==== 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 3RV7 . 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 . 1698 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1218 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 518 30.5 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 27 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 110 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 409 24.1 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 1 0 1 4 0 0 4 5 4 8 0 3 4 0 0 1 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 11 6 4 25 23 9 4 1 3 0 0 3 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 1 1 0 0 0 0 0 0 0 0 2 1 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 0 105 0, 0.0 2,-0.3 0, 0.0 136,-0.2 0.000 360.0 360.0 360.0 149.3 61.5 -24.9 20.9 2 16 A S E -A 136 0A 57 134,-1.0 134,-2.6 2,-0.0 2,-0.3 -0.898 360.0-161.5-132.4 167.2 64.3 -23.1 19.3 3 17 A S E -A 135 0A 69 -2,-0.3 132,-0.2 132,-0.2 130,-0.0 -0.982 19.1-170.4-150.5 159.7 66.0 -19.9 20.5 4 18 A I E -A 134 0A 54 130,-1.9 130,-0.6 -2,-0.3 -2,-0.0 -0.803 39.9-109.0-153.7 99.9 68.2 -16.9 19.4 5 19 A P E -A 133 0A 104 0, 0.0 128,-0.3 0, 0.0 127,-0.1 0.195 36.1-102.5 -32.4 148.5 69.5 -14.6 22.1 6 20 A M - 0 0 22 126,-1.6 2,-0.1 125,-0.1 3,-0.1 -0.625 33.8-118.1 -82.6 130.0 68.2 -11.1 22.3 7 21 A P > - 0 0 54 0, 0.0 3,-0.9 0, 0.0 2,-0.1 -0.404 34.0-107.8 -67.3 141.2 70.2 -8.3 20.9 8 22 A A T 3 S+ 0 0 102 1,-0.2 3,-0.1 -2,-0.1 123,-0.0 -0.400 99.1 30.4 -70.7 144.4 71.4 -5.8 23.4 9 23 A G T 3 S+ 0 0 86 1,-0.3 2,-0.5 -2,-0.1 -1,-0.2 0.544 94.2 112.0 87.9 4.7 69.8 -2.3 23.3 10 24 A V < - 0 0 35 -3,-0.9 -1,-0.3 121,-0.1 144,-0.0 -0.967 63.4-136.0-118.5 125.8 66.6 -3.6 22.1 11 25 A N > - 0 0 76 -2,-0.5 4,-2.0 1,-0.1 3,-0.3 -0.617 10.7-135.9 -77.9 129.6 63.6 -3.6 24.2 12 26 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.802 102.6 52.1 -60.2 -36.4 61.4 -6.7 24.1 13 27 A A H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.871 111.4 47.4 -64.0 -41.7 58.1 -4.9 23.8 14 28 A D H > S+ 0 0 22 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.874 114.9 46.1 -65.8 -42.6 59.3 -3.0 20.9 15 29 A L H X S+ 0 0 9 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.841 112.2 49.2 -67.2 -42.0 60.7 -6.0 19.2 16 30 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.884 113.3 47.9 -64.4 -43.1 57.6 -8.1 19.8 17 31 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.863 110.8 50.8 -65.1 -38.6 55.4 -5.4 18.5 18 32 A E H X S+ 0 0 6 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.823 108.4 52.8 -64.8 -37.4 57.6 -5.0 15.4 19 33 A L H X S+ 0 0 5 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.841 