==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 17-JAN-11 3QCZ . COMPND 2 MOLECULE: DIHYDROFOLATE SYNTHASE / FOLYLPOLYGLUTAMATE SYNTH . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR B.NOCEK,M.MAKOWSKA-GRZYSKA,N.MALTSEVA,W.ANDERSON,A.JOACHIMIA . 407 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 27 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 0 1 3 3 1 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 5 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 0 PARALLEL BRIDGES PER LADDER . 2 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 5 A Q 0 0 148 0, 0.0 14,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.2 -10.2 43.3 -4.2 2 6 A T - 0 0 75 1,-0.1 10,-0.1 13,-0.0 9,-0.0 -0.690 360.0-117.5 -66.4 128.3 -11.5 40.9 -1.5 3 7 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.117 28.4-134.7 -64.2 169.5 -10.5 37.4 -2.9 4 8 A Q > - 0 0 124 4,-0.1 3,-1.8 1,-0.0 100,-0.1 -0.686 29.9 -89.5-121.4 177.3 -13.1 34.8 -3.7 5 9 A A T 3 S+ 0 0 32 1,-0.3 99,-0.1 -2,-0.2 98,-0.1 0.798 127.4 45.0 -52.6 -34.4 -13.8 31.1 -3.2 6 10 A T T 3 S+ 0 0 115 94,-0.1 -1,-0.3 95,-0.1 3,-0.1 0.462 89.8 108.7 -94.3 -4.9 -11.9 30.4 -6.5 7 11 A S S < S- 0 0 18 -3,-1.8 93,-0.1 1,-0.1 5,-0.1 -0.311 81.5 -88.1 -70.9 157.8 -8.9 32.7 -5.8 8 12 A P >> - 0 0 91 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.285 32.3-120.4 -62.0 150.0 -5.5 31.2 -5.1 9 13 A L H 3> S+ 0 0 6 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.903 113.8 64.6 -60.0 -36.1 -4.8 30.6 -1.4 10 14 A A H 3> S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.835 100.1 53.3 -53.0 -35.4 -1.8 33.1 -1.6 11 15 A A H <> S+ 0 0 39 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.885 107.6 49.8 -71.7 -36.6 -4.4 35.8 -2.4 12 16 A W H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.3 -2,-0.2 0.920 109.8 50.4 -65.3 -41.8 -6.4 35.0 0.7 13 17 A L H X S+ 0 0 26 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.864 109.2 50.7 -65.0 -37.3 -3.2 35.1 2.9 14 18 A C H X S+ 0 0 67 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.953 111.9 48.7 -64.4 -44.1 -2.3 38.5 1.5 15 19 A Y H >< S+ 0 0 46 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.929 114.7 44.9 -59.2 -44.5 -5.9 39.7 2.3 16 20 A L H >< S+ 0 0 3 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.848 107.4 58.1 -69.6 -33.6 -5.6 38.3 5.8 17 21 A E H 3< S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.602 107.9 48.6 -71.8 -11.0 -2.1 39.7 6.4 18 22 A H T << S+ 0 0 143 -4,-0.8 2,-0.8 -3,-0.7 -1,-0.2 0.284 73.5 138.5-109.3 7.8 -3.4 43.3 5.7 19 23 A L < - 0 0 44 -3,-1.2 98,-0.2 1,-0.1 2,-0.1 -0.431 59.3-123.4 -65.2 102.1 -6.4 43.0 8.0 20 24 A H 0 0 184 -2,-0.8 -1,-0.1 1,-0.1 -2,-0.1 -0.233 360.0 360.0 -56.8 113.9 -6.3 46.5 9.7 21 25 A S 0 0 126 -2,-0.1 -1,-0.1 95,-0.0 95,-0.0 0.165 360.0 360.0-122.6 360.0 -6.1 46.4 13.5 22 ! 