A N >> - 0 0 70 39,-0.1 3,-1.4 -2,-0.1 4,-0.9 -0.870 51.9 -57.3-161.8-173.3 -50.3 8.1 8.9 21 20 A D H >> S+ 0 0 11 176,-0.4 4,-1.5 1,-0.3 3,-0.7 0.881 131.4 56.3 -51.5 -40.0 -49.2 11.5 10.1 22 21 A L H 3> S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.753 93.9 68.3 -70.2 -21.9 -52.5 13.0 8.9 23 22 A S H <4 S+ 0 0 27 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.872 103.6 44.8 -59.1 -40.9 -54.5 10.6 11.1 24 23 A A H XX S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.7 3,-1.1 0.893 112.4 51.2 -71.3 -40.3 -53.1 12.5 14.1 25 24 A V H 3X S+ 0 0 5 -4,-1.5 4,-2.2 1,-0.3 5,-0.2 0.932 104.5 54.9 -63.5 -45.7 -53.8 15.9 12.6 26 25 A R H 3< S+ 0 0 179 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.530 114.1 45.5 -72.7 2.8 -57.4 15.1 11.7 27 26 A A H <4 S+ 0 0 22 -3,-1.1 4,-0.4 -5,-0.1 -1,-0.2 0.663 110.1 49.8-108.1 -32.2 -57.7 14.2 15.5 28 27 A A H >< S+ 0 0 12 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.889 108.0 55.0 -66.7 -42.0 -55.9 17.2 17.1 29 28 A R G ><>S+ 0 0 26 -4,-2.2 5,-1.9 1,-0.3 3,-1.2 0.764 87.7 76.0 -73.0 -19.1 -57.9 19.7 15.0 30 29 A V G > 5S+ 0 0 101 1,-0.3 3,-1.9 -5,-0.2 -1,-0.3 0.842 85.6 66.4 -61.1 -31.8 -61.3 18.4 16.2 31 30 A S G < 5S+ 0 0 101 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.909 108.0 38.0 -51.8 -42.0 -60.7 20.2 19.5 32 31 A F G < 5S- 0 0 173 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.199 119.0-108.5 -96.7 11.8 -60.8 23.5 17.7 33 32 A D T < 5 0 0 149 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.933 360.0 360.0 56.5 47.7 -63.6 22.5 15.3 34 33 A M < 0 0 138 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.854 360.0 360.0-129.8 360.0 -61.1 22.4 12.4 35 ! 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 36 36 A K 0 0 124 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -71.2 -55.3 22.8 6.3 37 37 A D > - 0 0 64 1,-0.0 4,-2.9 0, 0.0 5,-0.2 -0.926 360.0 -90.2-156.3 174.1 -52.2 22.5 4.1 38 38 A E H > S+ 0 0 143 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.853 123.2 50.4 -58.5 -40.8 -48.8 20.6 4.4 39 39 A E H > S+ 0 0 158 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 116.8 40.8 -63.1 -45.4 -47.0 23.5 6.2 40 40 A R H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.858 113.1 53.0 -76.2 -33.2 -49.7 23.9 8.8 41 41 A D H X S+ 0 0 20 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.928 112.2 45.4 -67.7 -43.2 -50.3 20.1 9.2 42 42 A R H X S+ 0 0 95 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.920 111.0 53.5 -65.3 -41.1 -46.6 19.5 9.9 43 43 A H H X S+ 0 0 108 