==== 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 TRANSFERASE 24-JUN-11 3SLH . COMPND 2 MOLECULE: 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR S.H.LIGHT,G.MINASOV,E.V.FILIPPOVA,S.N.KRISHNA,L.SHUVALOVA,L. . 1753 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1325 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 288 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 14 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 164 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 209 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 420 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 3 0 0 3 5 12 0 9 9 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 18 10 4 7 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 . 4 3 5 13 18 7 0 2 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 20 0 4 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 A 0 0 73 0, 0.0 434,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 102.3 9.4 13.7 -57.9 2 1 A M E -A 434 0A 46 432,-0.2 407,-3.0 433,-0.0 408,-0.5 -0.895 360.0-171.4-120.2 142.0 5.8 13.5 -59.1 3 2 A D E -A 433 0A 1 430,-3.2 430,-2.8 -2,-0.4 2,-0.4 -0.803 20.7-125.2-119.3 162.9 4.0 15.5 -61.8 4 3 A Y E -AB 432 406A 10 402,-2.3 402,-3.1 -2,-0.3 2,-0.4 -0.899 19.4-165.2-107.3 145.4 0.4 15.7 -62.7 5 4 A Q E -AB 431 405A 50 426,-2.2 426,-2.4 -2,-0.4 2,-0.2 -0.998 11.0-170.4-131.1 126.7 -0.8 15.0 -66.3 6 5 A T E -AB 430 404A 1 398,-2.3 398,-0.5 -2,-0.4 424,-0.2 -0.700 16.3-164.4-113.3 161.0 -4.2 16.0 -67.5 7 6 A I - 0 0 96 422,-0.6 422,-0.5 -2,-0.2 395,-0.1 -0.946 45.9 -82.9-132.2 155.6 -6.5 15.5 -70.4 8 7 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 390,-0.2 -0.140 44.8-119.0 -58.6 155.3 -9.6 17.6 -71.1 9 8 A S - 0 0 12 389,-2.4 3,-0.1 388,-0.1 419,-0.1 -0.751 9.0-154.3 -99.3 142.6 -12.9 16.9 -69.3 10 9 A Q S S- 0 0 173 1,-0.3 -1,-0.1 -2,-0.3 2,-0.1 0.259 78.5 -47.6 -93.7 9.7 -16.2 16.0 -70.9 11 10 A G - 0 0 19 416,-0.4 -1,-0.3 387,-0.1 2,-0.3 -0.120 53.8-110.0 129.9 132.8 -18.0 17.4 -67.9 12 11 A L + 0 0 0 236,-0.3 240,-2.0 232,-0.2 2,-0.3 -0.674 41.6 168.6 -85.2 144.7 -17.8 17.2 -64.1 13 12 A S E +d 252 0B 81 413,-2.4 240,-0.2 -2,-0.3 2,-0.2 -0.991 22.4 45.5-155.5 147.6 -20.6 15.4 -62.3 14 13 A G E S-d 253 0B 38 238,-1.0 240,-2.1 -2,-0.3 2,-0.5 -0.592 72.1 -69.9 118.9 179.8 -21.4 14.0 -58.9 15 14 A E E +d 254 0B 101 238,-0.2 2,-0.3 -2,-0.2 240,-0.2 -0.968 47.7 176.5-117.1 127.7 -21.4 14.7 -55.2 16 15 A I E -d 255 0B 5 238,-2.1 240,-2.5 -2,-0.5 2,-0.6 -0.976 