==== 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 3RV6 . 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 . 830 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 72.2 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 . 261 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 . 55 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 0 0 0 2 2 0 2 5 4 0 0 1 0 0 0 0 1 0 1 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 . 5 2 3 11 8 8 2 0 2 0 0 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 126 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.6 -26.3 30.5 11.9 2 16 A S + 0 0 60 1,-0.2 134,-2.6 133,-0.1 2,-0.3 0.353 360.0 56.9 -85.0 5.0 -24.2 33.3 13.5 3 17 A S E -A 135 0A 70 132,-0.2 132,-0.2 130,-0.0 -1,-0.2 -0.893 68.8-175.2-139.4 101.3 -22.9 30.8 16.1 4 18 A I E -A 134 0A 29 130,-2.4 130,-2.4 -2,-0.3 2,-0.1 -0.871 31.9-117.1 -97.1 123.7 -21.2 27.6 14.7 5 19 A P E -A 133 0A 106 0, 0.0 128,-0.2 0, 0.0 127,-0.1 -0.421 29.4-116.0 -67.0 137.5 -20.2 25.1 17.4 6 20 A M - 0 0 18 126,-1.2 3,-0.1 125,-0.1 123,-0.0 -0.667 30.7-121.6 -75.4 117.8 -16.4 24.5 17.6 7 21 A P > - 0 0 48 0, 0.0 3,-1.1 0, 0.0 2,-0.1 -0.267 31.4-103.0 -61.1 145.2 -15.5 20.9 16.6 8 22 A A T 3 S+ 0 0 106 1,-0.2 3,-0.1 3,-0.0 123,-0.0 -0.421 105.7 24.6 -67.7 143.0 -13.6 18.9 19.3 9 23 A G T 3 S+ 0 0 88 1,-0.2 2,-0.6 -2,-0.1 -1,-0.2 0.077 90.7 119.5 88.5 -22.4 -9.8 18.6 18.6 10 24 A V < - 0 0 50 -3,-1.1 -1,-0.2 121,-0.1 141,-0.0 -0.681 63.3-135.9 -78.4 118.4 -9.7 21.7 16.5 11 25 A N > - 0 0 74 -2,-0.6 4,-2.2 1,-0.1 3,-0.4 -0.628 5.2-140.9 -75.4 125.5 -7.3 24.2 18.1 12 26 A P H > S+ 0 0 15 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.858 100.2 54.6 -58.7 -34.4 -8.9 27.8 18.1 13 27 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.870 110.8 46.3 -65.5 -38.0 -5.5 29.5 17.3 14 28 A D H > S+ 0 0 20 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.922 115.5 44.9 -70.6 -43.8 -5.0 27.3 14.2 15 29 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.922 114.2 48.5 -66.7 -45.4 -8.6 27.8 13.0 16 30 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.897 114.8 45.1 -61.5 -43.2 -8.5 31.6 13.6 17 31 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.900 113.5 49.7 -70.2 -38.7 -5.1 32.1 11.8 18 32 A E H X S+ 0 0 2 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.904 108.4 53.9 -65.3 -39.3 -6.2 29.8 8.9 19 33 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.884 105.7 53.2 -60.3 -40.1 -9.4 31.8 8.6 20 34 A A H X S+ 0 0 0 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.930 114.2 42.2 -60.4 -47.1 -7.3 35.1 8.4 21 35 A A H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 118.8 45.0 -65.8 -45.5 -5.3 33.5 5.5 22 36 A V H >< S+ 0 0 14 -4,-3.1 3,-1.6 1,-0.2 4,-0.3 0.918 109.2 51.3 -68.3 -52.0 -8.4 32.0 3.7 23 37 A V H 3< S+ 0 0 3 -4,-3.0 4,-0.4 1,-0.3 -1,-0.2 0.761 119.8 39.5 -60.9 -20.7 -10.8 35.0 3.9 24 38 A T T 3< S+ 0 0 21 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.164 82.5 102.4-113.1 16.6 -8.1 37.2 2.4 25 39 A E S < S+ 0 0 111 -3,-1.6 -1,-0.1 1,-0.1 -2,-0.1 0.832 107.3 6.7 -70.9 -29.0 -6.6 34.8 -0.2 26 40 A S S S+ 0 0 106 -4,-0.3 2,-1.1 1,-0.2 -2,-0.1 0.691 123.6 67.2-117.7 -44.6 -8.4 36.5 -3.1 27 41 A V S S- 0 0 63 -4,-0.4 2,-2.5 1,-0.1 -1,-0.2 -0.706 80.1-151.7 -80.6 99.5 -10.0 39.6 -1.4 28 42 A D + 0 0 136 -2,-1.1 2,-0.2 -3,-0.1 -1,-0.1 -0.316 41.9 144.6 -74.3 59.4 -6.7 41.3 -0.6 29 43 A E - 0 0 21 -2,-2.5 2,-0.1 -6,-0.1 -2,-0.0 -0.592 49.8-107.3 -99.3 164.1 -8.0 43.1 2.5 30 44 A D + 0 0 34 -2,-0.2 15,-2.8 14,-0.1 2,-0.3 -0.374 39.3 174.8 -83.2 163.0 -6.4 44.0 5.8 31 45 A Y E -BC 44 226A 2 195,-2.6 195,-2.6 13,-0.2 2,-0.3 -0.986 23.9-149.1-161.1 166.8 -7.0 42.2 9.1 32 46 A L E -BC 43 225A 0 11,-2.2 11,-3.2 -2,-0.3 2,-0.5 -0.958 8.0-161.6-147.4 124.3 -6.1 41.9 12.7 33 47 A L E -BC 42 224A 0 191,-4.0 191,-1.9 -2,-0.3 2,-0.5 -0.935 13.2-173.7-106.6 123.0 -6.4 38.8 14.8 34 48 A Y E -BC 41 223A 0 7,-2.7 7,-2.8 -2,-0.5 2,-0.6 -0.969 14.8-152.3-122.8 119.4 -6.3 39.3 18.6 35 49 A E E +BC 40 222A 12 187,-2.9 187,-1.0 -2,-0.5 2,-0.4 -0.803 25.1 167.9 -90.3 120.8 -6.2 36.5 21.2 36 50 A C E > -BC 39 221A 15 3,-3.1 3,-1.2 -2,-0.6 185,-0.1 -0.910 63.9 -31.6-140.3 107.6 -7.8 37.8 24.5 37 51 A D T 3 S- 0 0 128 183,-0.6 3,-0.1 -2,-0.4 184,-0.1 0.907 127.0 -39.0 49.3 56.8 -8.7 35.4 27.4 38 52 A G T 3 S+ 0 0 35 1,-0.2 2,-0.5 92,-0.1 93,-0.4 0.417 118.6 109.2 77.5 1.4 -9.5 32.3 25.2 39 53 A Q E < -B 36 0A 61 -3,-1.2 -3,-3.1 91,-0.1 2,-0.8 -0.957 52.6-160.2-110.9 122.3 -11.2 34.4 22.5 40 54 A W E -BD 35 129A 15 89,-3.0 89,-2.5 -2,-0.5 2,-0.7 -0.889 14.9-163.5 -99.8 105.3 -9.4 34.7 19.1 41 55 A V E -BD 34 128A 5 -7,-2.8 -7,-2.7 -2,-0.8 2,-0.7 -0.844 5.0-162.5 -97.1 112.4 -11.1 37.8 17.6 42 56 A L E -BD 33 127A 1 85,-3.3 85,-2.2 -2,-0.7 2,-0.7 -0.879 0.9-164.9 -94.4 113.8 -10.5 38.1 13.8 43 57 A A E -BD 32 126A 0 -11,-3.2 -11,-2.2 -2,-0.7 2,-0.5 -0.902 18.1-166.1 -98.6 103.8 -11.3 41.7 12.7 44 58 A A E -BD 31 125A 0 81,-3.4 81,-2.2 -2,-0.7 80,-0.9 -0.893 41.1 -0.3-108.3 126.3 -11.5 41.3 8.9 45 59 A G E S- 0 0 0 -15,-2.8 79,-1.3 -2,-0.5 2,-0.7 0.312 78.5 -92.6 81.1 150.1 -11.5 44.1 6.3 46 60 A V E + D 0 123A 33 77,-0.2 3,-0.2 1,-0.2 -1,-0.1 -0.864 38.9 168.0-103.4 113.7 -11.3 47.9 6.9 47 61 A Q E S- 0 0 65 75,-2.7 15,-0.6 -2,-0.7 2,-0.3 0.880 79.9 -4.5 -83.9 -45.8 -14.6 49.8 7.1 48 62 A A E -ED 61 122A 0 74,-1.2 74,-2.3 13,-0.1 2,-0.4 -0.975 68.9-151.1-150.1 142.2 -13.0 52.9 8.4 49 63 A M E -ED 60 121A 14 11,-2.8 11,-2.7 -2,-0.3 2,-0.5 -0.958 3.0-160.0-121.7 130.0 -9.3 53.7 9.4 50 64 A V E -ED 59 120A 0 70,-3.4 70,-2.4 -2,-0.4 2,-0.6 -0.944 12.3-171.9-106.4 120.6 -8.0 56.2 12.0 51 65 A E E -ED 58 119A 36 7,-3.2 7,-2.7 -2,-0.5 2,-0.6 -0.949 1.7-171.1-116.3 108.9 -4.3 57.1 11.3 52 66 A L E +ED 57 118A 0 66,-2.5 65,-3.0 -2,-0.6 66,-2.1 -0.906 10.6 173.2-100.0 118.2 -2.6 59.2 14.0 53 67 A D E - D 0 116A 6 3,-3.4 3,-0.3 -2,-0.6 -2,-0.0 -0.722 48.3-100.0-112.8 171.1 0.8 60.6 13.1 54 68 A S S S+ 0 0 26 61,-2.2 16,-0.1 -2,-0.2 3,-0.1 0.828 122.2 21.6 -59.2 -34.0 3.0 63.0 15.1 55 69 A D S S+ 0 0 45 1,-0.1 2,-0.3 60,-0.1 -1,-0.2 0.315 125.6 40.2-116.2 -0.4 1.9 66.0 12.8 56 70 A E - 0 0 40 -3,-0.3 -3,-3.4 13,-0.1 2,-0.4 -0.996 53.1-152.1-154.8 148.6 -1.4 64.8 11.3 57 71 A L E -EF 52 68A 11 11,-2.9 11,-1.9 -2,-0.3 2,-0.4 -0.995 21.5-172.3-120.1 125.4 -4.6 62.9 12.0 58 72 A R E -EF 51 67A 28 -7,-2.7 -7,-3.2 -2,-0.4 2,-0.5 -0.963 13.2-166.3-120.5 139.7 -6.3 61.1 9.0 59 73 A V E -EF 50 66A 50 7,-2.1 7,-2.5 -2,-0.4 2,-0.5 -0.999 12.4-167.6-123.7 116.1 -9.7 59.4 8.9 60 74 A I E +EF 49 65A 41 -11,-2.7 -11,-2.8 -2,-0.5 2,-0.3 -0.972 18.2 154.5-114.5 119.5 -10.1 57.2 5.8 61 75 A R E > -EF 48 64A 99 3,-2.4 3,-1.5 -2,-0.5 -13,-0.1 -0.979 64.6 -4.2-149.6 129.7 -13.6 55.9 5.0 62 76 A D T 3 S- 0 0 132 -15,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.881 128.2 -53.8 54.0 48.3 -15.2 54.8 1.6 63 77 A G T 3 S+ 0 0 81 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.530 116.1 115.2 66.8 8.7 -12.1 55.7 -0.4 64 78 A V E < -F 61 0A 101 -3,-1.5 -3,-2.4 2,-0.0 2,-0.4 -0.957 50.5-158.0-114.9 125.6 -12.1 59.3 1.0 65 79 A T E -F 60 0A 56 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.893 2.0-164.5-101.4 129.7 -9.3 60.7 3.3 66 80 A R E -F 59 0A 61 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.4 -0.975 15.2-167.5-111.7 121.0 -10.0 63.6 5.7 67 81 A R E +F 58 