==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAR-08 3CGW . COMPND 2 MOLECULE: LPPG:FO 2-PHOSPHO-L-LACTATE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI GO1; . AUTHOR F.FOROUHAR,M.ABASHIDZE,J.SEETHARAMAN,S.M.VOROBIEV,M.CIAO, . 303 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.6 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 . 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 . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.3 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 3 1 1 2 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 5 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 . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 1 A X 0 0 19 0, 0.0 26,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 166.0 65.9 94.3 13.0 2 2 A I E -ab 27 187A 2 184,-2.4 186,-2.0 24,-0.2 2,-0.5 -0.891 360.0-163.5-109.3 135.3 65.4 91.2 15.1 3 3 A I E -ab 28 188A 0 24,-2.2 26,-2.6 -2,-0.4 2,-0.6 -0.975 12.1-147.4-123.7 119.1 63.2 91.2 18.2 4 4 A F E +ab 29 189A 0 184,-3.3 186,-2.2 -2,-0.5 2,-0.3 -0.735 36.3 178.3 -80.7 119.4 63.3 88.5 20.9 5 5 A S E +a 30 0A 1 24,-2.6 26,-1.4 -2,-0.6 2,-0.3 -0.877 18.4 119.8-131.1 163.4 59.8 88.2 22.1 6 6 A G > + 0 0 2 -2,-0.3 4,-0.6 24,-0.2 3,-0.4 -0.971 53.2 37.7 171.3-174.7 57.5 86.4 24.5 7 7 A G T 4 S- 0 0 14 -2,-0.3 185,-0.1 1,-0.2 42,-0.0 -0.154 106.2 -64.0 47.6-136.1 55.2 86.9 27.5 8 8 A T T 4 S+ 0 0 70 183,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.461 118.3 73.7-126.1 -6.9 53.3 90.1 27.2 9 9 A G T >> S+ 0 0 18 -3,-0.4 4,-1.1 2,-0.1 3,-1.1 0.993 97.9 42.5 -70.8 -62.7 55.9 92.9 27.4 10 10 A T H >X S+ 0 0 0 -4,-0.6 4,-2.4 1,-0.3 3,-0.7 0.881 107.9 57.0 -52.1 -53.8 57.5 92.6 23.9 11 11 A P H 3> S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.744 106.2 54.7 -56.3 -18.7 54.3 92.1 21.8 12 12 A K H <4 S+ 0 0 49 -3,-1.1 4,-0.3 -4,-0.3 -2,-0.2 0.881 109.0 45.2 -80.7 -37.6 53.2 95.4 23.3 13 13 A L H XX S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.7 3,-0.5 0.755 109.6 57.7 -73.9 -27.0 56.4 97.2 22.2 14 14 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.977 92.7 65.4 -67.4 -52.6 56.0 95.5 18.8 15 15 A D H 3< S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.724 114.6 34.8 -40.8 -22.9 52.5 97.0 18.3 16 16 A G H X4 S+ 0 0 0 -3,-0.5 3,-0.8 -4,-0.3 -1,-0.3 0.765 111.5 58.9-102.4 -33.3 54.4 100.3 18.3 17 17 A L H >X S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.3 4,-0.9 0.867 100.7 59.1 -62.4 -36.5 57.5 99.1 16.5 18 18 A K T 3< S+ 0 0 27 -4,-3.1 -1,-0.3 1,-0.3 5,-0.2 0.746 102.8 52.7 -65.7 -24.2 55.4 98.1 13.6 19 19 A E T <4 S+ 0 0 101 -3,-0.8 -1,-0.3 -5,-0.4 -2,-0.2 0.268 107.4 54.0 -95.3 13.4 54.2 101.7 13.2 20 20 A I T <4 S+ 0 0 49 -3,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.577 