25.4-143.2-135.6 155.2 -18.2 15.0 -53.3 17 16 A C E -d 256 0B 80 -2,-0.3 240,-0.1 238,-0.2 238,-0.1 -0.972 22.0-149.3-112.6 115.6 -17.0 15.7 -49.8 18 17 A V - 0 0 14 -2,-0.6 3,-0.1 238,-0.5 217,-0.0 -0.506 28.0 -95.7 -81.9 159.2 -13.8 17.7 -49.7 19 18 A P - 0 0 24 0, 0.0 215,-2.7 0, 0.0 218,-0.2 -0.101 57.1 -65.0 -69.5 171.8 -11.4 17.2 -46.7 20 19 A G B -E 233 0B 8 213,-0.3 2,-0.3 24,-0.2 213,-0.2 -0.034 56.8 -85.5 -62.1 160.6 -11.4 19.5 -43.7 21 20 A D > - 0 0 3 211,-2.2 4,-2.2 1,-0.1 24,-0.4 -0.439 28.7-153.1 -69.2 124.6 -10.5 23.1 -43.4 22 21 A K H > S+ 0 0 10 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.923 93.3 47.8 -65.3 -44.1 -6.7 23.7 -43.0 23 22 A S H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 115.6 43.3 -65.7 -45.7 -7.1 27.0 -41.1 24 23 A I H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.902 111.4 55.8 -69.8 -38.2 -9.7 25.8 -38.7 25 24 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.927 105.7 51.3 -58.3 -45.0 -7.8 22.5 -38.1 26 25 A H H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.932 115.5 41.3 -58.7 -47.7 -4.6 24.3 -37.1 27 26 A R H X S+ 0 0 7 -4,-1.7 4,-2.7 1,-0.2 5,-0.4 0.875 110.7 57.2 -68.8 -40.4 -6.5 26.4 -34.5 28 27 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.917 111.5 40.8 -58.8 -48.3 -8.7 23.6 -33.2 29 28 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.915 115.4 50.8 -71.1 -38.6 -5.8 21.4 -32.3 30 29 A L H X S+ 0 0 1 -4,-1.8 4,-1.0 -5,-0.3 -2,-0.2 0.962 115.9 40.0 -63.8 -50.2 -3.7 24.2 -30.8 31 30 A L H >X S+ 0 0 2 -4,-2.7 4,-0.6 1,-0.2 3,-0.5 0.901 114.6 53.3 -67.7 -39.8 -6.4 25.6 -28.6 32 31 A A H >< S+ 0 0 0 -4,-2.1 3,-1.0 -5,-0.4 47,-0.2 0.887 101.8 61.6 -60.9 -36.8 -7.6 22.1 -27.6 33 32 A A H 3< S+ 0 0 0 -4,-2.1 45,-2.7 1,-0.2 30,-0.2 0.845 112.9 34.2 -59.5 -36.5 -4.1 21.2 -26.6 34 33 A I H << S+ 0 0 0 -4,-1.0 190,-0.4 -3,-0.5 -1,-0.2 0.275 99.1 102.0-103.6 6.7 -4.0 24.0 -23.9 35 34 A A S << S- 0 0 0 -3,-1.0 44,-2.1 -4,-0.6 2,-0.5 -0.302 78.2-109.6 -79.4 170.2 -7.7 23.7 -22.9 36 35 A E B S+i 225 0C 29 188,-1.8 190,-2.8 42,-0.2 2,-0.2 -0.938 81.8 15.0-103.9 123.7 -8.9 21.9 -19.7 37 36 A G S S- 0 0 16 -2,-0.5 40,-2.5 40,-0.4 2,-0.5 -0.471 99.9 -43.9 109.3-177.2 -10.7 18.7 -20.5 38 37 A Q E -J 76 0D 69 38,-0.2 2,-0.5 188,-0.2 38,-0.2 -0.767 44.6-170.3 -96.6 128.0 -11.2 16.4 -23.5 39 38 A T E -J 75 0D 0 36,-2.9 36,-3.0 -2,-0.5 2,-0.5 -0.973 7.3-159.4-117.0 121.8 -11.8 17.8 -27.0 40 39 A Q E -J 74 0D 61 -2,-0.5 189,-2.3 34,-0.2 2,-0.6 -0.878 10.3-159.7 -94.5 126.2 -12.8 15.4 -29.8 41 40 A V E -Jk 