0A 167 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.905 13.7 157.8-112.0 145.5 -6.7 65.1 6.9 68 82 A Q E -F 57 0A 115 -11,-1.9 -11,-2.9 -2,-0.4 2,-0.2 -0.988 38.9-109.7-160.1 161.3 -6.2 67.6 9.8 69 83 A Q - 0 0 135 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.1 -0.536 33.1-156.3 -85.7 154.9 -3.7 69.0 12.2 70 84 A W - 0 0 40 -2,-0.2 2,-0.3 -16,-0.1 7,-0.0 -0.967 7.5-167.8-133.2 150.9 -4.2 68.1 15.9 71 85 A S + 0 0 111 -2,-0.3 2,-0.2 2,-0.1 6,-0.1 -0.795 51.0 33.5-128.9 172.1 -3.0 69.9 19.1 72 86 A G S S- 0 0 46 -2,-0.3 -2,-0.1 517,-0.1 520,-0.0 -0.504 106.1 -9.4 81.1-152.7 -2.9 68.8 22.7 73 87 A R >> - 0 0 126 -2,-0.2 4,-1.5 1,-0.1 3,-0.5 -0.598 57.6-129.8 -85.2 142.5 -2.2 65.2 23.8 74 88 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.819 107.5 58.9 -60.5 -34.3 -2.2 62.3 21.4 75 89 A G H 3> S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.853 105.4 49.9 -60.2 -39.4 -4.6 60.2 23.6 76 90 A A H <> S+ 0 0 59 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.894 113.7 44.1 -69.0 -41.3 -7.2 63.1 23.3 77 91 A A H X S+ 0 0 13 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.903 118.9 43.7 -71.3 -40.1 -6.9 63.2 19.4 78 92 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.927 113.6 50.9 -67.7 -46.3 -7.0 59.4 19.1 79 93 A G H X S+ 0 0 6 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.892 109.1 51.3 -57.4 -45.6 -9.8 59.0 21.7 80 94 A E H X S+ 0 0 99 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.896 114.9 41.7 -60.1 -45.8 -12.0 61.6 19.8 81 95 A A H X S+ 0 0 10 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.901 116.6 48.0 -71.4 -39.3 -11.5 59.8 16.4 82 96 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.925 107.3 55.6 -67.8 -44.4 -11.9 56.3 17.9 83 97 A D H < S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.2 4,-0.2 0.867 107.4 52.0 -54.6 -38.2 -15.1 57.2 19.9 84 98 A R H >< S+ 0 0 159 -4,-1.3 3,-1.4 1,-0.2 4,-0.4 0.906 106.8 50.6 -65.8 -44.1 -16.6 58.4 16.5 85 99 A L H >< S+ 0 0 9 -4,-1.7 3,-0.8 1,-0.2 4,-0.2 0.868 110.3 53.5 -55.8 -40.2 -15.8 55.0 14.8 86 100 A L T 3< S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.412 83.0 84.9 -80.8 0.0 -17.5 53.4 17.8 87 101 A L T < S+ 0 0 131 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 0.844 111.0 19.1 -67.9 -32.2 -20.8 55.3 17.5 88 102 A E S < S+ 0 0 181 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.2 0.241 122.5 60.8-123.7 8.9 -22.0 52.8 14.9 89 103 A T - 0 0 14 -4,-0.2 3,-0.1 1,-0.1 274,-0.1 -0.950 67.9-137.8-136.3 152.9 -19.7 49.7 15.5 90 104 A D S S+ 0 0 95 -2,-0.3 273,-2.6 1,-0.2 2,-0.3 0.855 82.1 18.3 -77.8 -40.3 -19.2 47.5 18.5 91 105 A Q E -G 362 0A 22 271,-0.2 2,-0.3 32,-0.1 271,-0.2 -0.982 52.9-164.6-139.4 153.8 -15.4 47.2 18.3 92 106 A A E -G 361 0A 0 269,-2.2 269,-3.1 -2,-0.3 2,-0.3 -0.928 14.8-165.9-133.0 148.4 -12.2 48.8 16.9 93 107 A F E +GH 360 121A 0 28,-2.6 28,-3.3 -2,-0.3 2,-0.3 -0.951 24.9 100.9-134.0 159.9 -8.7 47.3 16.6 94 108 A G E -GH 359 120A 0 265,-2.1 265,-2.6 -2,-0.3 2,-0.3 -0.975 51.8 -70.8 165.8-153.8 -5.2 48.4 15.9 95 109 A W E -GH 358 119A 7 24,-2.4 24,-2.5 -2,-0.3 2,-0.4 -0.969 19.7-149.4-142.1 153.4 -1.8 49.3 17.2 96 110 A V E -GH 357 118A 1 261,-2.7 261,-2.6 -2,-0.3 22,-0.3 -0.989 24.0-129.1-125.0 128.8 -0.2 52.1 19.1 97 111 A A > - 0 0 0 20,-2.7 3,-1.3 -2,-0.4 4,-0.4 -0.358 22.1-115.9 -71.5 158.4 3.5 53.0 18.6 98 112 A F G > S+ 0 0 0 254,-2.5 3,-1.8 1,-0.2 4,-0.2 0.897 117.2 65.3 -56.3 -37.5 6.1 53.4 21.4 99 113 A E G > S+ 0 0 2 1,-0.3 3,-0.9 17,-0.3 4,-0.4 0.643 82.7 71.5 -63.2 -21.4 6.2 57.0 20.2 100 114 A F G < S+ 0 0 2 -3,-1.3 3,-0.4 17,-0.3 -1,-0.3 0.833 97.6 53.8 -62.0 -30.3 2.6 57.6 21.3 101 115 A G G < S+ 0 0 2 -3,-1.8 3,-0.3 -4,-0.4 4,-0.3 0.535 90.3 76.4 -81.3 -8.0 4.0 57.4 24.9 102 116 A V S X >S+ 0 0 0 -3,-0.9 5,-1.5 -4,-0.2 3,-1.3 0.752 75.8 70.9 -79.5 -29.8 6.7 60.1 24.5 103 117 A H G > 5S+ 0 0 4 -4,-0.4 3,-1.5 -3,-0.4 5,-0.2 0.857 93.9 58.4 -55.6 -40.7 4.6 63.3 24.7 104 118 A R G 3 5S+ 0 0 38 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.740 107.5 48.5 -58.5 -30.1 4.0 62.7 28.4 105 119 A Y G < 5S- 0 0 17 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.120 120.8-105.2-103.8 22.2 7.9 62.8 28.9 106 120 A G T < 5S+ 0 0 0 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.784 88.6 114.6 60.8 39.3 8.4 66.0 26.9 107 121 A L > < + 0 0 1 -5,-1.5 3,-1.3 1,-0.1 -4,-0.2 0.217 31.3 107.4-121.6 14.2 9.9 64.4 23.8 108 122 A Q G > S+ 0 0 32 1,-0.3 3,-1.6 -6,-0.2 484,-0.1 0.821 76.3 61.0 -59.4 -35.4 7.3 65.2 21.1 109 123 A Q G 3 S+ 0 0 40 482,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.674 95.4 64.4 -67.0 -17.5 9.6 67.8 19.5 110 124 A R G < S+ 0 0 85 -3,-1.3 2,-0.4 481,-0.1 -1,-0.3 0.494 80.7 100.1 -86.2 -1.3 12.1 64.9 18.9 111 125 A L S < S- 0 0 23 -3,-1.6 3,-0.1 -4,-0.2 4,-0.1 -0.722 73.7-129.3 -88.6 130.3 9.7 63.1 16.5 112 126 A A > - 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