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.885 107.2 52.3 -58.9 -37.8 -46.5 22.6 12.3 44 44 A L H X S+ 0 0 25 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.921 107.0 51.8 -64.3 -44.6 -49.4 21.1 14.2 45 45 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.936 112.7 45.7 -52.9 -49.1 -47.6 17.8 14.6 46 46 A E H X S+ 0 0 52 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.917 112.0 52.2 -64.1 -41.9 -44.6 19.7 16.0 47 47 A Y H X S+ 0 0 96 -4,-2.6 4,-2.0 1,-0.2 6,-0.2 0.935 109.3 48.2 -59.1 -47.8 -46.8 21.7 18.2 48 48 A L H X>S+ 0 0 10 -4,-2.9 5,-2.4 1,-0.2 4,-0.5 0.889 114.8 46.4 -61.2 -42.0 -48.5 18.7 19.7 49 49 A M H ><5S+ 0 0 6 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.933 111.0 49.7 -68.7 -44.3 -45.2 17.0 20.3 50 50 A K H 3<5S+ 0 0 119 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.826 116.5 43.0 -70.2 -27.7 -43.4 20.0 21.9 51 51 A H H 3<5S- 0 0 91 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.414 113.3-112.8 -97.7 0.6 -46.3 20.6 24.3 52 52 A G T <<5 + 0 0 42 -3,-0.9 2,-1.4 -4,-0.5 -3,-0.2 0.688 63.8 147.0 80.7 21.8 -47.0 17.0 25.3 53 53 A H < + 0 0 87 -5,-2.4 -1,-0.2 -6,-0.2 4,-0.1 -0.673 14.4 154.3 -91.6 83.9 -50.4 16.6 23.6 54 54 A E > + 0 0 70 -2,-1.4 3,-1.4 1,-0.2 4,-0.4 0.583 39.9 89.1 -97.2 -14.3 -50.0 12.9 22.7 55 55 A T G > S+ 0 0 83 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.848 79.8 65.6 -56.9 -32.4 -53.5 11.5 22.5 56 56 A P G > S+ 0 0 10 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.818 94.6 61.3 -58.5 -27.7 -53.9 12.3 18.8 57 57 A F G X S+ 0 0 0 -3,-1.4 3,-1.4 1,-0.3 107,-0.9 0.612 83.1 78.7 -76.3 -11.3 -51.1 9.9 18.0 58 58 A E G < S+ 0 0 74 -3,-2.0 -1,-0.3 -4,-0.4 -3,-0.1 0.657 80.5 69.7 -64.6 -16.8 -53.1 7.0 19.5 59 59 A H G < S+ 0 0 106 -3,-1.3 2,-0.5 -4,-0.3 -1,-0.2 0.355 83.7 79.7 -85.4 -0.8 -55.0 7.0 16.2 60 60 A I < - 0 0 0 -3,-1.4 104,-2.2 -41,-0.1 2,-0.4 -0.963 67.9-175.5-105.7 124.5 -52.0 5.6 14.3 61 61 A V E -BC 18 163A 34 -43,-2.1 -43,-2.9 -2,-0.5 2,-0.3 -0.963 10.6-166.8-132.6 141.1 -51.6 1.9 14.9 62 62 A F E -BC 17 162A 0 100,-2.5 100,-2.3 -2,-0.4 2,-0.4 -0.942 9.8-157.1-121.6 146.5 -49.0 -0.8 13.9 63 63 A T E -BC 16 161A 28 -47,-2.7 -48,-3.0 -2,-0.3 -47,-1.7 -0.997 19.6-177.1-121.4 126.7 -48.8 -4.5 13.8 64 64 A F E -BC 14 160A 0 96,-2.8 96,-2.6 -2,-0.4 2,-0.5 -0.850 22.4-144.8-114.3 151.7 -45.4 -6.1 13.9 65 65 A H E -BC 13 159A 26 -52,-2.7 -52,-2.3 -2,-0.3 2,-0.4 -0.994 28.2-171.4-113.8 125.4 -44.2 -9.7 13.7 66 66 A V E -BC 12 158A 0 92,-2.8 92,-2.5 -2,-0.5 2,-0.5 -0.953 21.2-165.0-126.1 134.0 -41.1 -10.2 15.9 67 