73 229D 0 32,-3.0 32,-2.1 -2,-0.5 3,-0.4 -0.944 7.6-169.6-110.2 111.9 -12.0 17.0 -33.2 42 41 A D E +Jk 72 230D 54 187,-2.9 189,-3.1 -2,-0.6 30,-0.2 -0.796 69.7 25.5-100.6 143.2 -14.0 15.5 -36.1 43 42 A G S S+ 0 0 26 28,-0.9 -1,-0.2 27,-0.4 29,-0.2 0.632 79.3 168.9 84.1 11.3 -13.1 16.3 -39.8 44 43 A F - 0 0 1 27,-1.8 2,-0.7 -3,-0.4 -24,-0.2 -0.337 41.8-112.3 -58.4 137.1 -9.5 17.3 -38.9 45 44 A L - 0 0 2 -24,-0.4 2,-1.2 -26,-0.1 -1,-0.1 -0.640 22.9-158.5 -78.3 113.8 -7.4 17.7 -42.1 46 45 A M + 0 0 15 -2,-0.7 2,-0.2 22,-0.1 -1,-0.1 -0.294 48.4 126.6 -89.2 49.7 -4.8 14.9 -42.1 47 46 A G S > S- 0 0 2 -2,-1.2 4,-2.3 367,-0.2 367,-0.2 -0.514 76.0 -98.3-100.0 175.4 -2.5 16.7 -44.5 48 47 A A H > S+ 0 0 45 365,-2.1 4,-1.6 1,-0.2 366,-0.2 0.868 118.9 51.2 -66.1 -38.8 1.2 17.5 -44.0 49 48 A D H > S+ 0 0 3 365,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.950 114.5 42.1 -65.6 -48.2 0.8 21.0 -42.7 50 49 A N H > S+ 0 0 0 364,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.870 113.0 52.3 -70.1 -33.9 -1.8 20.1 -40.0 51 50 A L H X S+ 0 0 39 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.810 104.2 57.9 -73.2 -26.0 0.1 17.0 -38.9 52 51 A A H X S+ 0 0 18 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.916 106.1 49.7 -66.3 -40.5 3.3 19.1 -38.5 53 52 A M H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.939 111.2 49.8 -59.1 -47.3 1.3 21.2 -36.0 54 53 A V H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.949 111.6 47.0 -56.8 -51.0 0.2 18.1 -34.2 55 54 A S H X S+ 0 0 65 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.902 110.7 52.3 -61.5 -41.5 3.7 16.7 -34.0 56 55 A A H X S+ 0 0 6 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.923 110.8 47.9 -60.2 -44.2 5.1 20.0 -32.8 57 56 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.8 0.895 109.4 53.4 -64.6 -38.3 2.4 20.1 -30.0 58 57 A Q H ><5S+ 0 0 50 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.846 100.5 60.4 -65.0 -34.3 3.2 16.5 -29.0 59 58 A Q H 3<5S+ 0 0 94 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.763 106.6 49.2 -63.5 -23.2 6.9 17.4 -28.7 60 59 A M T <<5S- 0 0 0 -3,-0.8 24,-2.9 -4,-0.7 -1,-0.3 0.165 130.5 -93.0-100.5 11.5 5.8 19.9 -26.0 61 60 A G T < 5 + 0 0 0 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.667 69.1 153.8 88.9 16.5 3.7 17.4 -24.1 62 61 A A < - 0 0 0 -5,-2.3 2,-0.8 -8,-0.1 -1,-0.3 -0.508 44.0-130.0 -69.3 149.8 0.2 17.9 -25.7 63 62 A S E +L 76 0D 14 13,-0.7 13,-2.6 -30,-0.2 2,-0.4 -0.898 42.5 159.6-106.7 99.5 -1.9 14.7 -25.4 64 63 A I E -L 75 0D 