==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-OCT-08 3EVT . COMPND 2 MOLECULE: PHOSPHOGLYCERATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM; . AUTHOR J.B.BONANNO,M.GILMORE,K.T.BAIN,J.DO,P.SAMPATHKUMAR, . 310 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 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 . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 1 2 1 1 1 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 6 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 S 0 0 45 0, 0.0 24,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -40.7 10.2 49.5 61.4 2 3 A L E -ab 25 40A 11 37,-1.6 39,-2.3 22,-0.2 40,-1.4 -0.886 360.0-164.9-113.1 133.9 7.9 49.3 58.4 3 4 A V E -ab 26 42A 0 22,-3.6 24,-2.8 -2,-0.4 2,-0.9 -0.944 19.8-139.8-103.4 129.3 7.2 46.6 55.8 4 5 A L E -ab 27 43A 1 38,-2.8 40,-2.8 -2,-0.5 2,-1.4 -0.795 13.2-154.3 -85.3 109.2 5.3 47.7 52.7 5 6 A M E +ab 28 44A 11 22,-1.9 24,-1.5 -2,-0.9 40,-0.1 -0.633 33.4 153.6 -83.2 81.6 2.9 44.9 52.0 6 7 A A + 0 0 33 38,-1.5 2,-0.3 -2,-1.4 39,-0.3 0.919 60.9 67.9 -76.9 -40.2 2.3 45.3 48.3 7 8 A Q S S- 0 0 37 37,-2.4 37,-0.1 -3,-0.2 22,-0.1 -0.635 93.7-118.9 -74.0 131.7 1.5 41.5 47.8 8 9 A A - 0 0 49 -2,-0.3 2,-0.3 20,-0.0 -2,-0.1 -0.307 30.7-159.1 -63.9 153.2 -1.9 40.6 49.5 9 10 A T - 0 0 23 -4,-0.1 275,-0.0 -2,-0.0 -4,-0.0 -0.979 26.8 -98.4-133.9 149.7 -1.9 38.0 52.4 10 11 A K >> - 0 0 22 -2,-0.3 4,-1.8 1,-0.1 3,-0.9 -0.335 45.3-110.8 -51.6 142.7 -4.4 35.8 54.0 11 12 A P H 3> S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.849 119.2 55.2 -47.5 -31.2 -5.6 37.5 57.2 12 13 A E H 3> S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.799 101.9 53.1 -76.3 -33.3 -3.8 34.7 59.1 13 14 A Q H <> S+ 0 0 24 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.927 110.3 49.4 -63.8 -48.4 -0.4 35.3 57.5 14 15 A L H X S+ 0 0 55 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.912 109.6 52.3 -56.6 -45.8 -0.6 39.0 58.4 15 16 A Q H X S+ 0 0 106 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.943 105.8 52.9 -56.7 -52.9 -1.5 38.0 62.0 16 17 A Q H X S+ 0 0 106 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.906 112.8 46.5 -43.6 -51.1 1.5 35.7 62.4 17 18 A L H X S+ 0 0 6 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.910 110.6 49.7 -63.2 -48.1 3.7 38.6 61.3 18 19 A Q H < S+ 0 0 75 -4,-2.5 6,-0.2 1,-0.2 -1,-0.2 0.856 118.1 39.5 -68.0 -33.6 2.2 41.2 63.5 19 20 A T H < S+ 0 0 98 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.761 114.9 50.5 -83.8 -30.0 2.4 39.0 66.6 20 21 A T H < S+ 0 0 84 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.762 123.7 33.2 -73.6 -25.6 5.8 37.5 65.9 21 22 A Y >< + 0 0 33 -4,-1.8 3,-1.9 -5,-0.2 -1,-0.3 -0.645 67.6 165.3-130.4 75.6 7.1 41.0 65.3 22 23 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.713 77.4 55.8 -74.5 -14.7 5.3 43.4 67.6 23 24 A D T 3 S+ 0 0 129 -3,-0.1 2,-0.3 -4,-0.0 -5,-0.1 0.446 96.8 80.4 -91.5 4.6 7.8 46.2 67.0 24 25 A W < - 0 0 36 -3,-1.9 2,-0.5 -6,-0.2 -22,-0.2 -0.815 69.9-140.3-106.7 147.0 7.3 46.1 63.2 25 26 A T E -a 2 0A 70 -24,-3.1 -22,-3.6 -2,-0.3 2,-1.0 -0.940 6.4-159.0-102.7 124.1 4.5 47.7 61.2 26 27 A F E -a 3 0A 13 -2,-0.5 2,-0.7 -24,-0.2 -22,-0.2 -0.813 21.6-163.0 -98.1 92.8 3.2 45.7 58.3 27 28 A K E -a 4 0A 48 -24,-2.8 -22,-1.9 -2,-1.0 5,-0.1 -0.704 17.9-130.3 -95.6 113.1 1.6 48.4 56.2 28 29 A D E > -a 5 0A 104 -2,-0.7 3,-0.9 -24,-0.2 4,-0.5 -0.239 24.5-126.9 -43.3 127.7 -0.9 47.7 53.4 29 30 A A T 3 S+ 0 0 15 -24,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.676 105.7 62.7 -61.1 -17.7 0.3 49.6 50.3 30 31 A A T 3 S+ 0 0 90 1,-0.2 -1,-0.2 -24,-0.0 -2,-0.1 0.899 105.9 43.5 -70.2 -42.1 -3.2 51.3 50.0 31 32 A A S < S+ 0 0 58 -3,-0.9 -1,-0.2 2,-0.0 -2,-0.2 0.381 88.6 114.7 -89.4 3.4 -2.9 53.0 53.3 32 33 A V - 0 0 24 -4,-0.5 2,-0.3 -3,-0.3 -3,-0.0 -0.157 43.8-170.4 -68.3 170.4 0.7 54.2 53.0 33 34 A T >> - 0 0 60 1,-0.0 3,-1.3 0, 0.0 4,-1.0 -0.960 40.4 -98.0-156.5 167.0 1.5 57.9 52.8 34 35 A A T 34 S+ 0 0 53 -2,-0.3 4,-0.4 1,-0.3 -2,-0.0 0.664 120.4 65.3 -73.4 -11.9 4.6 60.0 52.0 35 36 A A T 34 S+ 0 0 85 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.847 102.6 50.0 -71.3 -33.1 5.2 60.4 55.7 36 37 A D T X> S+ 0 0 26 -3,-1.3 3,-3.9 1,-0.2 4,-0.8 0.859 85.6 92.9 -66.7 -36.8 5.8 56.6 55.7 37 38 A Y G >< S+ 0 0 42 -4,-1.0 3,-0.7 1,-0.3 23,-0.4 0.707 87.4 41.7 -35.7 -52.4 8.3 56.5 52.8 38 39 A D G 34 S+ 0 0 31 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.534 109.7 63.2 -82.2 0.3 11.5 56.8 54.7 39 40 A Q G <4 S+ 0 0 80 -3,-3.9 -37,-1.6 -4,-0.1 2,-0.6 0.726 77.1 100.3 -85.2 -33.0 10.2 54.4 57.3 40 41 A I E << +b 2 0A 1 -4,-0.8 20,-0.4 -3,-0.7 -37,-0.2 -0.443 35.2 161.5 -60.6 107.3 9.8 51.4 54.8 41 42 A E E + 0 0 37 -39,-2.3 21,-3.0 -2,-0.6 22,-1.9 0.702 66.1 33.8-101.0 -20.2 12.8 49.1 55.2 42 43 A V E -bc 3 63A 0 -40,-1.4 -38,-2.8 20,-0.2 2,-0.5 -0.974 62.7-157.6-135.0 146.6 11.3 46.1 53.5 43 44 A M E -bc 4 64A 0 20,-2.0 22,-3.3 -2,-0.3 2,-0.8 -0.988 4.9-158.3-125.4 123.3 8.9 45.6 50.6 44 45 A Y E S+bc 5 65A 2 -40,-2.8 -37,-2.4 -2,-0.5 -38,-1.5 -0.912 75.6 3.3 -97.5 107.2 6.9 42.4 50.2 45 46 A G S S- 0 0 2 20,-3.7 -39,-0.3 -2,-0.8 21,-0.2 0.173 96.5 -80.2 95.7 145.7 6.0 42.4 46.5 46 47 A N + 0 0 86 -40,-0.1 21,-0.0 18,-0.1 3,-0.0 -0.483 56.5 173.9 -74.3 153.1 7.1 44.9 43.8 47 48 A H > - 0 0 48 -2,-0.1 3,-1.5 1,-0.1 4,-0.5 -0.980 47.5-105.8-158.9 154.5 5.2 48.1 43.7 48 49 A P T >> S+ 0 0 107 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.815 115.0 66.6 -56.2 -33.1 5.2 51.6 42.0 49 50 A L H 3> S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.714 79.8 79.3 -62.4 -22.3 6.4 53.1 45.3 50 51 A L H <> S+ 0 0 2 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.969 98.2 43.0 -48.8 -55.2 9.7 51.2 44.8 51 52 A K H <> S+ 0 0 68 -3,-0.7 4,-1.5 -4,-0.5 -1,-0.2 0.929 114.7 48.4 -52.6 -53.6 10.7 54.0 42.3 52 53 A T H >X S+ 0 0 61 -4,-1.0 3,-1.0 1,-0.2 4,-0.8 0.977 113.7 47.0 -53.0 -58.6 9.4 56.9 44.5 53 54 A I H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.3 6,-0.3 0.883 109.5 52.1 -51.2 -49.4 11.2 55.6 47.6 54 55 A L H 3< S+ 0 0 30 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.771 100.7 64.7 -64.8 -25.1 14.5 55.0 45.9 55 56 A A H << S+ 0 0 84 -4,-1.5 -1,-0.3 -3,-1.0 -2,-0.2 0.811 85.3 83.2 -63.7 -32.9 14.5 58.5 44.5 56 57 A R S X< S- 0 0 82 -3,-1.1 3,-2.0 -4,-0.8 -1,-0.0 -0.620 71.5-151.7 -75.8 115.1 14.7 60.0 48.0 57 58 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.556 95.9 60.3 -71.1 4.6 18.3 60.0 49.1 58 59 A T T 3 S+ 0 0 83 -5,-0.1 -4,-0.1 2,-0.0 2,-0.1 0.131 76.9 119.8-109.5 15.3 16.9 59.7 52.7 59 60 A N < - 0 0 30 -3,-2.0 -21,-0.2 -6,-0.3 -20,-0.1 -0.360 51.9-151.4 -76.2 164.7 15.1 56.3 52.2 60 61 A Q + 0 0 86 -23,-0.4 2,-0.2 -20,-0.4 -1,-0.1 -0.114 35.0 154.0-125.2 36.9 16.0 53.3 54.4 61 62 A L + 0 0 6 1,-0.2 -20,-0.2 -8,-0.1 -19,-0.2 -0.490 4.4 158.2 -75.2 133.7 15.1 50.5 52.1 62 63 A K + 0 0 79 -21,-3.0 23,-2.7 1,-0.3 2,-0.4 0.644 57.4 28.0-125.3 -29.9 17.1 47.4 52.8 63 64 A F E -cd 42 85A 0 -22,-1.9 -20,-2.0 21,-0.2 2,-0.5 -0.962 51.9-170.9-145.2 120.9 15.2 44.3 51.4 64 65 A V E -cd 43 86A 1 21,-2.6 23,-1.7 -2,-0.4 2,-0.7 -0.960 6.3-165.5-108.3 124.5 12.8 