114.7 17.0-118.7 -18.8 57.7 103.0 13.1 21 21 A L S < S- 0 0 34 -4,-0.9 -1,-0.3 -3,-0.1 5,-0.1 -0.993 94.2 -72.3-153.0 155.0 59.4 101.0 10.3 22 22 A P > - 0 0 63 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.210 39.3-130.6 -51.5 127.7 58.4 98.8 7.3 23 23 A E G > S+ 0 0 44 1,-0.3 3,-2.6 2,-0.2 102,-0.4 0.861 102.7 67.9 -46.2 -44.4 57.1 95.4 8.4 24 24 A E G 3 S+ 0 0 116 1,-0.3 -1,-0.3 100,-0.2 101,-0.2 0.851 97.0 52.5 -47.4 -41.8 59.4 93.6 6.0 25 25 A E G < S+ 0 0 106 -3,-1.5 2,-0.4 99,-0.1 -1,-0.3 0.558 93.7 93.6 -74.4 -7.2 62.4 94.6 8.0 26 26 A L < + 0 0 1 -3,-2.6 99,-2.8 -4,-0.4 2,-0.4 -0.736 44.8 168.4 -92.7 130.7 60.9 93.2 11.2 27 27 A T E -ac 2 125A 10 -26,-1.7 -24,-2.2 -2,-0.4 2,-0.4 -0.920 13.2-164.8-144.1 111.4 61.6 89.7 12.3 28 28 A V E -ac 3 126A 1 97,-1.5 99,-2.3 -2,-0.4 2,-0.7 -0.846 11.3-147.7-101.3 132.7 60.6 88.5 15.8 29 29 A V E -ac 4 127A 4 -26,-2.6 -24,-2.6 -2,-0.4 2,-0.3 -0.885 22.2-153.2 -99.8 112.1 62.0 85.4 17.4 30 30 A V E -ac 5 128A 0 97,-2.4 99,-2.6 -2,-0.7 2,-0.2 -0.649 14.2-115.8 -92.3 142.5 59.3 83.9 19.6 31 31 A N - 0 0 0 -26,-1.4 16,-0.3 -2,-0.3 15,-0.3 -0.523 24.1-175.6 -72.7 137.2 59.9 81.7 22.6 32 32 A T > + 0 0 4 -2,-0.2 3,-1.7 1,-0.1 102,-0.4 0.381 59.4 98.7-114.7 1.9 58.6 78.1 22.4 33 33 A A T 3 S+ 0 0 0 1,-0.3 103,-2.1 164,-0.2 -1,-0.1 0.361 84.8 56.2 -71.2 8.1 59.4 76.8 25.9 34 34 A E T 3 S+ 0 0 35 101,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.496 77.1 118.5-114.7 -12.0 55.7 77.6 26.6 35 35 A D < + 0 0 27 -3,-1.7 2,-0.3 99,-0.3 9,-0.2 -0.158 37.8 175.0 -57.2 153.6 54.1 75.5 23.9 36 36 A L E -G 43 0B 60 7,-1.3 7,-2.1 5,-0.1 2,-0.8 -0.922 35.1-115.5-165.0 133.4 51.8 72.7 25.2 37 37 A W E +G 42 0B 131 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.618 41.3 179.7 -78.7 111.5 49.5 70.2 23.6 38 38 A V E > -G 41 0B 26 3,-2.4 3,-2.5 -2,-0.8 47,-0.1 -0.889 60.6 -15.8-116.5 139.3 46.0 70.9 24.8 39 39 A S T 3 S- 0 0 70 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.747 132.3 -48.2 45.1 25.0 42.7 69.2 23.9 40 40 A G T 3 S+ 0 0 44 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.630 122.4 91.2 94.0 14.0 44.6 67.5 21.1 41 41 A N E < S-G 38 0B 19 -3,-2.5 -3,-2.4 -5,-0.1 2,-0.3 -0.982 75.8-114.8-147.8 132.5 46.3 70.6 19.5 42 42 A L E -G 37 0B 14 -2,-0.3 2,-0.6 54,-0.3 -5,-0.2 -0.461 29.5-158.2 -66.3 124.6 49.6 72.3 20.1 43 43 A I E -G 36 0B 14 -7,-2.1 -7,-1.3 -2,-0.3 3,-0.2 -0.922 11.8-170.6-110.1 116.4 49.2 75.8 21.5 44 44 A S > - 0 0 0 -2,-0.6 4,-3.0 -9,-0.2 5,-0.3 -0.783 7.7-176.3-103.7 87.2 52.1 78.3 21.1 45 45 A P H > S+ 0 0 49 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.911 81.8 41.0 -49.2 -49.1 50.8 81.0 23.4 46 46 A D H > S+ 0 0 9 -15,-0.3 4,-1.9 2,-0.2 5,-0.2 0.918 115.1 49.1 -69.8 -43.8 53.7 83.3 22.5 47 47 A L H > S+ 