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 23 29 A E 0 0 126 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 82.4 -10.3 45.5 20.1 24 30 A L + 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.739 360.0 76.1-132.3 -44.5 -9.8 42.8 22.7 25 31 A G S S- 0 0 35 1,-0.1 4,-0.2 3,-0.0 122,-0.0 0.413 72.3-115.8 -62.7-161.4 -12.6 40.4 23.6 26 32 A L S > S+ 0 0 28 2,-0.1 4,-2.5 1,-0.1 5,-0.2 0.263 82.4 105.0-121.1 3.6 -14.0 37.3 21.9 27 33 A E H > S+ 0 0 161 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.891 81.7 48.2 -59.6 -38.2 -17.5 38.6 21.3 28 34 A R H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.986 114.3 41.5 -66.9 -56.0 -16.8 39.2 17.6 29 35 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.896 114.7 53.8 -60.3 -36.8 -15.3 35.9 16.7 30 36 A K H X S+ 0 0 94 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.928 106.1 52.9 -61.6 -44.8 -17.9 34.1 18.8 31 37 A Q H X S+ 0 0 91 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.934 110.0 47.2 -61.7 -40.8 -20.7 35.8 17.0 32 38 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.951 112.1 50.5 -61.4 -47.9 -19.4 34.8 13.6 33 39 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-0.5 0.910 108.5 52.6 -53.7 -47.5 -18.9 31.2 14.9 34 40 A E H ><5S+ 0 0 109 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.903 107.9 51.8 -59.4 -38.2 -22.5 31.3 16.2 35 41 A R H 3<5S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.847 115.0 40.3 -68.2 -37.3 -23.8 32.3 12.7 36 42 A L T 3<5S- 0 0 43 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.323 108.9-120.6 -96.7 9.5 -22.0 29.5 10.9 37 43 A D T < 5 + 0 0 106 -3,-1.0 3,-0.2 -4,-0.5 -3,-0.2 0.931 66.3 140.9 52.7 50.1 -22.8 26.9 13.6 38 44 A L < + 0 0 0 -5,-2.4 -4,-0.1 1,-0.1 -1,-0.1 0.363 33.6 94.5-101.5 1.6 -19.0 26.3 14.1 39 45 A L S S+ 0 0 42 -6,-0.3 115,-0.4 1,-0.2 -1,-0.1 0.623 85.4 48.3 -77.0 -8.6 -18.8 25.9 18.0 40 46 A K + 0 0 147 -3,-0.2 -1,-0.2 1,-0.1 4,-0.0 -0.388 58.1 160.2-128.2 64.2 -19.0 22.0 17.9 41 47 A P S S- 0 0 6 0, 0.0 93,-0.5 0, 0.0 -1,-0.1 0.699 75.5 -0.6 -54.1 -28.1 -16.5 20.8 15.4 42 48 A A S S- 0 0 7 -3,-0.1 93,-0.2 91,-0.1 94,-0.1 -0.973 75.3-107.6-153.0 163.2 -16.4 17.3 17.0 43 49 A P S S+ 0 0 105 0, 0.0 2,-0.4 0, 0.0 93,-0.1 0.687 110.2 44.2 -73.1 -14.2 -18.1 15.6 19.9 44 50 A K E S-a 136 0A 61 91,-1.0 93,-2.2 90,-0.1 2,-0.4 -0.995 71.8-177.1-129.1 127.6 -14.8 15.6 21.8 45 51 A I E -a 137 0A 2 -2,-0.4 111,-3.2 91,-0.2 112,-1.2 -0.986 7.6-169.2-125.3 127.7 -12.6 18.7 21.9 46 52 A F E -ab 138 157A 1 91,-2.4 93,-3.0 -2,-0.4 2,-0.4 -0.988 7.3-162.6-115.5 130.5 -9.1 19.1 23.5 47 53 A T E -ab 139 158A 1 110,-1.7 112,-2.1 -2,-0.4 2,-0.5 -0.949 4.2-161.5-119.7 129.1 -7.6 22.6 23.9 48 54 A V E +ab 140 159A 0 91,-2.7 93,-2.6 -2,-0.4 2,-0.2 -0.956 12.9 171.0-125.8 118.3 -3.9 23.0 24.5 49 55 A A E + b 0 160A 0 110,-2.9 112,-2.5 -2,-0.5 2,-0.2 -0.612 18.0 116.7-111.7 167.0 -2.2 26.1 25.8 50 56 A G - 0 0 1 94,-0.4 113,-0.2 110,-0.3 3,-0.1 -0.713 63.6-104.9 147.1 162.2 1.3 26.7 27.0 51 57 A T S S+ 0 0 8 111,-2.1 2,-0.3 1,-0.3 112,-0.1 0.959 104.9 7.8 -76.5 -57.4 4.5 28.7 26.3 52 58 A N S S+ 0 0 29 1,-0.1 -1,-0.3 359,-0.1 -3,-0.0 -0.912 118.4 41.0-118.2 147.7 6.4 25.7 24.8 53 59 A G > + 0 0 16 -2,-0.3 4,-2.0 -3,-0.1 5,-0.2 0.386 69.6 117.5 102.1 1.3 5.2 22.2 24.0 54 60 A K H > S+ 0 0 20 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.965 78.5 44.6 -62.1 -55.5 1.8 22.9 