==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-JUN-08 3DC2 . COMPND 2 MOLECULE: D-3-PHOSPHOGLYCERATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.DEY,J.C.SACCHETTINI . 1051 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 766 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 95 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.0 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 2 1 5 6 1 2 2 6 1 1 0 1 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 7 8 4 0 2 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 . 2 0 1 1 0 7 2 2 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 2 0 4 2 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 4 A L 0 0 146 0, 0.0 22,-0.2 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 119.7 63.0 37.5 29.1 2 5 A P - 0 0 41 0, 0.0 21,-3.3 0, 0.0 2,-0.5 0.026 360.0-134.5 -50.7 143.7 59.2 38.4 29.4 3 6 A V E -a 23 0A 11 38,-0.2 40,-2.5 19,-0.2 41,-1.6 -0.892 14.8-167.8-106.4 129.0 56.6 35.7 28.6 4 7 A V E -ab 24 44A 0 19,-2.1 21,-2.1 -2,-0.5 2,-0.7 -0.935 9.3-156.8-115.2 107.9 53.6 36.4 26.4 5 8 A L E -ab 25 45A 3 39,-2.8 41,-2.6 -2,-0.6 2,-0.7 -0.773 2.2-162.8 -90.0 114.3 50.9 33.6 26.6 6 9 A I E +ab 26 46A 0 19,-3.2 21,-2.3 -2,-0.7 41,-0.2 -0.854 13.2 174.2 -94.5 113.9 48.7 33.5 23.5 7 10 A A + 0 0 0 39,-2.7 22,-1.4 -2,-0.7 2,-0.3 0.338 55.6 55.0-109.3 6.6 45.6 31.5 24.5 8 11 A D S S- 0 0 12 38,-0.4 2,-1.7 21,-0.1 19,-0.1 -0.904 103.6 -70.8-134.7 165.9 43.5 31.9 21.4 9 12 A K S S+ 0 0 159 -2,-0.3 2,-0.4 17,-0.0 -2,-0.1 -0.340 73.1 142.8 -57.7 81.5 43.8 31.3 17.6 10 13 A L - 0 0 12 -2,-1.7 5,-0.1 36,-0.1 -2,-0.1 -0.979 48.4-124.4-130.6 118.2 46.3 34.1 16.7 11 14 A A - 0 0 43 -2,-0.4 4,-0.4 1,-0.1 5,-0.1 -0.293 13.7-129.8 -66.8 141.7 49.1 33.6 14.1 12 15 A P S > S+ 0 0 81 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.863 114.7 51.5 -54.8 -40.3 52.7 34.3 15.2 13 16 A S G > S+ 0 0 91 1,-0.2 3,-2.2 2,-0.2 4,-0.3 0.966 101.7 61.8 -55.9 -51.3 53.1 36.5 12.1 14 17 A T G 3 S+ 0 0 8 1,-0.3 280,-0.3 2,-0.1 -1,-0.2 0.675 114.4 34.1 -50.5 -13.5 49.9 38.2 13.3 15 18 A V G X S+ 0 0 5 -3,-1.1 3,-2.3 -4,-0.4 -1,-0.3 0.276 73.6 120.6-131.9 16.1 51.9 39.2 16.4 16 19 A A T < + 0 0 75 -3,-2.2 -2,-0.1 1,-0.3 -3,-0.1 0.603 60.3 84.6 -51.8 -14.6 55.5 39.7 15.1 17 20 A A T 3 + 0 0 38 -4,-0.3 2,-1.1 -3,-0.1 -1,-0.3 0.758 66.2 86.5 -62.8 -26.2 55.1 43.3 16.5 18 21 A L S < S- 0 0 11 -3,-2.3 4,-0.2 1,-0.1 277,-0.1 -0.710 90.9-134.5 -71.4 102.0 56.2 42.0 19.9 19 22 A G > - 0 0 39 -2,-1.1 3,-0.6 1,-0.2 -1,-0.1 0.395 29.9 -83.3 -45.1-165.4 59.9 42.4 19.1 20 23 A D T 3 S+ 0 0 138 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.076 109.6 94.5 -94.7 29.1 62.4 39.6 19.9 21 24 A Q T 3 S+ 0 0 127 -20,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.352 80.7 61.9 -93.3 1.7 62.6 40.9 23.5 22 25 A V S < S- 0 0 24 -3,-0.6 2,-0.7 -4,-0.2 -19,-0.2 -0.940 75.3-130.0-134.8 149.9 60.0 38.4 24.6 23 26 A E E -a 3 0A 89 -21,-3.3 -19,-2.1 -2,-0.3 2,-0.5 -0.905 31.5-159.7-100.0 114.5 59.4 34.6 24.7 24 27 A V E +a 4 0A 49 -2,-0.7 2,-0.3 -21,-0.2 -19,-0.2 -0.845 14.8 172.4-101.3 125.0 56.0 34.0 23.1 25 28 A R E -a 5 0A 70 -21,-2.1 -19,-3.2 -2,-0.5 2,-0.3 -0.876 20.4-136.0-127.7 161.7 54.1 30.7 23.8 26 29 A W E -a 6 0A 114 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.792 17.0-177.2-110.1 157.2 50.6 29.4 22.9 27 30 A V - 0 0 26 -21,-2.3 2,-1.8 -2,-0.3 8,-0.0 -0.985 40.6-105.1-145.5 155.2 48.0 27.6 25.0 28 31 A D > - 0 0 79 -2,-0.3 3,-2.3 1,-0.2 7,-0.5 -0.587 42.3-171.0 -79.4 85.1 44.6 26.1 24.3 29 32 A G T 3 S+ 0 0 0 -2,-1.8 23,-0.3 -22,-1.4 6,-0.2 0.790 76.2 57.0 -49.6 -51.7 42.7 28.9 26.1 30 33 A P T 3 S+ 0 0 69 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 0.461 89.9 88.2 -64.8 3.9 39.2 27.5 26.1 31 34 A D <> - 0 0 48 -3,-2.3 4,-2.9 1,-0.2 3,-0.5 -0.844 66.0-165.5-101.9 99.2 40.7 24.5 27.9 32 35 A R H > S+ 0 0 66 -2,-0.8 4,-2.9 1,-0.3 5,-0.4 0.899 84.4 50.0 -52.2 -55.1 40.5 25.5 31.6 33 36 A D H > S+ 0 0 137 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.880 116.8 42.4 -50.9 -42.7 42.9 22.9 33.0 34 37 A K H > S+ 0 0 116 -3,-0.5 4,-2.1 -6,-0.2 3,-0.3 0.975 114.9 48.7 -72.1 -53.9 45.5 23.8 30.3 35 38 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 -7,-0.5 -2,-0.2 0.910 110.3 50.2 -44.2 -59.1 45.1 27.5 30.6 36 39 A L H < S+ 0 0 33 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 112.6 48.7 -55.0 -36.3 45.3 27.6 34.4 37 40 A A H < S+ 0 0 77 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.871 114.4 46.6 -71.0 -35.7 48.4 25.5 34.2 38 41 A A H >< S+ 0 0 30 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.835 99.9 65.2 -77.0 -32.4 49.9 27.8 31.6 39 42 A V G >< S+ 0 0 2 -4,-2.3 3,-2.9 1,-0.2 24,-0.2 0.771 72.2 88.2 -72.0 -31.1 49.2 31.3 33.1 40 43 A P G 3 S+ 0 0 62 0, 0.0 23,-0.4 0, 0.0 -1,-0.2 0.756 98.5 34.5 -42.1 -37.5 51.4 31.3 36.2 41 44 A E G < S+ 0 0 106 -3,-0.8 2,-0.4 21,-0.1 -38,-0.2 0.172 89.3 122.3-107.8 23.9 54.6 32.6 34.4 42 45 A A < - 0 0 1 -3,-2.9 21,-0.2 1,-0.2 -38,-0.2 -0.673 37.6-176.2 -82.0 127.4 52.9 34.9 31.9 43 46 A D S S+ 0 0 11 -40,-2.5 22,-2.4 -2,-0.4 23,-0.9 0.685 81.2 22.5 -83.8 -20.4 53.8 38.5 32.0 44 47 A A E -bc 4 66A 0 -41,-1.6 -39,-2.8 20,-0.2 2,-0.4 -0.985 66.5-154.5-148.1 146.4 51.2 39.1 29.3 45 48 A L E -bc 5 67A 2 21,-2.6 23,-3.6 -2,-0.3 2,-0.5 -0.962 5.3-167.8-133.2 117.0 48.1 37.3 28.1 46 49 A L E +bc 6 68A 0 -41,-2.6 -39,-2.7 -2,-0.4 -38,-0.4 -0.899 18.7 166.7-101.4 131.1 46.6 37.6 24.5 47 50 A V E - c 0 69A 