106.5 52.9 -66.0 -37.2 57.4 -8.6 14.8 20 34 A A H X S+ 0 0 1 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.911 112.6 44.6 -62.5 -44.1 53.7 -8.4 15.0 21 35 A A H X S+ 0 0 9 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.924 115.3 47.8 -62.6 -46.2 53.8 -5.7 12.4 22 36 A V H X S+ 0 0 23 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.901 110.9 47.7 -63.9 -47.6 56.3 -7.5 10.2 23 37 A V H X>S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 5,-0.6 0.820 111.9 54.7 -62.7 -34.9 54.6 -10.9 10.2 24 38 A T H X5S+ 0 0 36 -4,-1.2 4,-1.0 -5,-0.3 -2,-0.2 0.890 105.2 50.8 -64.6 -43.5 51.4 -9.1 9.4 25 39 A E H <5S+ 0 0 111 -4,-1.8 1642,-0.3 1,-0.1 -2,-0.2 0.976 121.9 32.3 -61.4 -49.7 52.9 -7.4 6.4 26 40 A S H <5S+ 0 0 19 -4,-2.1 1482,-0.6 1,-0.1 -2,-0.2 0.916 132.5 22.4 -74.9 -47.6 54.2 -10.6 5.0 27 41 A V H <5S- 0 0 7 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.1 0.645 84.3-140.0-106.1 -9.7 51.8 -13.3 6.0 28 42 A D << + 0 0 22 -4,-1.0 2,-0.2 -5,-0.6 -4,-0.2 0.860 48.2 150.5 56.6 46.7 48.6 -11.4 6.7 29 43 A E - 0 0 22 -6,-0.3 2,-0.2 1,-0.1 -1,-0.2 -0.648 49.5-104.9-114.4 157.7 47.6 -13.4 9.7 30 44 A D + 0 0 24 -2,-0.2 15,-2.7 14,-0.1 2,-0.3 -0.522 44.7 171.3 -74.0 147.7 45.7 -12.9 12.9 31 45 A Y E -BC 44 226A 10 195,-2.2 195,-2.6 13,-0.2 2,-0.3 -0.975 28.4-151.5-153.7 162.4 47.7 -12.7 16.1 32 46 A L E -BC 43 225A 0 11,-1.8 11,-2.6 -2,-0.3 2,-0.6 -0.943 11.3-160.7-140.2 122.9 47.6 -11.9 19.8 33 47 A L E -BC 42 224A 0 191,-3.6 191,-2.0 -2,-0.3 2,-0.4 -0.898 12.5-175.2-104.8 122.2 50.6 -10.6 21.7 34 48 A Y E -BC 41 223A 1 7,-2.6 7,-3.1 -2,-0.6 2,-0.6 -0.963 14.5-152.3-119.7 128.4 50.5 -11.1 25.4 35 49 A E E +BC 40 222A 14 187,-2.6 187,-1.0 -2,-0.4 2,-0.3 -0.892 25.5 162.2-100.2 122.0 53.0 -9.7 27.9 36 50 A C E > -B 39 0A 16 3,-2.8 3,-1.1 -2,-0.6 185,-0.1 -0.905 64.2 -24.9-145.2 110.5 53.3 -11.8 31.1 37 51 A D T 3 S- 0 0 132 183,-0.4 3,-0.1 -2,-0.3 184,-0.1 0.903 126.4 -42.0 57.0 47.9 56.2 -11.7 33.6 38 52 A G T 3 S+ 0 0 38 1,-0.2 2,-0.5 92,-0.1 93,-0.3 0.390 117.6 107.7 81.7 -1.9 58.8 -10.4 31.3 39 53 A Q E < -B 36 0A 47 -3,-1.1 -3,-2.8 91,-0.1 2,-0.7 -0.918 53.5-158.6-108.2 128.5 57.8 -12.6 28.4 40 54 A W E -BD 35 129A 19 89,-2.3 89,-2.2 -2,-0.5 2,-0.7 -0.919 16.1-162.3-102.1 107.4 56.1 -11.1 25.4 41 55 A V E -BD 34 128A 5 -7,-3.1 -7,-2.6 -2,-0.7 2,-0.7 -0.824 6.7-162.8 -98.9 117.5 54.3 -14.0 23.7 42 56 A L E -BD 33 127A 2 85,-3.2 85,-2.1 -2,-0.7 2,-0.8 -0.855 3.2-161.5 -95.1 115.4 53.3 -13.6 20.2 43 57 A A E -BD 32 126A 0 -11,-2.6 -11,-1.8 -2,-0.7 2,-0.5 -0.874 17.7-165.5 -98.2 109.0 50.7 -16.1 19.2 44 58 A A E +BD 31 125A 0 81,-2.3 81,-1.9 -2,-0.8 80,-0.7 -0.856 42.2 