==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 06-MAY-11 3RV9 . COMPND 2 MOLECULE: ISOCHORISMATE SYNTHASE/ISOCHORISMATE-PYRUVATE LYA . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.CHI,E.M.M.BULLOCH,A.MANOS-TURVEY,R.J.PAYNE,J.S.LOTT,TB STR . 1678 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1208 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 507 30.2 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 . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 26 1.5 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 . 116 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 401 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 0.9 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 0 3 1 3 1 4 6 7 0 4 3 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 11 12 2 25 20 8 4 3 1 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 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 15 A S 0 0 109 0, 0.0 2,-0.2 0, 0.0 136,-0.2 0.000 360.0 360.0 360.0 107.2 35.5 34.9 12.1 2 16 A S E -A 136 0A 67 134,-0.6 134,-2.7 137,-0.1 2,-0.3 -0.618 360.0-146.6 -89.3 147.9 32.0 34.6 10.6 3 17 A S E -A 135 0A 65 -2,-0.2 132,-0.2 132,-0.2 130,-0.0 -0.856 10.6-164.1-118.3 151.3 29.1 32.7 12.3 4 18 A I E -A 134 0A 39 130,-2.6 130,-2.5 -2,-0.3 2,-0.1 -0.998 31.5-115.4-128.3 128.5 26.1 30.7 11.0 5 19 A P E -A 133 0A 106 0, 0.0 128,-0.2 0, 0.0 127,-0.1 -0.418 37.1-105.8 -67.3 143.9 23.2 29.9 13.3 6 20 A M - 0 0 25 126,-1.7 125,-0.0 125,-0.1 4,-0.0 -0.555 37.0-114.6 -70.9 126.7 22.8 26.1 14.0 7 21 A P > - 0 0 49 0, 0.0 3,-1.1 0, 0.0 2,-0.1 -0.332 34.6-103.8 -63.3 145.4 19.8 24.6 12.2 8 22 A A T 3 S+ 0 0 104 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.408 102.3 21.9 -69.7 143.3 16.9 23.3 14.3 9 23 A G T 3 S+ 0 0 92 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.540 94.4 121.6 75.7 12.9 16.6 19.5 14.8 10 24 A V < - 0 0 37 -3,-1.1 -1,-0.2 121,-0.1 144,-0.0 -0.935 58.6-139.2-111.9 122.6 20.3 18.9 14.0 11 25 A N >> - 0 0 77 -2,-0.5 4,-1.9 1,-0.1 3,-0.6 -0.663 14.9-135.9 -75.5 127.4 22.7 17.3 16.5 12 26 A P H 3> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.796 103.9 56.2 -56.2 -31.0 26.2 19.1 16.4 13 27 A A H 3> S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.865 109.4 46.5 -65.9 -39.7 28.1 15.7 16.4 14 28 A D H <> S+ 0 0 18 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.886 115.6 44.4 -69.0 -43.5 26.2 14.7 13.3 15 29 A L H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.881 113.6 49.5 -69.5 -43.2 26.8 18.0 11.5 