43.8 48.5 65 66 A Q E -cd 44 87A 1 -22,-3.3 -20,-3.7 -2,-0.5 2,-0.2 -0.917 9.0-160.0-103.9 111.6 11.0 40.4 48.2 66 67 A V - 0 0 4 21,-2.4 5,-0.0 -2,-0.7 -2,-0.0 -0.602 13.1-140.4 -87.3 149.9 9.4 40.0 44.7 67 68 A I S S+ 0 0 49 -2,-0.2 2,-0.3 21,-0.1 21,-0.1 -0.044 78.5 53.3-108.0 33.7 6.6 37.4 44.4 68 69 A S S S- 0 0 66 2,-0.1 21,-0.2 219,-0.0 22,-0.2 -0.952 87.6-111.7-153.9 159.8 7.4 36.0 41.0 69 70 A A S S+ 0 0 59 20,-0.3 2,-0.4 -2,-0.3 21,-0.1 0.718 88.4 96.1 -64.4 -24.0 10.7 34.6 39.5 70 71 A G + 0 0 55 1,-0.1 -2,-0.1 19,-0.1 3,-0.1 -0.584 39.1 170.2 -81.7 123.1 11.2 37.5 37.1 71 72 A V > + 0 0 21 -2,-0.4 3,-0.9 1,-0.1 5,-0.2 0.045 42.2 115.4-108.8 22.2 13.5 40.4 38.2 72 73 A D T 3 S+ 0 0 153 1,-0.2 4,-0.3 3,-0.1 -1,-0.1 0.950 72.5 36.7 -67.6 -57.0 13.6 42.2 34.8 73 74 A Y T 3 S+ 0 0 105 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.247 89.0 120.8 -88.4 22.1 12.0 45.6 35.0 74 75 A L S < S- 0 0 12 -3,-0.9 2,-3.7 1,-0.1 3,-0.2 -0.632 81.0-107.0 -85.0 138.4 13.4 46.1 38.5 75 76 A P > + 0 0 53 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.256 50.4 172.7 -67.2 74.5 15.6 49.1 39.0 76 77 A L H > S+ 0 0 99 -2,-3.7 4,-2.3 -4,-0.3 5,-0.2 0.855 70.2 48.4 -50.9 -48.8 18.6 46.8 39.3 77 78 A K H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 111.9 48.1 -65.3 -43.7 21.3 49.6 39.3 78 79 A A H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 6,-0.2 0.949 111.5 51.5 -57.5 -48.0 19.5 51.7 42.0 79 80 A L H <>S+ 0 0 6 -4,-2.4 5,-2.7 1,-0.2 4,-0.4 0.918 112.8 44.4 -57.6 -47.5 19.0 48.6 44.2 80 81 A Q H ><5S+ 0 0 156 -4,-2.3 3,-1.3 -5,-0.2 -1,-0.2 0.931 113.0 52.0 -62.6 -43.3 22.6 47.7 44.1 81 82 A A H 3<5S+ 0 0 89 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.876 112.9 44.1 -65.9 -32.9 23.7 51.3 44.6 82 83 A A T 3<5S- 0 0 54 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.490 115.2-118.0 -89.8 0.3 21.6 51.6 47.6 83 84 A G T < 5 + 0 0 56 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.739 54.2 164.0 72.0 21.8 22.7 48.2 48.9 84 85 A V < - 0 0 12 -5,-2.7 2,-0.3 -6,-0.2 -21,-0.2 -0.582 30.8-139.8 -74.7 129.4 19.2 46.7 48.8 85 86 A V E -d 63 0A 34 -23,-2.7 -21,-2.6 -2,-0.3 2,-0.4 -0.700 20.1-164.5 -84.0 142.8 19.0 42.9 49.0 86 87 A V E -d 64 0A 15 223,-0.5 223,-2.8 -2,-0.3 2,-0.3 -0.982 11.0-178.6-129.5 140.7 16.4 41.2 46.7 87 88 A A E -dE 65 308A 0 -23,-1.7 -21,-2.4 -2,-0.4 221,-0.2 -0.941 7.1-164.9-130.3 