0 21,-2.5 23,-2.8 -2,-0.5 -39,-0.0 -0.915 25.9-161.8-136.6 163.1 43.2 36.3 24.0 48 51 A R - 0 0 72 -2,-0.3 28,-0.2 21,-0.2 -1,-0.2 0.668 60.8 -71.5-110.7 -79.8 40.5 36.5 21.3 49 52 A S S S+ 0 0 65 26,-0.1 22,-0.0 20,-0.0 -41,-0.0 0.427 116.9 74.6-153.0 -12.5 37.1 35.6 22.5 50 53 A A S S+ 0 0 57 2,-0.0 2,-0.3 -41,-0.0 -42,-0.1 0.890 88.0 70.4 -74.1 -38.8 37.1 31.9 23.1 51 54 A T S S- 0 0 0 -20,-0.0 2,-0.7 1,-0.0 -22,-0.1 -0.558 75.7-145.5 -78.1 136.5 39.1 32.2 26.3 52 55 A T - 0 0 60 -23,-0.3 2,-1.0 -2,-0.3 25,-0.2 -0.915 4.2-151.1-104.3 116.6 37.4 33.7 29.3 53 56 A V B +f 77 0B 2 23,-2.7 25,-2.0 -2,-0.7 2,-0.1 -0.798 36.2 175.6 -93.8 104.9 39.8 35.7 31.4 54 57 A D > - 0 0 66 -2,-1.0 4,-2.0 23,-0.2 5,-0.2 -0.209 50.3 -95.1-107.3 172.8 38.1 35.2 34.7 55 58 A A H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.974 127.2 50.5 -53.6 -55.0 38.5 36.0 38.4 56 59 A E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.920 108.1 52.3 -50.3 -50.7 40.1 32.5 38.7 57 60 A V H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.956 108.8 48.2 -52.6 -56.6 42.5 33.1 35.8 58 61 A L H < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 6,-0.2 0.809 111.4 50.6 -56.8 -33.2 43.9 36.4 37.2 59 62 A A H < S+ 0 0 66 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.840 108.3 52.1 -77.6 -31.8 44.5 34.9 40.6 60 63 A A H < S+ 0 0 30 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.745 105.4 64.6 -69.0 -17.4 46.3 32.0 39.0 61 64 A A >< + 0 0 0 -4,-1.1 3,-1.3 -5,-0.2 -1,-0.2 -0.572 54.6 159.7-113.3 77.3 48.4 34.7 37.2 62 65 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.566 73.3 53.4 -79.2 -5.9 50.4 36.6 39.7 63 66 A K T 3 S+ 0 0 110 -23,-0.4 -22,-0.1 -24,-0.2 -2,-0.1 0.489 82.4 133.3-100.7 1.0 53.1 37.9 37.4 64 67 A L < + 0 0 15 -3,-1.3 -20,-0.2 -6,-0.2 -21,-0.2 -0.086 22.0 162.4 -65.2 140.5 50.6 39.4 34.9 65 68 A K + 0 0 99 -22,-2.4 23,-1.7 1,-0.4 2,-0.4 0.694 66.5 20.7-123.2 -33.2 50.9 42.9 33.5 66 69 A I E -cd 44 88A 1 -23,-0.9 -21,-2.6 21,-0.2 2,-0.6 -0.985 49.3-167.1-145.4 120.6 48.6 43.1 30.4 67 70 A V E -cd 45 89A 1 21,-1.9 23,-1.9 -2,-0.4 2,-0.5 -0.978 25.7-162.8-101.1 123.7 45.7 41.0 29.4 68 71 A A E -cd 46 90A 0 -23,-3.6 -21,-2.5 -2,-0.6 2,-0.7 -0.928 11.6-150.9-115.0 130.6 45.1 42.0 25.7 69 72 A R E -c 47 0A 34 21,-2.5 2,-2.0 -2,-0.5 23,-0.3 -0.850 9.1-147.4-100.5 112.4 42.0 41.4 23.7 70 73 A A S S+ 0 0 2 -23,-2.8 2,-0.3 -2,-0.7 220,-0.2 -0.554 77.7 41.9 -71.0 84.1 42.4 41.0 20.0 71 74 A G S S- 0 0 7 -2,-2.0 21,-2.9 218,-0.3 -2,-0.1 -0.982 91.1 -94.6 165.3-178.2 39.0 42.5 19.3 72 75 A V S S+ 0 0 58 -2,-0.3 -1,-0.1 19,-0.2 -3,-0.1 0.775 92.4 78.3 -97.4 -35.9 36.5 45.3 20.2 73 76 A G - 0 0 27 1,-0.1 19,-0.1 -3,-0.1 3,-0.0 -0.227 50.7-169.7 -75.6 163.8 34.4 