16 30 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.910 113.2 46.8 -64.1 -42.0 30.5 18.2 12.5 17 31 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.879 113.5 49.4 -66.6 -37.9 31.1 14.7 11.3 18 32 A E H X S+ 0 0 1 -4,-1.9 4,-3.2 2,-0.2 5,-0.4 0.850 110.0 50.4 -67.5 -40.0 29.2 15.4 8.0 19 33 A L H X>S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 5,-0.9 0.882 111.0 50.0 -64.4 -37.3 31.2 18.6 7.4 20 34 A A H <5S+ 0 0 0 -4,-1.9 4,-0.4 3,-0.2 5,-0.2 0.874 116.4 42.8 -68.0 -37.4 34.4 16.6 8.0 21 35 A A H X5S+ 0 0 16 -4,-1.8 4,-1.4 3,-0.1 -2,-0.2 0.975 124.6 29.9 -73.6 -56.0 33.2 14.0 5.5 22 36 A V H X5S+ 0 0 54 -4,-3.2 4,-2.2 2,-0.2 -3,-0.2 0.959 123.0 43.5 -73.4 -51.5 31.8 16.2 2.7 23 37 A V H X5S+ 0 0 1 -4,-1.4 4,-1.6 -5,-0.4 5,-0.2 0.950 118.5 43.4 -61.9 -49.4 34.0 19.3 2.9 24 38 A T H >XS+ 0 0 5 -5,-0.9 5,-1.6 -4,-0.4 4,-1.1 0.858 112.6 53.2 -66.6 -35.4 37.3 17.5 3.4 25 39 A E H <5S+ 0 0 69 -4,-1.4 -1,-0.2 -5,-0.2 3,-0.2 0.918 108.0 50.7 -64.5 -44.2 36.5 14.9 0.7 26 40 A S H <5S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 121.7 32.4 -61.2 -38.1 35.7 17.7 -1.9 27 41 A V H <5S- 0 0 19 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.452 105.9-132.8 -97.1 -6.6 39.0 19.5 -1.2 28 42 A D T <5 + 0 0 140 -4,-1.1 2,-0.2 -3,-0.2 -3,-0.2 0.877 52.2 147.4 55.1 53.5 40.8 16.1 -0.5 29 43 A E < - 0 0 25 -5,-1.6 -1,-0.2 -6,-0.1 2,-0.1 -0.717 50.7-107.9-118.4 160.3 42.5 17.3 2.7 30 44 A D + 0 0 48 -2,-0.2 15,-2.7 14,-0.1 2,-0.3 -0.463 43.4 170.8 -80.4 157.4 43.6 15.9 6.1 31 45 A Y E -BC 44 226A 2 195,-2.8 195,-2.5 13,-0.2 2,-0.3 -0.989 29.5-147.5-159.6 167.2 41.6 16.8 9.2 32 46 A L E -BC 43 225A 0 11,-1.9 11,-3.1 -2,-0.3 2,-0.5 -0.973 11.9-160.6-144.3 123.0 41.1 16.3 13.0 33 47 A L E -BC 42 224A 0 191,-3.8 191,-1.8 -2,-0.3 2,-0.4 -0.928 13.3-172.0-104.5 124.0 37.6 16.7 14.6 34 48 A Y E -BC 41 223A 0 7,-2.6 7,-3.2 -2,-0.5 2,-0.6 -0.982 14.0-153.0-123.7 124.4 37.8 17.1 18.4 35 49 A E E +BC 40 222A 14 187,-2.9 187,-1.0 -2,-0.4 2,-0.3 -0.867 24.7 164.5 -96.3 120.9 34.8 17.2 20.8 36 50 A C E > -B 39 0A 17 3,-3.0 3,-1.2 -2,-0.6 185,-0.1 -0.908 65.7 -30.5-143.4 107.9 35.5 19.2 23.9 37 51 A D T 3 S- 0 0 132 183,-0.4 3,-0.1 -2,-0.3 184,-0.1 0.914 126.1 -38.8 49.0 60.7 32.6 20.4 26.3 38 52 A G T 3 S+ 0 0 37 1,-0.2 2,-0.5 92,-0.1 93,-0.3 0.386 118.5 107.7 76.1 -2.5 29.8 20.8 23.8 39 53 A Q E < -B 36 0A 54 -3,-1.2 -3,-3.0 91,-0.1 2,-0.7 -0.940 52.5-161.3-109.5 127.1 32.2 22.2 21.1 40 54 A W E -BD 35 129A 16 89,-2.9 89,-2.9 -2,-0.5 2,-0.7 -0.945 14.2-161.9-106.0 