0 0 2 -16,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.925 112.1 48.9 -60.0 -47.2 53.8 82.6 18.8 48 48 A D H X S+ 0 0 5 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.808 105.6 58.5 -63.0 -33.8 50.0 83.1 18.4 49 49 A T H X S+ 0 0 17 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.978 110.0 42.3 -63.0 -49.9 50.1 86.4 20.3 50 50 A V H >X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 3,-0.8 0.951 114.3 51.2 -61.6 -48.5 52.6 87.8 17.8 51 51 A L H 3X S+ 0 0 1 -4,-2.7 4,-0.6 1,-0.3 -1,-0.2 0.957 111.9 47.0 -51.1 -54.6 50.6 86.4 14.8 52 52 A Y H 3<>S+ 0 0 1 -4,-3.0 5,-2.3 2,-0.2 6,-1.1 0.675 111.4 55.4 -61.1 -19.9 47.4 87.9 16.2 53 53 A L H X<5S+ 0 0 1 -4,-1.2 3,-2.0 -3,-0.8 5,-0.3 0.978 109.1 40.4 -74.3 -71.6 49.2 91.2 16.7 54 54 A F H 3<5S+ 0 0 10 -4,-2.0 69,-0.3 1,-0.3 -2,-0.2 0.450 113.3 61.0 -58.1 0.0 50.6 91.7 13.2 55 55 A S T 3<5S- 0 0 21 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.1 0.029 107.8-122.3-114.2 21.2 47.2 90.5 11.9 56 56 A D T < 5S+ 0 0 126 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.801 89.3 100.2 39.1 40.8 45.1 93.2 13.6 57 57 A Q < + 0 0 38 -5,-2.3 10,-1.1 -4,-0.2 2,-0.3 0.204 41.9 124.9-135.2 15.3 43.1 90.5 15.4 58 58 A I B S-H 66 0C 4 -6,-1.1 2,-1.2 -5,-0.3 8,-0.2 -0.614 70.4-114.2 -80.0 135.1 44.7 90.6 18.9 59 59 A D >> - 0 0 25 6,-1.8 4,-1.1 -2,-0.3 5,-0.8 -0.581 30.2-166.4 -69.3 98.1 42.3 91.1 21.8 60 60 A R T 45S+ 0 0 98 -2,-1.2 -1,-0.2 1,-0.2 5,-0.0 0.416 78.7 65.4 -71.1 1.2 43.6 94.5 22.9 61 61 A K T 45S+ 0 0 181 3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.885 122.1 13.7 -87.1 -45.5 41.7 94.3 26.2 62 62 A R T 45S- 0 0 140 -3,-0.5 -2,-0.2 2,-0.2 -3,-0.1 0.246 93.9-131.4-113.9 8.2 43.6 91.3 27.6 63 63 A W T <5S+ 0 0 28 -4,-1.1 2,-0.3 -5,-0.1 -3,-0.2 0.832 82.0 78.2 37.2 46.2 46.5 91.3 25.2 64 64 A W S -H 58 0C 8 -8,-0.2 3,-2.0 4,-0.1 -8,-0.2 -0.906 52.2-111.1-116.3 127.5 41.4 87.2 19.7 67 67 A E T 3 S+ 0 0 98 -10,-1.1 -8,-0.1 -2,-0.5 -1,-0.0 -0.065 101.5 5.5 -46.7 146.9 39.2 90.3 19.9 68 68 A N T 3 S+ 0 0 132 1,-0.1 -1,-0.3 0, 0.0 -11,-0.0 0.676 94.3 161.0 49.0 20.0 35.5 89.5 19.8 69 69 A D < - 0 0 19 -3,-2.0 2,-0.3 1,-0.1 -1,-0.1 -0.186 32.7-132.2 -66.4 163.2 36.3 85.8 19.9 70 70 A T - 0 0 81 1,-0.0 20,-3.3 4,-0.0 21,-0.3 -0.814 10.0-158.7-113.8 159.6 33.6 83.3 20.9 71 71 A F > + 0 0 40 -2,-0.3 4,-2.5 18,-0.2 3,-0.5 -0.045 41.4 134.8-131.7 37.5 33.9 80.5 23.5 72 72 A G H > S+ 0 0 40 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.805 76.4 49.3 -55.2 -36.9 31.1 78.1 22.6 73 73 A T H > S+ 0 0 71 2,-0.2 4,-1.0 15,-0.2 -1,-0.2 0.835 115.3 46.0 -72.4 -32.5 33.3 75.0 22.9 74 74 A Y H >> S+ 0 0 45 -3,-0.5 4,-1.7 14,-0.3 3,-1.2 0.986 106.5 54.0 -70.0 -65.4 34.6 76.2 26.2 75 75 A E H 3X S+ 0 0 102 -4,-2.5 4,-2.8 1,-0.3 5,-0.2 