1.0-110.9 121.7 50.8 -16.0 15.5 45 59 A G E S- 0 0 2 -15,-2.7 2,-0.7 -2,-0.5 79,-0.6 0.210 73.6-100.5 89.5 150.3 48.2 -17.5 13.2 46 60 A V E + D 0 123A 30 77,-0.2 16,-0.2 1,-0.2 3,-0.2 -0.902 37.6 167.0-111.7 104.8 45.0 -19.3 14.0 47 61 A Q E S+ 0 0 51 75,-2.0 15,-0.5 -2,-0.7 2,-0.3 0.921 80.0 3.7 -70.3 -53.4 45.2 -23.0 13.8 48 62 A A E -ED 61 122A 0 74,-1.2 74,-2.4 -3,-0.2 2,-0.4 -0.992 69.7-156.6-134.1 134.0 41.9 -23.4 15.6 49 63 A M E -ED 60 121A 16 11,-2.5 11,-3.0 -2,-0.3 2,-0.6 -0.922 1.2-160.5-112.0 131.3 39.4 -20.8 16.8 50 64 A V E -ED 59 120A 0 70,-2.7 70,-2.0 -2,-0.4 2,-0.6 -0.927 9.5-170.0-103.7 119.8 36.8 -21.3 19.5 51 65 A E E -ED 58 119A 43 7,-3.4 7,-2.8 -2,-0.6 2,-0.6 -0.929 1.4-168.9-111.4 117.3 34.0 -18.8 19.4 52 66 A L E +ED 57 118A 0 66,-2.5 65,-3.6 -2,-0.6 66,-1.8 -0.904 14.3 167.2-106.5 125.1 31.7 -18.7 22.4 53 67 A D E - D 0 116A 4 3,-2.9 -2,-0.0 -2,-0.6 66,-0.0 -0.662 50.3 -98.5-125.8 171.7 28.6 -16.7 22.0 54 68 A S S S+ 0 0 30 61,-1.6 16,-0.1 -2,-0.2 3,-0.1 0.847 122.2 27.3 -65.0 -37.6 25.4 -16.5 24.0 55 69 A D S S+ 0 0 25 1,-0.2 2,-0.3 60,-0.1 15,-0.3 0.587 127.2 21.3 -97.5 -17.7 23.5 -18.9 21.8 56 70 A E - 0 0 7 13,-0.1 -3,-2.9 2,-0.0 2,-0.4 -0.999 52.2-143.1-153.0 152.7 26.3 -20.9 20.3 57 71 A L E -EF 52 68A 1 11,-2.5 11,-2.0 -2,-0.3 2,-0.4 -0.984 25.5-169.1-113.6 131.9 29.9 -22.2 20.5 58 72 A R E -EF 51 67A 29 -7,-2.8 -7,-3.4 -2,-0.4 2,-0.5 -0.939 15.0-162.7-121.4 140.1 31.9 -22.6 17.3 59 73 A V E -EF 50 66A 22 7,-2.1 7,-2.1 -2,-0.4 2,-0.6 -0.977 14.5-166.2-116.3 118.0 35.1 -24.2 16.6 60 74 A I E +EF 49 65A 39 -11,-3.0 -11,-2.5 -2,-0.5 2,-0.4 -0.911 13.9 166.0-112.3 116.3 36.6 -23.1 13.3 61 75 A R E > -EF 48 64A 105 3,-2.1 3,-1.7 -2,-0.6 -13,-0.1 -0.986 69.9 -14.0-130.2 123.8 39.5 -25.1 11.8 62 76 A D T 3 S- 0 0 54 -15,-0.5 3,-0.1 -2,-0.4 1239,-0.1 0.793 127.0 -53.8 59.5 33.6 40.7 -24.7 8.3 63 77 A G T 3 S+ 0 0 28 1,-0.2 2,-0.6 1237,-0.1 -1,-0.3 0.328 112.6 121.2 85.9 -6.3 37.7 -22.7 7.2 64 78 A V E < -F 61 0A 63 -3,-1.7 -3,-2.1 1371,-0.1 2,-0.5 -0.790 51.3-152.3 -95.1 121.3 35.4 -25.4 8.5 65 79 A T E -F 60 0A 57 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.816 9.1-168.5 -98.9 129.9 33.0 -24.4 11.1 66 80 A R E -F 59 0A 89 -7,-2.1 -7,-2.1 -2,-0.5 2,-0.2 -0.941 14.4-154.2-116.5 109.1 31.6 -26.8 13.7 67 81 A R E -F 58 0A 54 -2,-0.5 422,-2.4 420,-0.4 2,-0.4 -0.546 9.5-167.2 -85.6 148.1 28.7 -25.4 15.7 68 82 A Q E -Fg 57 489A 48 -11,-2.0 -11,-2.5 420,-0.3 2,-0.3 -0.999 18.1-138.0-138.8 133.1 27.7 -26.4 19.2 69 83 A Q - 0 0 9 420,-2.7 2,-0.3 -2,-0.4 422,-0.2 -0.648 29.2-171.6 -74.2 140.2 24.7 -26.0 21.4 70 84 A W - 0 0 30 -15,-0.3 2,-0.3 -2,-0.3 422,-0.0 -0.994 