104.7 33.1 20.1 18.0 41 55 A V E -BD 34 128A 5 -7,-3.2 -7,-2.6 -2,-0.7 2,-0.8 -0.855 4.8-160.5 -95.7 115.9 36.2 21.7 16.6 42 56 A L E -BD 33 127A 1 85,-3.2 85,-2.0 -2,-0.7 2,-0.9 -0.861 1.2-162.9 -96.6 108.7 37.0 20.7 13.0 43 57 A A E -BD 32 126A 0 -11,-3.1 -11,-1.9 -2,-0.8 2,-0.5 -0.859 19.1-167.1 -91.8 101.5 40.7 21.4 12.3 44 58 A A E +BD 31 125A 0 81,-2.8 81,-2.2 -2,-0.9 80,-1.2 -0.862 42.2 2.3-105.0 124.4 40.6 21.3 8.4 45 59 A G E S- 0 0 0 -15,-2.7 79,-0.9 -2,-0.5 2,-0.8 0.278 78.0 -95.4 83.6 147.0 43.7 21.2 6.2 46 60 A V E + D 0 123A 37 77,-0.2 3,-0.2 1,-0.2 -1,-0.1 -0.873 38.6 169.3-102.8 107.5 47.4 21.0 7.2 47 61 A Q E S- 0 0 46 75,-2.7 15,-0.5 -2,-0.8 2,-0.3 0.927 78.7 -8.8 -76.8 -47.4 49.0 24.4 7.3 48 62 A A E - D 0 122A 0 74,-1.2 74,-2.2 13,-0.2 2,-0.4 -0.979 68.6-149.4-150.4 145.0 52.2 23.0 9.1 49 63 A M E -ED 60 121A 15 11,-2.4 11,-2.9 -2,-0.3 2,-0.5 -0.986 2.3-158.2-126.1 131.6 52.9 19.6 10.6 50 64 A V E -ED 59 120A 0 70,-3.4 70,-2.4 -2,-0.4 2,-0.6 -0.934 11.5-170.0-105.6 120.7 55.2 18.6 13.5 51 65 A E E -ED 58 119A 44 7,-3.0 7,-2.5 -2,-0.5 2,-0.6 -0.951 0.7-169.0-114.3 110.6 56.4 15.0 13.5 52 66 A L E +ED 57 118A 0 66,-2.9 65,-3.3 -2,-0.6 66,-2.0 -0.901 13.1 171.9-102.3 116.6 58.1 13.8 16.6 53 67 A D E - D 0 116A 6 3,-3.1 3,-0.3 -2,-0.6 -2,-0.0 -0.746 48.6-101.7-115.9 164.4 59.8 10.4 16.2 54 68 A S S S+ 0 0 28 61,-2.1 16,-0.1 -2,-0.3 3,-0.1 0.812 122.1 25.4 -53.7 -36.0 62.1 8.6 18.7 55 69 A D S S+ 0 0 49 1,-0.2 2,-0.3 60,-0.1 -1,-0.2 0.400 126.6 27.4-111.6 -4.5 65.2 9.6 16.5 56 70 A E - 0 0 31 -3,-0.3 -3,-3.1 13,-0.1 2,-0.4 -0.990 52.7-146.5-159.9 152.8 64.1 12.8 14.7 57 71 A L E -EF 52 68A 10 11,-2.7 11,-2.5 -2,-0.3 2,-0.4 -0.994 25.0-171.6-122.3 126.5 61.8 15.9 14.8 58 72 A R E -EF 51 67A 25 -7,-2.5 -7,-3.0 -2,-0.4 2,-0.5 -0.950 14.8-161.6-122.1 142.8 60.5 17.1 11.5 59 73 A V E -EF 50 66A 36 7,-2.2 7,-2.7 -2,-0.4 2,-0.5 -0.994 13.1-168.3-123.3 115.3 58.5 20.3 10.6 60 74 A I E +EF 49 65A 38 -11,-2.9 -11,-2.4 -2,-0.5 2,-0.4 -0.951 14.9 161.9-112.4 118.0 56.7 20.1 7.2 61 75 A R E > S- F 0 64A 74 3,-2.0 3,-1.5 -2,-0.5 -13,-0.2 -0.978 71.4 -14.3-139.7 119.7 55.2 23.3 5.7 62 76 A D T 3 S- 0 0 117 -15,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.897 127.7 -51.7 54.2 50.1 54.3 23.7 2.0 63 77 A G T 3 S+ 0 0 72 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.244 111.3 122.0 75.8 -12.0 56.2 20.5 1.0 64 78 A V E < -F 61 0A 105 -3,-1.5 -3,-2.0 2,-0.0 2,-0.6 -0.763 47.6-159.6 -86.3 118.0 59.4 21.7 2.7 65 79 A T E -F 60 0A 62 