22.5 55 61 A G H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 117.0 43.0 -55.1 -50.6 2.5 21.5 19.0 56 62 A T H > S+ 0 0 8 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.842 112.4 53.4 -74.5 -28.8 4.3 18.3 20.2 57 63 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 3,-0.4 0.967 112.0 47.0 -63.9 -49.2 1.7 17.7 22.9 58 64 A C H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.876 109.8 52.6 -59.9 -38.0 -1.0 18.0 20.2 59 65 A C H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.803 107.8 51.1 -71.8 -24.2 0.9 15.7 17.8 60 66 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.4 5,-0.2 0.933 111.0 48.2 -76.7 -46.4 1.2 13.0 20.5 61 67 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.950 113.9 48.4 -50.9 -51.0 -2.6 13.2 21.2 62 68 A E H X S+ 0 0 13 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.922 109.8 49.9 -55.9 -49.8 -3.2 13.0 17.4 63 69 A A H X S+ 0 0 16 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.916 114.5 45.3 -61.3 -41.6 -0.9 10.0 16.8 64 70 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.954 114.4 46.6 -69.4 -44.5 -2.5 8.0 19.7 65 71 A L H <>S+ 0 0 0 -4,-2.7 5,-2.1 -5,-0.2 -2,-0.2 0.871 112.7 49.7 -67.5 -35.6 -6.1 8.8 18.7 66 72 A L H ><5S+ 0 0 50 -4,-2.7 3,-2.0 -5,-0.2 -1,-0.2 0.907 108.7 53.4 -66.8 -42.2 -5.4 8.0 15.0 67 73 A A H 3<5S+ 0 0 34 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.819 103.1 59.4 -60.3 -29.1 -3.8 4.6 16.2 68 74 A A T 3<5S- 0 0 36 -4,-1.8 -1,-0.3 201,-0.1 -2,-0.2 0.372 123.0-107.4 -81.7 2.8 -7.0 4.0 18.0 69 75 A G T < 5S+ 0 0 65 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.658 72.4 138.5 85.4 17.3 -9.0 4.2 14.8 70 76 A L < - 0 0 46 -5,-2.1 2,-0.6 64,-0.0 -1,-0.2 -0.513 59.0-114.3 -94.5 162.9 -10.6 7.6 15.4 71 77 A R - 0 0 95 -2,-0.2 64,-2.3 62,-0.1 65,-2.1 -0.886 45.1-176.2 -95.3 120.7 -11.2 10.5 13.0 72 78 A V E -c 136 0A 0 -2,-0.6 18,-2.0 63,-0.2 19,-0.5 -0.974 20.0-166.0-129.0 135.2 -9.1 13.4 14.3 73 79 A G E -cD 137 89A 0 63,-2.2 65,-2.9 -2,-0.4 2,-0.4 -0.933 8.3-164.3-116.0 142.4 -8.5 17.0 13.4 74 80 A V E -cD 138 88A 0 14,-2.4 14,-2.8 -2,-0.4 2,-0.5 -0.998 6.6-159.5-127.4 133.8 -5.7 19.2 14.6 75 81 A Y E +cD 139 87A 0 63,-2.6 65,-1.6 -2,-0.4 2,-0.3 -0.929 26.4 171.4-106.6 127.7 -5.4 22.9 14.5 76 82 A S - 0 0 11 10,-2.5 66,-0.1 -2,-0.5 -2,-0.0 -0.902 14.6-118.4-142.0 159.5 -1.9 24.1 14.8 77 83 A S + 0 0 11 -2,-0.3 2,-0.2 64,-0.1 -22,-0.2 -0.973 63.1 13.0-166.0 159.3 0.3 27.2 14.5 78 84 A P S S- 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.686 70.8-139.4 -75.9-166.8 2.5 28.9 13.4 79 85 A H - 0 0 45 -2,-0.2 4,-0.1 1,-0.1 322,-0.1 -0.851 8.7-149.2-119.1 156.8 3.6 27.1 10.1 80 86 A L S S- 0 0 17 -2,-0.3 -1,-0.1 2,-0.3 3,-0.1 0.949 85.5 -15.1 -84.3 -65.6 7.0 26.5 8.6 81 87 A L S S+ 0 0 64 1,-0.3 2,-0.4 323,-0.0 3,-0.1 0.670 126.2 38.7-116.1 -26.6 6.5 26.5 4.8 82 88 A R > - 0 0 102 1,-0.1 3,-1.9 0, 0.0 -1,-0.3 -0.996 58.9-141.6-136.5 139.1 2.7 26.2 4.0 83 89 A Y G > S+ 0 0 7 -2,-0.4 3,-2.6 1,-0.3 4,-0.2 0.839 101.5 73.3 -64.8 -27.5 -0.4 27.6 5.6 84 90 A T G > S+ 0 0 6 1,-0.3 3,-1.2 2,-0.2 10,-0.5 0.708 79.3 74.6 -64.4 -15.0 -2.0 24.3 4.9 85 91 