67 A K E +BC 11 157A 27 -56,-2.5 -56,-1.7 -2,-0.4 90,-0.2 -0.989 35.6 143.4-116.8 118.2 -38.7 -13.1 16.3 68 68 A A E - C 0 156A 0 88,-1.8 88,-2.8 -2,-0.5 -2,-0.0 -0.977 52.8 -88.0-152.1 155.0 -36.6 -12.6 19.5 69 69 A P E >> - C 0 155A 0 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.316 43.7-110.7 -66.2 153.6 -35.1 -14.5 22.3 70 70 A I H 3> S+ 0 0 49 84,-2.4 4,-2.7 1,-0.3 5,-0.2 0.875 117.0 56.9 -53.7 -43.0 -37.3 -15.1 25.4 71 71 A F H 3> S+ 0 0 31 81,-2.1 4,-1.0 1,-0.2 -1,-0.3 0.860 110.6 44.9 -64.4 -27.5 -35.2 -12.8 27.6 72 72 A V H <> S+ 0 0 0 -3,-0.9 4,-2.6 80,-0.3 3,-0.3 0.926 112.7 50.6 -74.7 -46.6 -35.8 -9.9 25.1 73 73 A A H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.871 104.1 59.3 -58.7 -35.6 -39.5 -10.8 24.9 74 74 A R H < S+ 0 0 163 -4,-2.7 4,-0.2 -5,-0.2 -1,-0.2 0.908 111.1 41.2 -60.1 -41.0 -39.8 -10.8 28.7 75 75 A Q H >< S+ 0 0 47 -4,-1.0 3,-1.3 -3,-0.3 -2,-0.2 0.926 115.0 51.0 -72.6 -44.6 -38.7 -7.2 28.7 76 76 A W H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.895 103.0 59.1 -59.9 -42.4 -40.8 -6.2 25.7 77 77 A F T 3< S+ 0 0 60 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.549 84.0 80.6 -73.3 -3.2 -44.0 -7.7 27.1 78 78 A R T < + 0 0 185 -3,-1.3 2,-1.3 -4,-0.2 -1,-0.3 0.671 68.1 95.0 -71.7 -14.9 -43.8 -5.4 30.1 79 79 A H < - 0 0 15 -3,-1.9 -1,-0.1 -4,-0.2 87,-0.0 -0.676 57.4-178.9 -78.4 94.7 -45.3 -2.8 27.8 80 80 A R + 0 0 217 -2,-1.3 2,-1.8 1,-0.2 -1,-0.2 0.652 62.3 79.0 -72.8 -27.7 -48.9 -3.3 28.8 81 81 A I S S+ 0 0 118 -3,-0.1 82,-0.3 85,-0.1 2,-0.3 -0.570 91.0 60.6 -89.0 73.2 -50.5 -0.7 26.5 82 82 A A S S- 0 0 27 -2,-1.8 2,-0.4 80,-0.1 80,-0.2 -0.950 82.3-104.5-178.2 173.0 -50.3 -3.0 23.5 83 83 A S E -D 161 0A 73 78,-2.6 78,-2.2 -2,-0.3 2,-0.3 -0.960 32.0-175.6-125.0 139.0 -51.5 -6.3 22.2 84 84 A Y E -D 160 0A 47 -2,-0.4 2,-0.3 76,-0.2 76,-0.2 -0.983 17.0-179.2-135.1 143.1 -49.5 -9.6 22.0 85 85 A N E -D 159 0A 131 74,-1.8 74,-2.6 -2,-0.3 2,-0.3 -0.953 22.4-175.1-139.0 129.3 -49.9 -13.1 20.7 86 86 A E E -D 158 0A 82 -2,-0.3 72,-0.2 72,-0.2 -2,-0.0 -0.877 32.2 -95.0-126.5 144.8 -47.0 -15.5 21.1 87 87 A L - 0 0 73 70,-2.3 2,-0.5 -2,-0.3 70,-0.0 -0.314 46.1-132.1 -48.6 141.1 -46.0 -19.0 20.2 88 88 A S > - 0 0 31 1,-0.1 4,-1.3 5,-0.1 -1,-0.1 -0.916 20.1-162.0-111.2 130.4 -46.7 -21.4 23.0 89 89 A G T 4 S+ 0 0 7 -2,-0.5 58,-0.2 2,-0.2 5,-0.1 0.517 97.2 57.9 -82.5 -4.6 -44.4 -24.1 24.4 90 90 A R T 4 S+ 0 0 118 54,-0.1 54,-0.4 1,-0.1 -1,-0.2 0.819 118.2 30.0 -80.9 -36.7 -47.5 -25.8 25.9 91 91 A Y T 4 S+ 0 0 165 52,-0.1 2,-0.3 53,-0.1 -2,-0.2 0.547 119.5 46.9-102.9 -13.2 -49.1 -26.2 22.5 92 92 A S S < S- 0 0 49 -4,-1.3 2,-0.4 51,-0.0 -1,-0.1 -0.965 78.7-112.8-131.4 147.7 -46.1 -26.5 20.1 93 93 A K - 0 0 83 -2,-0.3 2,-0.3 -3,-0.0 -3,-0.1 -0.698 47.4-127.1 -69.1 126.5 -42.8 -28.4 19.8 94 94 A L - 0 0 27 -2,-0.4 2,-0.1 -5,-0.1 62,-0.1 -0.623 20.2-116.6 -87.4 142.6 -40.3 -25.6 20.2 95 95 A S - 0 0 81 -2,-0.3 2,-1.5 60,-0.2 60,-0.2 -0.426 21.8-109.7 -80.2 153.2 -37.6 -25.2 17.5 96 96 A Y S S+ 0 0 110 -2,-0.1 2,-0.3 58,-0.1 -1,-0.1 -0.605 71.2 127.8 -81.5 92.5 -33.8 -25.5 18.1 97 97 A E + 0 0 65 -2,-1.5 58,-2.8 58,-0.1 2,-0.3 -0.878 29.3 171.1-154.3 115.9 -32.9 -21.8 17.6 98 98 A F B -E 154 0B 3 -2,-0.3 2,-0.6 56,-0.3 56,-0.2 -0.954 35.8-115.2-130.1 145.5 -30.9 -19.9 20.2 99 99 A Y - 0 0 10 54,-2.5 54,-0.0 -2,-0.3 -92,-0.0 -0.717 30.2-171.7 -78.1 118.1 -29.3 -16.5 20.4 100 100 A I - 0 0 28 -2,-0.6 19,-0.1 23,-0.0 20,-0.0 -0.960 24.7-124.3-112.1 114.9 -25.6 -16.9 20.6 101 101 A P - 0 0 25 0, 0.0 21,-0.1 0, 0.0 5,-0.0 -0.240 23.0-115.4 -56.7 147.4 -23.8 -13.6 21.3 102 102 A S > - 0 0 53 1,-0.1 3,-1.7 17,-0.0 4,-0.3 -0.401 27.4-112.2 -71.2 153.1 -21.1 -12.5 18.9 103 103 A P G > S+ 0 0 34 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.862 119.3 64.8 -57.1 -27.8 -17.6 -12.2 20.4 104 104 A E G > S+ 0 0 110 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.625 80.8 81.7 -65.3 -16.7 -18.0 -8.4 19.9 105 105 A R G < S+ 0 0 56 -3,-1.7 -1,-0.3 1,-0.3 76,-0.1 0.786 92.3 47.9 -59.1 -26.8 -20.8 -8.5 22.4 106 106 A L G X S+ 0 0 42 -3,-1.5 3,-2.0 -4,-0.3 -1,-0.3 0.187 77.1 135.8-102.0 15.9 -18.2 -8.4 25.2 107 107 A E T < S+ 0 0 134 -3,-1.8 3,-0.1 1,-0.2 -3,-0.0 -0.434 71.0 31.2 -67.3 135.5 -16.2 -5.6 23.8 108 108 A G T 3 S+ 0 0 86 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.023 101.4 97.9 102.9 -25.8 -15.3 -3.2 26.7 109 109 A Y < - 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0 0 34 -5,-3.1 -41,-0.1 -6,-0.2 -42,-0.0 -0.392 39.2-170.2 -60.2 133.0 -37.8 11.6 22.7 211 211 A K + 0 0 160 -2,-0.1 -1,-0.1 -42,-0.1 -39,-0.1 0.529 51.4 92.2-103.3 -12.2 -36.0 10.9 26.0 212 212 A G - 0 0 16 -37,-0.1 -36,-0.2 -36,-0.1 -40,-0.1 -0.054 66.9-135.1 -80.3-177.7 -33.4 8.4 25.0 213 213 A D S S+ 0 0 90 -38,-0.2 -37,-0.2 -41,-0.1 -1,-0.1 0.197 86.0 63.2-128.9 18.5 -29.9 8.7 23.9 214 214 A I S S+ 0 0 49 -39,-0.9 2,-0.2 -30,-0.0 -38,-0.1 0.700 73.0 94.0-113.2 -34.6 -29.5 6.4 20.8 215 215 A L 0 0 23 -40,-0.5 -27,-0.0 -44,-0.1 -40,-0.0 -0.547 360.0 360.0 -77.5 140.4 -31.8 7.8 18.0 216 216 A K 0 0 202 -2,-0.2 0, 0.0 -3,-0.0 0, 0.0 -0.057 360.0 360.0 28.1 360.0 -30.3 10.2 15.5