15 -2,-0.8 2,-0.6 11,-0.2 11,-0.2 -0.988 29.2-158.7-130.4 121.3 -3.2 14.0 -28.8 65 64 A Q E -L 74 0D 114 9,-2.8 9,-2.1 -2,-0.4 2,-0.6 -0.902 17.2-152.9 -97.4 118.8 -4.5 10.7 -30.1 66 65 A V E -L 73 0D 51 -2,-0.6 2,-0.7 7,-0.2 7,-0.2 -0.865 16.5-177.1 -97.9 119.6 -4.4 10.8 -33.9 67 66 A I E >>> +L 72 0D 42 5,-2.9 3,-2.0 -2,-0.6 5,-1.8 -0.731 10.1 175.4-111.9 78.3 -6.9 8.6 -35.7 68 67 A E G >45S+ 0 0 109 -2,-0.7 3,-0.9 1,-0.3 -1,-0.2 0.838 72.2 58.0 -55.1 -41.2 -5.7 9.4 -39.3 69 68 A D G 345S+ 0 0 160 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.493 115.2 37.4 -68.9 -9.8 -8.1 6.9 -41.0 70 69 A E G <45S- 0 0 121 -3,-2.0 -27,-0.4 2,-0.2 -1,-0.2 0.371 105.3-121.5-120.5 0.8 -11.1 8.6 -39.4 71 70 A N T <<5S+ 0 0 78 -3,-0.9 -27,-1.8 -4,-0.7 -28,-0.9 0.839 70.5 132.0 56.1 39.2 -10.0 12.2 -39.6 72 71 A I E < -JL 42 67D 23 -5,-1.8 -5,-2.9 -30,-0.2 2,-0.4 -0.919 40.8-168.4-123.9 141.6 -10.3 12.4 -35.9 73 72 A L E -JL 41 66D 0 -32,-2.1 -32,-3.0 -2,-0.4 2,-0.5 -0.975 8.1-158.2-117.7 143.0 -8.2 13.7 -33.1 74 73 A V E -JL 40 65D 17 -9,-2.1 -9,-2.8 -2,-0.4 2,-0.5 -0.983 18.6-168.2-116.9 114.8 -8.9 13.1 -29.4 75 74 A V E -JL 39 64D 0 -36,-3.0 -36,-2.9 -2,-0.5 2,-0.8 -0.920 17.4-161.4-110.9 124.2 -7.1 15.8 -27.3 76 75 A E E -JL 38 63D 4 -13,-2.6 -13,-0.7 -2,-0.5 -38,-0.2 -0.905 32.6-131.5 -99.1 104.9 -6.7 15.7 -23.6 77 76 A G - 0 0 1 -40,-2.5 -40,-0.4 -2,-0.8 -43,-0.2 -0.150 15.6-157.0 -62.0 150.4 -5.9 19.3 -22.7 78 77 A V - 0 0 4 -45,-2.7 -44,-0.2 1,-0.3 -42,-0.2 0.300 43.4-114.7-107.3 9.4 -3.0 20.3 -20.5 79 78 A G > - 0 0 5 -44,-2.1 3,-1.4 -47,-0.2 -1,-0.3 0.025 44.5 -61.3 75.5 168.7 -4.3 23.7 -19.4 80 79 A M T 3 S+ 0 0 21 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.830 137.6 32.7 -56.5 -38.1 -2.8 27.1 -20.2 81 80 A T T 3 S+ 0 0 108 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.235 92.0 101.0-107.5 16.1 0.5 26.4 -18.5 82 81 A G < + 0 0 3 -3,-1.4 -1,-0.2 -48,-0.1 -2,-0.1 0.515 50.2 105.6 -82.6 -8.2 0.8 22.7 -19.2 83 82 A L - 0 0 3 -3,-0.3 2,-0.3 -4,-0.2 -22,-0.2 -0.382 56.5-146.3 -73.2 158.0 3.2 22.7 -22.1 84 83 A Q - 0 0 13 -24,-2.9 -22,-0.1 -2,-0.1 -2,-0.0 -0.883 28.0 -87.9-126.5 152.3 6.8 21.5 -21.7 85 84 A A - 0 0 51 -2,-0.3 28,-0.1 1,-0.1 -24,-0.0 -0.348 46.4-127.8 -61.8 127.6 10.1 22.6 -23.3 86 85 A P - 0 0 19 0, 0.0 -26,-0.1 0, 0.0 26,-0.1 -0.508 4.4-135.6 -78.0 150.9 10.7 20.5 -26.4 87 86 A P S S+ 0 0 44 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.707 82.5 20.3 -77.6 -23.4 14.0 18.7 -26.8 88 87 A E S S- 0 0 144 1,-0.1 26,-0.2 -29,-0.1 