157.0 14.9 37.7 46.7 88 89 A N - 0 0 18 219,-1.6 -19,-0.2 -2,-0.3 -21,-0.1 -0.400 31.1-100.2-123.0-161.6 12.4 36.1 44.3 89 90 A T > + 0 0 15 -21,-0.2 3,-0.6 -2,-0.2 -20,-0.3 -0.143 61.4 137.6-122.8 35.0 10.1 33.0 44.3 90 91 A S T 3 + 0 0 48 -22,-0.2 -2,-0.0 1,-0.2 217,-0.0 -0.278 52.9 37.8 -75.3 167.0 11.9 30.4 42.1 91 92 A G T 3> S+ 0 0 15 1,-0.1 4,-3.1 3,-0.0 -1,-0.2 0.456 70.8 125.8 82.8 1.8 12.2 26.7 42.8 92 93 A I H <> S+ 0 0 34 -3,-0.6 4,-1.9 2,-0.2 5,-0.1 0.948 78.3 36.4 -63.9 -53.6 8.8 26.1 44.3 93 94 A H H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.949 118.8 51.1 -62.3 -51.8 7.5 23.3 42.0 94 95 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.877 107.8 54.2 -55.8 -41.4 11.0 21.7 41.8 95 96 A D H X S+ 0 0 41 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.903 108.6 48.3 -54.9 -47.3 11.3 21.8 45.7 96 97 A A H X S+ 0 0 27 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.921 111.4 48.8 -62.2 -46.5 8.0 19.9 46.1 97 98 A I H X S+ 0 0 20 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.887 110.0 52.5 -62.6 -37.9 9.0 17.2 43.6 98 99 A S H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.930 106.0 53.4 -62.9 -44.0 12.3 16.8 45.3 99 100 A E H X S+ 0 0 122 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.891 105.9 54.9 -55.6 -41.9 10.6 16.3 48.7 100 101 A S H X S+ 0 0 44 -4,-2.0 4,-2.0 177,-0.3 -1,-0.2 0.889 108.4 48.0 -56.8 -41.5 8.5 13.5 47.1 101 102 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.945 111.8 48.4 -66.3 -45.0 11.6 11.7 46.0 102 103 A L H X S+ 0 0 18 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.907 111.0 53.8 -58.7 -37.8 13.2 12.1 49.4 103 104 A A H X S+ 0 0 57 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.884 107.8 48.1 -64.9 -42.5 9.9 10.8 50.9 104 105 A A H X S+ 0 0 14 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.926 116.6 43.2 -63.1 -44.5 10.0 7.7 48.7 105 106 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.921 117.0 45.1 -71.5 -48.3 13.6 7.0 49.6 106 107 A L H X S+ 0 0 67 -4,-3.4 4,-2.5 -5,-0.2 6,-0.4 0.893 108.1 55.1 -64.1 -41.8 13.3 7.7 53.4 107 108 A S H <>S+ 0 0 39 -4,-2.3 6,-2.1 -5,-0.3 5,-1.2 0.888 114.6 43.1 -65.1 -31.3 10.1 5.8 53.9 108 109 A V H ><5S+ 0 0 23 -4,-1.3 3,-1.3 -5,-0.2 6,-0.3 0.984 119.5 37.5 -69.6 -61.9 11.8 2.8 52.4 109 110 A V H 3<5S+ 0 0 10 -4,-2.6 23,-2.1 1,-0.3 -3,-0.2 0.776 116.4 51.8 -70.8 -28.0 