0.794 101.2 63.5 -42.0 -34.6 31.4 77.2 27.9 76 76 A R H 3X S+ 0 0 121 -4,-1.1 4,-2.3 -5,-0.3 -1,-0.3 0.971 103.5 47.1 -55.4 -53.0 30.1 73.7 27.0 77 77 A X H <<>S+ 0 0 48 -3,-1.2 5,-3.6 -4,-1.0 -1,-0.2 0.896 110.4 54.6 -51.5 -46.5 32.8 72.3 29.3 78 78 A K H ><5S+ 0 0 145 -4,-1.7 3,-4.6 3,-0.3 -2,-0.2 0.980 105.8 49.3 -52.3 -66.1 31.7 74.9 31.9 79 79 A E H 3<5S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.859 115.5 45.4 -40.0 -46.0 28.1 73.8 31.9 80 80 A L T 3<5S- 0 0 94 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.463 116.2-122.5 -79.2 -2.1 29.4 70.2 32.3 81 81 A G T < 5 + 0 0 62 -3,-4.6 2,-0.7 -4,-0.2 -3,-0.3 0.898 63.0 145.6 60.4 41.3 31.7 71.6 35.0 82 82 A I < - 0 0 93 -5,-3.6 2,-0.9 -6,-0.1 -1,-0.2 -0.888 43.1-148.4-112.0 97.3 34.7 70.3 33.1 83 83 A E - 0 0 145 -2,-0.7 4,-0.1 1,-0.2 -9,-0.0 -0.566 8.9-164.7 -68.0 103.2 37.6 72.7 33.7 84 84 A E - 0 0 29 -2,-0.9 -45,-0.2 2,-0.1 -1,-0.2 0.803 39.8-112.1 -60.1 -33.4 39.4 72.4 30.3 85 85 A G S S+ 0 0 33 -3,-0.1 2,-0.3 -47,-0.1 -1,-0.1 0.268 89.9 32.2 115.9 -4.7 42.5 74.1 31.8 86 86 A L S S- 0 0 48 2,-0.1 2,-1.3 -12,-0.0 -2,-0.1 -0.924 81.8-111.5-174.2 148.5 42.3 77.2 29.7 87 87 A K - 0 0 85 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.0 -0.691 42.3-168.6 -93.3 84.8 39.6 79.4 28.1 88 88 A L - 0 0 3 -2,-1.3 -14,-0.3 -17,-0.1 2,-0.2 -0.575 16.2-130.6 -78.0 131.2 40.3 78.7 24.4 89 89 A G > - 0 0 2 -2,-0.3 4,-2.0 1,-0.1 -18,-0.2 -0.564 12.8-129.2 -80.3 141.3 38.5 80.9 21.8 90 90 A D H > S+ 0 0 48 -20,-3.3 4,-1.6 1,-0.2 3,-0.4 0.947 114.8 40.2 -52.5 -49.0 36.7 79.2 19.0 91 91 A R H > S+ 0 0 144 -21,-0.3 4,-0.9 1,-0.3 -1,-0.2 0.848 115.3 52.7 -67.6 -35.1 38.5 81.4 16.5 92 92 A D H > S+ 0 0 12 -22,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.695 105.5 55.6 -75.3 -16.5 41.7 81.0 18.5 93 93 A R H X S+ 0 0 36 -4,-2.0 4,-2.7 -3,-0.4 -2,-0.2 0.909 94.5 65.1 -80.8 -38.5 41.3 77.3 18.4 94 94 A A H X S+ 0 0 46 -4,-1.6 4,-3.2 1,-0.3 -2,-0.2 0.849 100.9 53.8 -47.5 -40.1 41.2 77.1 14.6 95 95 A T H X S+ 0 0 5 -4,-0.9 4,-2.3 2,-0.2 5,-0.4 0.961 108.2 47.4 -60.5 -51.1 44.7 78.4 14.7 96 96 A H H X S+ 0 0 2 -4,-1.0 4,-1.1 1,-0.2 -54,-0.3 0.871 113.9 49.6 -57.4 -39.2 45.7 75.5 17.0 97 97 A I H X S+ 0 0 57 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.932 112.6 46.2 -65.8 -49.5 43.9 73.1 14.7 98 98 A I H X S+ 0 0 60 -4,-3.2 4,-2.1 1,-0.2 3,-0.4 0.990 114.4 43.8 -59.5 -64.1 45.6 74.5 11.6 99 99 A R H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.769 115.1 53.2 -53.0 -27.9 49.2 74.6 12.9 100 100 A S H X S+ 0 0 0 -4,-1.1 4,-3.7 -5,-0.4 5,-0.3 0.914 105.1 51.9 -75.3 -42.5 48.6 71.1 14.4 101 101 A N H X S+ 0 0 71 -4,-2.6 4,-1.1 -3,-0.4 6,-0.2 0.895 108.9 51.5 -58.2 -43.1 47.3 69.6 11.1 102 102 A I H ><>S+ 0 0 46 -4,-2.1 5,-1.6 1,-0.2 