3,-0.0 -0.839 100.1 -65.7-136.6 174.1 14.6 19.7 -30.5 89 88 A A - 0 0 48 -2,-0.3 2,-0.6 24,-0.1 26,-0.2 -0.291 51.3-117.1 -59.8 147.2 13.5 22.4 -33.0 90 89 A L E -m 115 0E 2 24,-3.2 26,-2.7 -4,-0.1 2,-0.8 -0.815 24.9-144.2 -90.3 119.1 9.8 22.2 -34.0 91 90 A D E -m 116 0E 99 -2,-0.6 26,-0.2 24,-0.2 -35,-0.2 -0.773 17.8-176.3 -91.4 109.9 9.6 21.5 -37.7 92 91 A C > - 0 0 1 24,-3.0 3,-2.1 -2,-0.8 25,-0.2 0.383 21.7-156.8 -88.6 6.0 6.7 23.3 -39.2 93 92 A G T 3 - 0 0 20 1,-0.3 25,-2.8 -41,-0.1 28,-0.3 -0.330 65.7 -22.8 59.0-127.3 7.2 21.8 -42.7 94 93 A N T 3 S+ 0 0 4 23,-0.2 2,-0.8 -2,-0.1 -1,-0.3 0.397 107.7 119.4 -94.5 2.4 5.7 24.0 -45.4 95 94 A S <> + 0 0 0 -3,-2.1 4,-2.0 1,-0.2 5,-0.2 -0.621 33.1 172.0 -92.3 105.0 3.3 25.7 -43.0 96 95 A G H > S+ 0 0 4 -2,-0.8 4,-2.8 2,-0.2 5,-0.3 0.909 87.2 56.9 -65.8 -39.3 3.4 29.4 -42.4 97 96 A T H > S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.937 107.8 48.0 -58.9 -44.7 0.2 29.2 -40.4 98 97 A A H > S+ 0 0 0 -6,-0.2 4,-2.6 1,-0.2 5,-0.3 0.949 114.1 44.3 -62.1 -48.3 1.8 26.7 -38.0 99 98 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.915 117.5 45.0 -66.8 -37.9 5.0 28.7 -37.5 100 99 A R H X S+ 0 0 4 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.919 116.5 43.3 -74.5 -42.6 3.2 32.0 -37.1 101 100 A L H X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.3 3,-0.3 0.925 114.2 51.5 -68.4 -42.7 0.5 30.7 -34.7 102 101 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.4 5,-0.2 0.878 104.1 58.1 -59.7 -36.5 3.0 28.7 -32.7 103 102 A S H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.894 107.8 47.1 -61.0 -40.7 5.3 31.7 -32.3 104 103 A G H < S+ 0 0 0 -4,-1.2 4,-0.5 -3,-0.3 -1,-0.2 0.897 114.0 47.1 -64.5 -43.2 2.4 33.6 -30.6 105 104 A L H < S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.857 118.2 41.9 -63.3 -36.6 1.6 30.6 -28.4 106 105 A L H >< S+ 0 0 0 -4,-2.5 3,-1.6 -5,-0.2 5,-0.2 0.686 91.4 82.2 -93.8 -15.5 5.3 30.2 -27.4 107 106 A A T 3< S+ 0 0 0 -4,-1.6 47,-2.4 1,-0.3 32,-0.2 0.803 100.3 39.6 -58.9 -34.9 6.3 33.8 -26.9 108 107 A G T 3 S+ 0 0 5 -4,-0.5 -1,-0.3 -3,-0.3 49,-0.1 0.162 89.9 110.6-103.7 17.1 4.9 33.8 -23.4 109 108 A Q S < S- 0 0 4 -3,-1.6 47,-0.1 2,-0.2 -28,-0.1 -0.499 75.8-119.9 -85.6 161.4 5.9 30.4 -22.2 110 109 A P S S+ 0 0 68 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.356 90.4 64.0 -84.9 12.5 8.6 30.0 -19.5 111 110 A F S S- 0 0 23 -5,-0.2 42,-1.0 -27,-0.0 2,-0.3 -0.748 82.3-106.7-128.4 173.0 10.8 27.9 -21.9 112 111 A N E - 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