A E G < S+ 0 0 28 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.719 80.8 74.2 -58.7 -25.5 0.2 22.8 7.7 86 92 A R G < S+ 0 0 22 -3,-2.6 -10,-2.5 -4,-0.2 2,-0.5 0.658 96.0 46.5 -72.8 -14.1 -2.2 24.5 10.2 87 93 A V E < -D 75 0A 0 -3,-1.2 7,-0.7 -12,-0.2 2,-0.4 -0.940 65.8-178.7-132.9 116.0 -5.1 22.1 9.7 88 94 A R E -DE 74 93A 36 -14,-2.8 -14,-2.4 -2,-0.5 2,-0.4 -0.932 5.7-173.9-113.1 136.3 -4.5 18.3 9.7 89 95 A I E > S-DE 73 92A 19 3,-2.5 3,-1.8 -2,-0.4 -16,-0.2 -0.999 82.7 -6.7-130.0 122.3 -7.3 15.7 9.1 90 96 A Q T 3 S- 0 0 71 -18,-2.0 -1,-0.1 -2,-0.4 -17,-0.1 0.848 132.1 -58.9 52.6 40.0 -6.3 12.1 9.6 91 97 A G T 3 S+ 0 0 23 -19,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.445 117.8 104.4 79.8 2.0 -2.8 13.3 10.0 92 98 A Q E < -E 89 0A 141 -3,-1.8 -3,-2.5 1,-0.0 -1,-0.2 -0.854 68.7-114.7-124.5 153.9 -2.7 15.0 6.6 93 99 A E E -E 88 0A 68 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.440 29.3-127.4 -79.9 158.6 -2.9 18.5 5.1 94 100 A L - 0 0 34 -7,-0.7 -7,-0.1 -10,-0.5 -1,-0.1 -0.449 33.6 -85.4 -95.7 168.9 -5.8 19.6 3.0 95 101 A S > - 0 0 50 -2,-0.1 4,-1.5 1,-0.1 3,-0.2 -0.314 30.6-118.7 -68.9 153.5 -5.6 21.2 -0.5 96 102 A E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 115.3 60.1 -57.3 -38.0 -5.1 24.9 -0.9 97 103 A A H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.862 100.6 54.0 -58.1 -38.4 -8.5 24.9 -2.7 98 104 A E H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 109.6 47.4 -65.2 -38.8 -10.2 23.6 0.4 99 105 A H H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.895 110.2 51.5 -67.7 -40.0 -8.8 26.4 2.4 100 106 A S H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.930 111.9 47.3 -62.3 -43.2 -9.8 29.2 -0.1 101 107 A H H X S+ 0 0 92 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.915 112.9 49.3 -63.5 -42.7 -13.4 27.9 -0.2 102 108 A S H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.944 111.1 48.4 -62.1 -46.5 -13.5 27.7 3.6 103 109 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.892 107.5 55.9 -62.7 -41.5 -12.1 31.3 3.9 104 110 A A H X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.883 106.8 51.4 -57.5 -36.0 -14.7 32.5 1.4 105 111 A Q H X S+ 0 0 87 -4,-1.7 4,-2.4 -3,-0.2 -2,-0.2 0.878 110.5 47.4 -70.0 -36.9 -17.4 31.1 3.6 106 112 A I H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.919 111.0 52.0 -65.2 -44.9 -16.0 32.8 6.6 107 113 A E H < S+ 0 0 33 -4,-2.7 4,-0.4 2,-0.2 3,-0.2 0.898 116.3 39.3 -59.5 -44.2 -15.8 36.1 4.7 108 114 A A H >< S+ 0 0 85 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.911 115.3 54.6 -72.0 -41.3 -19.4 35.9 3.5 109 115 A G H 3< S+ 0 0 15 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.687 99.4 60.5 -67.3 -21.2 -20.5 34.6 6.9 110 116 A R T >< S- 0 0 34 -4,-1.5 3,-1.9 -3,-0.2 2,-0.3 0.613 78.3-167.1 -85.0 -14.4 -19.0 37.5 9.0 111 117 A G T < S- 0 0 44 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.0 -0.472 70.3 -28.6 62.4-119.9 -21.0 40.4 7.4 112 118 A D T 3 S+ 0 0 146 -2,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.326 104.5 121.1-111.6 5.9 -19.4 43.6 8.5 113 119 A I < - 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