3,-0.6 0.970 115.9 41.9 -57.0 -51.9 50.5 70.8 9.4 103 103 A I H ><5S+ 0 0 39 -4,-1.7 3,-0.8 1,-0.3 -2,-0.2 0.863 107.8 57.0 -63.4 -44.4 52.6 69.2 12.2 104 104 A R H 3<5S+ 0 0 120 -4,-3.7 2,-0.4 1,-0.3 -1,-0.3 0.772 102.1 63.7 -59.4 -23.4 50.6 66.0 12.4 105 105 A D T <<5S- 0 0 129 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.1 -0.354 128.4 -90.9 -99.6 49.9 51.5 65.7 8.7 106 106 A G T < 5S+ 0 0 79 -3,-0.8 -3,-0.2 -2,-0.4 -2,-0.1 0.390 89.1 128.1 61.7 -1.9 55.3 65.5 9.0 107 107 A A < - 0 0 32 -5,-1.6 2,-0.2 -6,-0.2 -1,-0.2 -0.164 55.6-116.2 -76.2 178.3 55.7 69.2 8.8 108 108 A S > - 0 0 25 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.688 20.7-111.2-112.1 165.5 57.7 71.4 11.3 109 109 A L H > S+ 0 0 14 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.937 119.0 51.5 -61.6 -47.9 56.6 74.2 13.7 110 110 A T H > S+ 0 0 2 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.813 107.0 55.5 -58.8 -32.6 58.5 76.8 11.7 111 111 A D H >> S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 3,-1.3 0.994 110.7 43.2 -63.0 -58.3 56.7 75.5 8.6 112 112 A S H 3X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.3 5,-0.3 0.838 105.8 62.2 -54.9 -40.3 53.3 76.1 10.2 113 113 A T H 3X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 -1,-0.3 0.848 109.6 42.9 -58.3 -31.1 54.3 79.5 11.6 114 114 A V H S+ 0 0 10 -4,-1.6 5,-2.7 -5,-0.3 4,-0.7 0.790 108.4 50.6 -50.7 -28.6 51.4 84.0 8.5 118 118 A S H <5S+ 0 0 80 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.902 108.6 47.6 -76.9 -45.1 50.2 83.6 4.9 119 119 A L H <5S+ 0 0 101 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.844 118.5 44.0 -64.1 -32.0 46.6 83.0 5.8 120 120 A F H <5S- 0 0 57 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.640 108.1-129.0 -86.7 -15.5 46.8 86.0 8.1 121 121 A G T <5 + 0 0 52 -4,-0.7 2,-0.3 -5,-0.3 -3,-0.2 0.760 44.2 169.2 73.7 24.7 48.7 88.1 5.5 122 122 A I < - 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e 0 260A 2 -30,-1.9 -27,-0.2 -2,-0.3 42,-0.2 -0.949 32.6-109.9-113.6 120.2 64.5 97.0 27.6 220 220 A S - 0 0 1 40,-3.4 42,-0.1 -2,-0.5 25,-0.1 -0.165 17.9-157.7 -49.1 126.2 64.1 96.3 31.3 221 221 A P S S+ 0 0 40 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.291 78.0 65.7 -88.8 8.4 61.0 94.3 32.1 222 222 A I - 0 0 18 -30,-0.1 40,-0.3 23,-0.1 2,-0.2 -1.000 66.4-161.1-136.3 132.6 61.1 95.7 35.6 223 223 A I - 0 0 48 -2,-0.4 22,-0.1 1,-0.2 40,-0.0 -0.574 26.9-111.9-103.0 168.7 60.6 99.2 36.9 224 224 A G S S+ 0 0 20 -2,-0.2 -1,-0.2 38,-0.1 40,-0.0 0.733 76.7 90.1 -68.5-116.5 61.8 100.6 40.2 225 225 A N S S- 0 0 130 3,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.194 93.5 -10.8 57.5-149.3 58.9 101.5 42.6 226 226 A A S S- 0 0 75 1,-0.2 -3,-0.1 2,-0.1 0, 0.0 -0.123 103.9 -51.4 -72.7 174.1 57.7 