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.880 4.3-166.9-100.9 116.4 60.6 19.2 5.3 66 80 A R E -F 59 0A 149 -7,-2.7 -7,-2.2 -2,-0.6 2,-0.4 -0.896 11.7-158.2-100.6 128.3 63.0 20.6 8.0 67 81 A R E +F 58 0A 154 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.896 12.6 178.2-111.8 139.7 64.7 17.8 10.0 68 82 A Q E -F 57 0A 51 -11,-2.5 -11,-2.7 -2,-0.4 2,-0.2 -0.997 25.2-133.8-141.0 145.0 66.3 18.1 13.5 69 83 A Q - 0 0 149 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.1 -0.614 30.4-166.7 -88.2 151.4 68.0 15.8 15.9 70 84 A W - 0 0 44 -2,-0.2 2,-0.3 -15,-0.2 -2,-0.0 -0.987 10.4-170.2-143.3 151.7 66.8 16.2 19.6 71 85 A S + 0 0 113 -2,-0.3 2,-0.2 2,-0.1 6,-0.1 -0.870 50.0 24.3-135.3 167.3 67.9 15.1 23.0 72 86 A G S S+ 0 0 54 -2,-0.3 -2,-0.1 4,-0.1 31,-0.0 -0.514 106.6 10.0 80.0-145.4 66.5 15.0 26.5 73 87 A R > - 0 0 110 -2,-0.2 4,-1.5 1,-0.1 3,-0.5 -0.506 58.7-142.8 -71.6 132.7 62.8 15.1 27.3 74 88 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.822 101.6 60.6 -65.1 -28.5 60.4 14.5 24.3 75 89 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.837 103.5 49.7 -63.9 -36.1 57.9 17.0 25.9 76 90 A A H > S+ 0 0 42 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.913 113.8 45.3 -68.3 -45.4 60.6 19.8 25.6 77 91 A A H X S+ 0 0 9 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.914 118.4 42.9 -65.4 -43.8 61.3 18.9 21.9 78 92 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.936 113.4 52.2 -68.1 -46.3 57.5 18.7 21.1 79 93 A G H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.890 107.8 51.1 -55.5 -46.5 56.7 21.9 23.2 80 94 A E H X S+ 0 0 132 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.915 115.4 41.6 -58.9 -48.6 59.3 24.0 21.4 81 95 A A H X S+ 0 0 9 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.898 116.0 48.9 -67.7 -42.9 58.0 22.9 17.9 82 96 A V H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.881 106.5 56.4 -65.7 -38.6 54.3 23.3 18.9 83 97 A D H < S+ 0 0 84 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.837 105.1 53.4 -61.1 -35.3 54.9 26.8 20.4 84 98 A R H >X S+ 0 0 85 -4,-1.2 3,-1.0 1,-0.2 4,-0.5 0.876 106.7 51.3 -66.0 -41.5 56.3 27.9 17.0 85 99 A L H >X S+ 0 0 4 -4,-1.3 4,-1.6 1,-0.2 3,-1.0 0.856 105.9 57.3 -61.6 -38.9 53.1 26.7 15.2 86 100 A L H 3< S+ 0 0 12 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.525 91.3 68.0 -74.9 -6.6 51.1 28.7 17.7 87 101 A L H <4 S+ 0 0 146 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.784 111.9 35.0 -76.8 -29.9 52.8 32.0 16.8 88 102 A E H << S+ 0 0 127 -3,-1.0 2,-0.3 -4,-0.5 -2,-0.2 0.769 126.5 30.1 -92.7 -38.6 51.0 31.7 13.4 89 103 A T < - 0 0 14 -4,-1.6 -1,-0.2 1,-0.1 35,-0.0 -0.928 69.6-128.5-127.3 155.5 47.7 30.1 14.4 90 104 A D S S+ 0 0 99 -2,-0.3 276,-2.8 275,-0.1 2,-0.3 0.794 91.0 29.9 -67.8 -35.7 45.4 30.2 17.5 91 105 A Q E -G 365 0A 19 274,-0.2 2,-0.3 32,-0.1 274,-0.2 -0.940 56.9-167.0-133.9 153.3 45.1 26.4 17.8 92 106 A A E -G 364 0A 0 272,-2.0 272,-3.1 -2,-0.3 2,-0.3 -0.942 13.7-168.5-134.9 147.6 47.1 23.1 17.0 93 107 A F E +GH 363 121A 0 28,-2.6 28,-3.3 -2,-0.3 2,-0.3 -0.966 22.7 103.7-139.2 156.8 45.8 19.5 17.0 94 108 A G E -GH 362 120A 0 268,-2.0 268,-2.7 -2,-0.3 2,-0.3 -0.988 52.3 -72.8 167.8-159.3 47.1 16.0 16.9 95 109 A W E -GH 361 119A 7 24,-2.0 24,-2.5 -2,-0.3 2,-0.4 -0.942 21.5-150.8-134.1 152.1 47.9 12.8 18.7 96 110 A V E -GH 360 118A 0 264,-3.1 264,-2.6 -2,-0.3 22,-0.3 -0.992 24.8-129.3-123.2 126.9 50.6 11.7 21.1 97 111 A A > - 0 0 0 20,-3.2 3,-1.4 -2,-0.4 4,-0.4 -0.372 20.7-115.4 -74.5 159.9 51.6 8.0 21.1 98 112 A F G > S+ 0 0 0 257,-2.4 3,-1.9 259,-0.3 -1,-0.1 0.894 116.3 67.0 -56.0 -38.4 51.9 5.7 24.1 99 113 A E G > S+ 0 0 2 1,-0.3 3,-1.3 17,-0.2 4,-0.3 0.649 82.5 72.8 -59.0 -22.2 55.6 5.7 23.3 100 114 A F G < S+ 0 0 1 -3,-1.4 3,-0.4 17,-0.4 -1,-0.3 0.769 94.9 54.2 -63.0 -29.6 56.0 9.4 24.2 101 115 A G G < S+ 0 0 1 -3,-1.9 -1,-0.2 -4,-0.4 4,-0.2 0.265 88.1 79.1 -90.6 10.4 55.6 8.5 27.9 102 116 A V S X >S+ 0 0 0 -3,-1.3 5,-2.0 2,-0.1 3,-0.7 0.728 77.8 67.9 -91.7 -23.9 58.5 5.9 28.0 103 117 A H G > 5S+ 0 0 20 -3,-0.4 3,-1.9 -4,-0.3 5,-0.3 0.860 92.3 60.9 -62.7 -40.8 61.4 8.3 28.3 104 118 A R G 3 5S+ 0 0 93 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.749 106.0 48.1 -58.7 -29.5 60.4 9.4 31.8 105 119 A Y G < 5S- 0 0 51 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.232 123.1-103.2-100.5 14.6 60.8 5.8 33.0 106 120 A G T < 5S+ 0 0 47 -3,-1.9 3,-0.2 1,-0.0 -3,-0.2 0.735 88.0 119.2 71.2 32.0 64.2 5.3 31.4 107 121 A L > < + 0 0 11 -5,-2.0 3,-1.3 1,-0.1 4,-0.4 0.170 25.9 112.7-112.3 14.6 63.0 3.2 28.4 108 122 A Q G > S+ 0 0 112 -5,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.766 73.6 62.4 -56.8 -30.6 64.0 5.4 25.4 109 123 A Q G 3 S+ 0 0 135 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.711 91.8 64.5 -71.1 -22.0 66.5 2.7 24.3 110 124 A R G < S+ 0 0 102 -3,-1.3 2,-0.3 2,-0.0 -1,-0.2 0.647 82.1 100.1 -75.7 -17.4 63.8 0.0 23.7 111 125 A L S < S- 0 0 24 -3,-1.0 3,-0.1 -4,-0.4 4,-0.0 -0.570 73.2-129.0 -78.6 131.5 62.3 2.1 20.9 112 126 A A > - 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