15.2 2.9 54.1 110 111 A R T 3<5S- 0 0 113 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 0.485 116.7-114.9 -86.6 2.1 13.9 4.1 57.5 111 112 A G T <>5S+ 0 0 3 -3,-1.3 4,-3.2 -5,-0.2 -3,-0.2 0.565 76.2 128.5 87.6 10.9 11.4 1.2 57.5 112 113 A Y H > S+ 0 0 43 -6,-2.1 4,-2.0 1,-0.2 5,-0.2 0.963 116.8 42.5 -65.9 -50.9 6.9 1.0 54.3 114 115 A A H > S+ 0 0 19 -7,-0.3 4,-2.2 -6,-0.3 -2,-0.2 0.898 112.2 55.7 -57.6 -42.4 7.9 -2.2 56.0 115 116 A A H X S+ 0 0 32 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.879 106.5 51.1 -57.2 -39.3 6.5 -1.0 59.3 116 117 A W H X S+ 0 0 126 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 108.1 49.6 -65.4 -44.0 3.2 -0.4 57.7 117 118 A L H < S+ 0 0 67 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.889 113.3 49.3 -60.3 -37.3 3.1 -3.9 56.2 118 119 A N H ><>S+ 0 0 33 -4,-2.2 5,-2.6 1,-0.2 3,-1.5 0.924 109.6 50.4 -64.0 -46.4 3.9 -5.1 59.7 119 120 A Q H 3<5S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.795 116.0 41.6 -62.7 -33.2 1.1 -3.0 61.2 120 121 A R T 3<5S+ 0 0 155 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.244 127.9 35.4 -92.6 11.7 -1.4 -4.4 58.7 121 122 A G T < 5S- 0 0 44 -3,-1.5 -3,-0.2 -5,-0.2 -4,-0.0 0.002 127.3 -19.8-131.1-127.5 0.2 -7.8 59.2 122 123 A A T 5 - 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0 0 65 -2,-0.3 -27,-0.0 2,-0.3 4,-0.0 -0.846 12.6-131.8-114.9 155.5 20.3 5.9 56.0 134 135 A L S > S+ 0 0 8 -2,-0.3 3,-2.7 2,-0.1 -1,-0.1 0.873 84.9 96.8 -63.8 -39.2 20.5 8.2 53.0 135 136 A T T 3 S+ 0 0 83 1,-0.3 -2,-0.3 25,-0.1 25,-0.2 -0.250 93.4 16.5 -54.5 129.2 23.7 9.6 54.4 136 137 A G T 3 S+ 0 0 65 23,-2.2 -1,-0.3 1,-0.3 24,-0.1 0.372 102.3 114.2 92.6 -8.9 26.6 7.9 52.7 137 138 A Q < - 0 0 33 -3,-2.7 24,-3.3 55,-0.0 2,-0.5 -0.472 65.1-111.2 -99.1 166.7 24.6 6.4 49.8 138 139 A Q E -f 161 0B 53 52,-0.3 55,-1.9 22,-0.2 54,-1.7 -0.871 22.9-166.6-102.8 127.9 24.7 7.1 46.0 139 140 A L E -fg 162 193B 0 22,-3.0 24,-2.7 -2,-0.5 2,-0.6 -0.956 2.5-164.4-110.6 121.5 21.9 8.8 44.2 140 141 A L E -fg 163 194B 1 53,-3.3 55,-3.0 -2,-0.5 2,-0.5 -0.918 10.1-171.1-103.8 117.0 22.0 8.6 40.3 141 142 A I E -fg 164 195B 0 22,-3.3 24,-2.7 -2,-0.6 2,-0.7 -0.940 15.6-151.5-114.5 126.6 19.6 11.2 38.7 142 143 A Y E S+fg 165 196B 3 53,-2.5 55,-2.3 -2,-0.5 24,-0.1 -0.857 77.0 43.9 -90.4 113.6 18.8 11.3 34.9 143 144 A G - 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