98.8 45.0 227 227 A P - 0 0 115 0, 0.0 -1,-0.2 0, 0.0 17,-0.1 0.008 61.9-100.9 -45.0 152.9 58.7 95.1 44.7 228 228 A V - 0 0 48 15,-0.2 -5,-0.1 1,-0.1 -2,-0.1 0.866 38.6-169.8 -47.0 -46.4 58.3 93.5 41.3 229 229 A S + 0 0 119 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.774 47.8 121.9 59.5 19.8 55.1 91.7 42.3 230 230 A G S > S- 0 0 19 1,-0.0 3,-1.6 0, 0.0 4,-0.5 -0.624 83.7-101.3-111.9 173.1 55.5 89.9 39.0 231 231 A P T 3 S+ 0 0 35 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.593 122.4 55.4 -67.1 -10.6 55.8 86.2 38.0 232 232 A A T 3 S+ 0 0 10 2,-0.1 4,-0.2 1,-0.1 -4,-0.1 0.446 84.5 88.0 -98.8 -5.3 59.6 86.7 37.7 233 233 A G S X S+ 0 0 11 -3,-1.6 3,-0.7 1,-0.2 -1,-0.1 0.948 99.2 29.7 -57.2 -55.5 59.9 88.0 41.2 234 234 A K T 3> S+ 0 0 60 -4,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.507 115.4 63.3 -83.3 -7.8 60.3 84.5 42.8 235 235 A L T 34 S+ 0 0 3 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.288 93.9 66.5 -97.2 6.6 62.0 83.2 39.7 236 236 A X T X>>S+ 0 0 1 -3,-0.7 5,-3.2 -4,-0.2 4,-1.1 0.882 103.0 37.4 -92.5 -52.5 64.9 85.7 40.2 237 237 A P T 345S+ 0 0 80 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.764 110.7 61.9 -73.1 -25.4 66.5 84.5 43.4 238 238 A A T 3<5S+ 0 0 28 -4,-0.5 -75,-0.2 1,-0.2 -2,-0.1 0.653 109.6 41.0 -74.8 -16.4 66.0 80.8 42.5 239 239 A C T <45S- 0 0 56 -3,-0.6 -1,-0.2 2,-0.2 -3,-0.1 0.650 125.5 -98.4-101.7 -24.0 68.2 81.2 39.4 240 240 A G T <5S+ 0 0 61 -4,-1.1 2,-0.4 1,-0.4 -2,-0.1 0.627 82.7 118.6 113.8 21.6 70.8 83.4 41.1 241 241 A I < - 0 0 22 -5,-3.2 -1,-0.4 -6,-0.1 2,-0.2 -0.934 63.4-116.1-121.0 143.6 69.8 86.9 40.1 242 242 A E - 0 0 106 -2,-0.4 2,-2.1 1,-0.1 5,-0.3 -0.565 33.2-111.5 -77.0 138.1 68.7 89.8 42.3 243 243 A V S S+ 0 0 63 -2,-0.2 2,-0.3 4,-0.1 -15,-0.2 -0.469 81.2 99.1 -70.6 80.2 65.1 91.0 41.8 244 244 A S S > S- 0 0 37 -2,-2.1 4,-1.8 -17,-0.1 3,-0.3 -0.983 89.5-104.0-161.1 157.4 66.0 94.4 40.3 245 245 A S H > S+ 0 0 2 -2,-0.3 4,-0.9 1,-0.2 -23,-0.1 0.636 123.2 59.2 -60.1 -10.0 66.3 96.2 36.9 246 246 A X H > S+ 0 0 23 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.914 98.4 51.4 -83.6 -51.8 70.0 95.6 37.7 247 247 A G H > S+ 0 0 0 -5,-0.3 4,-0.7 -3,-0.3 -2,-0.2 0.895 105.9 58.8 -53.8 -40.5 69.9 91.9 37.9 248 248 A V H >X S+ 0 0 1 -4,-1.8 3,-1.1 1,-0.2 4,-0.7 0.933 107.6 44.6 -54.2 -50.8 68.2 91.8 34.5 249 249 A A H >< S+ 0 0 1 -4,-0.9 3,-0.8 1,-0.3 -1,-0.2 0.854 110.6 54.6 -62.1 -38.0 71.1 93.7 32.9 250 250 A E H 3< S+ 0 0 61 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.543 99.5 62.8 -74.6 -7.1 73.6 91.5 34.6 251 251 A Y H << S+ 0 0 60 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.720 111.7 36.1 -87.3 -23.1 71.9 88.4 33.2 252 252 A Y S XX S+ 0 0 4 -3,-0.8 4,-2.9 -4,-0.7 3,-2.3 0.128 79.7 120.2-110.9 14.8 72.7 