43.4 22.7 74 77 A L > + 0 0 21 17,-0.1 3,-2.9 1,-0.0 5,-0.2 0.353 51.9 113.3-127.8 3.4 35.2 42.7 26.3 75 78 A D T 3 S+ 0 0 152 1,-0.3 -26,-0.1 3,-0.1 -1,-0.0 0.729 77.4 57.5 -55.0 -25.5 32.5 40.3 27.4 76 79 A N T 3 S+ 0 0 17 -28,-0.2 -23,-2.7 -24,-0.1 2,-0.4 0.255 101.9 71.9 -86.2 11.7 35.1 37.5 27.8 77 80 A V B < -f 53 0B 16 -3,-2.9 2,-1.1 -25,-0.2 -23,-0.2 -0.992 67.1-148.6-134.0 133.5 37.0 39.6 30.3 78 81 A D > + 0 0 68 -25,-2.0 4,-1.8 -2,-0.4 3,-0.2 -0.772 24.5 174.7 -96.9 87.0 36.3 40.7 33.9 79 82 A V H > S+ 0 0 5 -2,-1.1 4,-3.7 2,-0.2 5,-0.3 0.962 73.6 59.9 -56.1 -61.2 38.1 44.0 33.9 80 83 A D H > S+ 0 0 125 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.853 108.5 49.3 -37.4 -41.0 37.1 45.1 37.4 81 84 A A H > S+ 0 0 23 2,-0.2 4,-0.9 -3,-0.2 -1,-0.3 0.950 111.9 45.4 -66.9 -48.8 38.9 42.0 38.5 82 85 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.8 1,-0.2 3,-0.8 0.920 110.7 55.8 -59.9 -41.8 42.0 42.8 36.5 83 86 A T H ><5S+ 0 0 55 -4,-3.7 3,-1.3 1,-0.3 -1,-0.2 0.904 106.7 49.8 -54.0 -43.8 41.8 46.5 37.7 84 87 A A H 3<5S+ 0 0 88 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.646 110.1 50.0 -77.0 -14.9 41.9 45.3 41.3 85 88 A R T <<5S- 0 0 108 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.320 118.2-109.4-100.5 10.2 44.9 43.1 40.7 86 89 A G T < 5S+ 0 0 34 -3,-1.3 2,-0.7 -4,-0.3 -3,-0.2 0.641 70.2 145.6 73.3 16.3 46.9 45.9 39.0 87 90 A V < - 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0 0 49 -5,-1.7 2,-1.5 662,-0.1 -1,-0.3 -0.980 55.8-139.8-126.9 138.7 13.5 29.8 -11.9 127 130 A W + 0 0 60 -2,-0.4 3,-0.4 1,-0.1 2,-0.1 -0.625 38.8 156.3 -88.7 76.3 13.8 33.0 -14.0 128 131 A K >> + 0 0 108 -2,-1.5 3,-1.1 1,-0.2 4,-0.5 -0.173 20.0 131.9 -97.2 44.5 11.8 35.3 -11.7 129 132 A R G >4 + 0 0 73 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.811 65.0 61.9 -58.1 -36.0 13.5 38.5 -13.0 130 133 A S G 34 S+ 0 0 111 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.639 96.2 60.5 -67.8 -16.6 10.1 40.3 -13.4 131 134 A S G <4 S+ 0 0 84 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.748 88.8 85.6 -88.6 -24.2 9.2 40.0 -9.8 132 135 A F << + 0 0 30 -3,-0.7 2,-0.2 -4,-0.5 -18,-0.0 -0.378 44.5 172.1 -83.2 155.2 12.2 42.0 -8.4 133 136 A S - 0 0 53 -2,-0.1 676,-0.2 -21,-0.1 2,-0.2 -0.790 12.3-166.6-161.9 113.5 12.4 45.8 -8.0 134 137 A G B -g 809 0C 3 674,-2.7 676,-1.0 -2,-0.2 2,-0.5 -0.456 21.7-112.1-101.0 176.3 15.4 47.4 -6.3 135 138 A T - 0 0 7 -23,-1.8 2,-0.1 674,-0.2 -23,-0.1 -0.934 24.3-134.9-118.2 129.9 15.9 50.9 -5.0 136 139 A E - 0 0 19 -2,-0.5 490,-0.1 1,-0.1 674,-0.0 -0.488 9.1-159.0 -84.9 155.5 18.4 53.3 -6.6 137 140 A I > + 0 0 0 488,-0.1 3,-2.8 -2,-0.1 -1,-0.1 0.802 53.2 107.8-106.5 -41.5 20.7 55.3 -4.3 138 141 A F T 3 S+ 0 0 71 1,-0.3 25,-0.2 25,-0.1 24,-0.2 -0.074 95.4 6.4 -41.5 131.7 22.0 58.2 -6.4 139 142 A G T 3 S+ 0 0 38 23,-3.3 -1,-0.3 1,-0.2 24,-0.2 0.413 100.9 124.1 75.1 -3.7 20.3 61.5 -5.2 140 143 A K < - 0 0 35 -3,-2.8 24,-2.4 22,-0.1 2,-0.4 -0.450 64.7-111.5 -85.8 162.8 18.6 59.8 -2.2 141 144 A T E -h 164 0D 25 22,-0.2 54,-2.5 52,-0.2 55,-2.0 -0.806 26.2-157.8 -94.4 133.0 19.1 61.0 1.4 142 145 A V E -hi 165 196D 1 22,-3.8 24,-2.1 -2,-0.4 2,-0.5 -0.955 1.7-155.3-114.6 128.4 20.9 58.9 3.8 143 146 A G E -hi 166 197D 0 53,-3.8 55,-2.5 -2,-0.5 2,-0.6 -0.853 4.9-164.9-101.1 122.4 20.5 59.2 7.5 144 147 A V E -hi 167 198D 0 22,-2.2 24,-2.1 -2,-0.5 2,-0.8 -0.955 5.7-157.3-108.4 117.2 23.3 58.1 9.7 145 148 A V E S+hi 168 199D 0 53,-2.0 55,-3.9 -2,-0.6 24,-0.2 -0.835 74.8 20.3 -97.5 107.7 22.3 57.7 13.3 146 149 A G - 0 0 2 22,-2.8 23,-0.2 -2,-0.8 -1,-0.1 0.549 68.6-149.7 97.3 107.7 25.5 57.9 15.4 147 150 A L + 0 0 0 4,-0.1 -1,-0.1 21,-0.1 54,-0.1 -0.260 48.5 128.4-107.6 44.4 28.5 59.6 13.8 148 151 A G S > S- 0 0 10 52,-0.5 4,-2.7 -2,-0.1 5,-0.2 0.009 81.9 -63.8 -79.3-159.3 31.4 57.7 15.4 149 152 A R H > S+ 0 0 92 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 136.0 43.0 -58.1 -55.6 34.2 56.2 13.4 150 153 A I H > S+ 0 0 44 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.949 114.5 50.3 -57.4 -53.5 32.1 53.6 11.5 151 154 A G H > S+ 0 0 1 49,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.892 110.4 50.5 -51.1 -38.8 29.2 56.0 10.8 152 155 A Q H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.917 112.2 48.4 -72.9 -34.4 31.7 58.6 9.5 153 156 A L H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.957 111.7 47.2 -58.7 -57.9 33.2 55.8 7.3 154 157 A V H X S+ 0 0 2 -4,-3.3 4,-2.6 1,-0.2 5,-0.4 0.944 110.7 55.8 -51.6 -44.3 29.8 54.7 6.0 155 158 A A H X S+ 0 0 4 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.926 107.0 47.0 -60.3 -43.5 29.1 58.4 5.5 156 159 A Q H X S+ 0 0 105 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.935 115.9 46.1 -59.9 -42.8 32.1 58.8 3.2 157 160 A R H >X S+ 0 0 3 -4,-2.7 3,-0.9 1,-0.2 4,-0.6 0.981 113.0 45.8 -66.9 -55.5 31.3 55.7 1.2 158 161 A I H ><>S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 5,-1.0 0.838 106.4 62.3 -54.6 -30.0 27.6 56.3 0.7 159 162 A A H ><5S+ 0 0 45 -4,-1.7 3,-1.8 -5,-0.4 4,-0.3 0.887 94.7 60.3 -67.6 -34.8 28.4 59.9 -0.3 160 163 A A H <<5S+ 0 0 33 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.630 92.9 66.4 -67.2 -17.2 30.4 58.8 -3.3 161 164 A F T <<5S- 0 0 0 -3,-1.3 -1,-0.3 -4,-0.6 -22,-0.2 0.299 125.0-105.1 -77.0 10.9 27.3 57.1 -4.6 162 165 A G T < 5S+ 0 0 28 -3,-1.8 -23,-3.3 1,-0.2 2,-0.3 0.859 75.3 142.9 65.5 34.8 26.0 60.6 -4.9 163 166 A A < - 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