89.6 29.7 253 253 A Q T 34 + 0 0 104 1,-0.3 -1,-0.1 2,-0.2 -3,-0.1 0.167 67.2 68.2 -67.8 24.8 76.2 91.0 30.7 254 254 A D T 34 S- 0 0 70 -2,-0.5 -1,-0.3 -3,-0.0 -2,-0.1 0.453 124.9 -3.2-120.6 -7.6 77.6 88.6 28.2 255 255 A F T <4 S+ 0 0 8 -3,-2.3 -39,-0.6 -42,-0.0 2,-0.3 0.386 92.5 123.8-159.8 -12.2 76.3 90.2 25.0 256 256 A L E < +e 216 0A 12 -4,-2.9 -39,-0.2 -7,-0.2 3,-0.1 -0.460 25.7 170.8 -66.4 122.7 74.1 93.2 26.0 257 257 A D E + 0 0 51 -41,-2.3 21,-1.7 1,-0.3 2,-0.5 0.884 66.9 22.8 -96.7 -66.9 75.3 96.4 24.4 258 258 A V E S-ef 217 278A 11 -42,-1.7 -40,-1.9 19,-0.2 2,-0.4 -0.917 70.3-165.9-109.4 125.4 72.7 99.1 25.1 259 259 A F E -ef 218 279A 0 19,-2.1 21,-1.8 -2,-0.5 2,-0.4 -0.879 2.7-158.3-109.4 140.7 70.4 98.7 28.0 260 260 A V E +ef 219 280A 0 -42,-2.6 -40,-3.4 -2,-0.4 2,-0.3 -0.968 12.2 176.5-122.9 132.2 67.2 100.7 28.5 261 261 A F E - f 0 281A 4 19,-1.9 21,-1.4 -2,-0.4 -38,-0.1 -0.949 37.3 -85.4-132.3 154.4 65.4 101.2 31.8 262 262 A D - 0 0 0 -2,-0.3 21,-0.2 -40,-0.3 -38,-0.1 -0.146 28.5-126.2 -57.6 145.0 62.4 103.3 32.9 263 263 A E S S+ 0 0 99 19,-0.4 -1,-0.1 1,-0.1 20,-0.1 0.716 101.0 78.9 -63.4 -19.3 62.7 106.9 33.9 264 264 A R S S+ 0 0 84 18,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.967 84.1 50.2 -53.5 -86.4 61.0 105.8 37.1 265 265 A D - 0 0 22 1,-0.2 -1,-0.1 3,-0.0 -4,-0.0 -0.404 63.4-169.4 -60.5 114.1 63.7 104.1 39.2 266 266 A R + 0 0 193 -2,-0.3 3,-0.3 2,-0.0 -1,-0.2 -0.153 30.0 164.3 -96.0 38.1 66.7 106.6 39.2 267 267 A A - 0 0 47 1,-0.2 2,-1.6 2,-0.1 3,-0.1 0.161 58.5 -61.0 -45.7 170.7 68.8 103.8 40.7 268 268 A D >> - 0 0 96 1,-0.2 3,-3.0 2,-0.1 4,-0.6 -0.433 52.3-172.1 -63.0 88.0 72.6 104.0 40.8 269 269 A E H 3> S+ 0 0 117 -2,-1.6 4,-0.9 1,-0.3 3,-0.5 0.751 82.4 70.1 -54.6 -24.8 73.1 104.2 37.0 270 270 A F H 3> S+ 0 0 145 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.652 90.6 62.2 -68.2 -14.8 76.9 103.9 37.8 271 271 A A H X4 S+ 0 0 9 -3,-3.0 3,-0.6 2,-0.2 -1,-0.2 0.870 99.2 50.7 -77.0 -38.8 76.0 100.3 38.8 272 272 A F H >< S+ 0 0 4 -4,-0.6 3,-0.9 -3,-0.5 5,-0.4 0.723 103.9 62.1 -69.4 -21.1 74.9 99.5 35.2 273 273 A E H >< S+ 0 0 91 -4,-0.9 3,-2.8 1,-0.2 -1,-0.2 0.815 85.8 72.4 -72.4 -33.0 78.2 100.9 34.2 274 274 A R T << S+ 0 0 170 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.475 95.1 55.7 -62.5 -0.6 79.9 98.2 36.3 275 275 A L T < S- 0 0 38 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.262 112.3-120.3-113.4 6.1 78.8 95.8 33.4 276 276 A G < + 0 0 69 -3,-2.8 2,-0.3 1,-0.2 -3,-0.1 0.959 69.2 120.1 52.2 62.7 80.4 97.8 30.7 277 277 A C - 0 0 16 -5,-0.4 -19,-0.2 -4,-0.1 -2,-0.2 -0.987 66.0 -99.0-154.2 147.3 77.3 98.6 28.6 278 278 A H E -f 258 0A 141 -21,-1.7 -19,-2.1 -2,-0.3 2,-0.3 -0.202 36.8-158.3 -60.8 156.8 75.5 101.8 27.4 279 279 A A E +f 259 0A 39 -21,-0.2 2,-0.3 -19,-0.0 -19,-0.2 -0.992 13.5 172.7-145.4 134.1 72.5 102.9 29.4 280 280 A S E -f 260 0A 35 -21,-1.8 -19,-1.9 -2,-0.3 2,-0.4 -0.907 25.2-118.6-137.0 166.1 69.5 105.2 28.5 281 281 A R E +f 261 0A 74 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.851 37.1 145.7-110.8 141.8 66.2 106.4 29.9 282 282 A A - 0 0 0 -21,-1.4 2,-0.8 -2,-0.4 -19,-0.4 -0.941 52.3-100.7-169.0 146.9 62.7 105.9 28.5 283 283 A D - 0 0 25 -2,-0.3 12,-0.1 -21,-0.2 -21,-0.1 -0.642 34.1-179.5 -77.1 108.5 59.1 105.4 29.8 284 284 A T + 0 0 13 -2,-0.8 2,-1.6 1,-0.1 -1,-0.2 0.334 49.9 108.3 -92.0 7.5 58.6 101.6 29.4 285 285 A L - 0 0 76 6,-0.1 2,-0.7 2,-0.0 -1,-0.1 -0.621 55.8-167.3 -86.4 81.8 55.0 101.9 30.8 286 286 A X + 0 0 29 -2,-1.6 3,-0.1 1,-0.2 -2,-0.1 -0.633 26.2 154.3 -78.1 112.3 53.2 101.2 27.5 287 287 A T + 0 0 103 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.177 65.3 23.4-120.3 10.4 49.6 102.1 28.0 288 288 A S S > S- 0 0 61 1,-0.1 4,-2.9 -276,-0.1 5,-0.2 -0.963 78.0-108.8-170.4 155.5 48.8 102.8 24.4 289 289 A T H > S+ 0 0 43 -2,-0.3 4,-1.8 1,-0.2 -270,-0.1 0.855 124.0 47.9 -58.6 -30.9 49.8 102.2 20.8 290 290 A E H > S+ 0 0 121 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.976 110.6 46.2 -71.1 -58.2 51.0 105.8 20.9 291 291 A K H > S+ 0 0 62 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.857 115.0 51.4 -51.6 -38.6 52.9 105.7 24.2 292 292 A S H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 3,-0.4 0.898 102.6 56.0 -68.5 -42.6 54.4 102.4 22.9 293 293 A K H X S+ 0 0 62 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.814 102.3 61.4 -59.3 -27.3 55.5 104.0 19.6 294 294 A E H X S+ 0 0 121 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.912 105.9 42.0 -63.7 -47.2 57.3 106.5 21.8 295 295 A L H X S+ 0 0 2 -4,-1.1 4,-1.6 -3,-0.4 -1,-0.2 0.835 110.4 61.4 -69.2 -33.1 59.5 103.8 23.4 296 296 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.926 101.0 50.1 -58.7 -53.1 59.9 102.2 19.9 297 297 A E H X S+ 0 0 115 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.827 108.0 55.6 -57.0 -33.4 61.6 105.3 18.4 298 298 A I H X S+ 0 0 55 -4,-1.0 4,-1.0 2,-0.2 -1,-0.2 0.877 107.4 48.0 -68.1 -37.6 64.0 105.4 21.4 299 299 A V H < S+ 0 0 1 -4,-1.6 4,-0.5 -3,-0.3 3,-0.2 0.943 113.7 47.3 -65.8 -47.9 65.1 101.8 20.7 300 300 A V H >< S+ 0 0 62 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.959 115.2 44.5 -56.7 -53.2 65.6 102.6 17.0 301 301 A Q H 3< S+ 0 0 160 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.685 103.0 68.8 -64.7 -18.6 67.5 105.8 17.9 302 302 A A T 3< 0 0 24 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.630 360.0 360.0 -76.7 -11.3 69.4 103.6 20.5 303 303 A F < 0 0 58 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.776 360.0 360.0 -95.8 360.0 71.1 101.8 17.6