11.3-179.5-137.4 148.5 25.7 -25.2 25.0 71 85 A S + 0 0 52 -2,-0.3 2,-0.3 2,-0.1 6,-0.1 -0.890 49.8 23.8-133.6 166.7 23.7 -24.9 28.2 72 86 A G S S+ 0 0 42 -2,-0.3 -2,-0.1 424,-0.1 31,-0.0 -0.583 106.3 9.0 86.3-146.5 24.7 -24.2 31.7 73 87 A R > - 0 0 103 -2,-0.3 4,-1.2 1,-0.1 3,-0.3 -0.593 59.8-139.3 -73.8 136.9 27.7 -22.3 32.8 74 88 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.809 101.7 62.6 -64.4 -31.8 29.7 -20.6 30.0 75 89 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.856 100.9 50.4 -62.6 -39.3 32.9 -21.6 31.8 76 90 A A H > S+ 0 0 35 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.877 112.8 46.5 -64.0 -43.0 32.1 -25.2 31.3 77 91 A A H X S+ 0 0 16 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.887 116.3 43.5 -65.9 -45.0 31.4 -24.8 27.7 78 92 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.924 114.9 52.6 -63.2 -44.5 34.5 -22.7 27.1 79 93 A G H X S+ 0 0 5 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.879 106.4 50.0 -62.3 -42.8 36.5 -25.1 29.2 80 94 A E H X S+ 0 0 112 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.932 115.2 43.9 -62.8 -46.2 35.5 -28.2 27.4 81 95 A A H X S+ 0 0 8 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.837 113.3 49.6 -64.9 -43.2 36.4 -26.7 24.0 82 96 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.846 105.1 58.0 -64.4 -37.7 39.6 -25.1 25.1 83 97 A D H < S+ 0 0 78 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.848 104.7 53.6 -62.1 -36.2 40.8 -28.4 26.7 84 98 A R H >X S+ 0 0 96 -4,-1.0 3,-0.9 1,-0.2 4,-0.5 0.881 106.3 50.1 -64.8 -40.2 40.3 -29.9 23.3 85 99 A L H >X S+ 0 0 4 -4,-1.2 4,-1.5 1,-0.2 3,-1.4 0.892 104.6 59.9 -62.5 -39.4 42.5 -27.4 21.7 86 100 A L H 3< S+ 0 0 13 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.504 88.9 71.0 -73.8 -9.2 45.1 -28.0 24.3 87 101 A L H <4 S+ 0 0 150 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.838 110.1 32.7 -66.1 -36.3 45.3 -31.6 23.2 88 102 A E H << S+ 0 0 73 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.750 126.4 31.1 -92.9 -27.8 47.0 -30.4 20.0 89 103 A T < - 0 0 16 -4,-1.5 -1,-0.1 1,-0.1 35,-0.0 -0.945 69.5-128.2-134.3 155.6 48.9 -27.4 21.2 90 104 A D S S+ 0 0 99 -2,-0.3 273,-2.3 272,-0.1 2,-0.3 0.808 87.5 27.1 -67.7 -35.6 50.6 -26.2 24.4 91 105 A Q E -H 362 0A 22 271,-0.2 2,-0.3 32,-0.1 271,-0.2 -0.918 56.0-163.6-132.9 155.0 48.9 -22.8 24.7 92 106 A A E -H 361 0A 0 269,-2.0 269,-3.0 -2,-0.3 2,-0.3 -0.970 12.4-166.8-135.3 151.4 45.8 -21.0 23.8 93 107 A F E +HI 360 121A 0 28,-2.3 28,-3.1 -2,-0.3 2,-0.3 -0.954 23.5 103.9-140.7 154.2 45.1 -17.3 23.8 94 108 A G E -HI 359 120A 0 265,-1.9 265,-3.2 -2,-0.3 2,-0.3 -0.996 51.1 -71.4 167.4-165.7 42.2 -15.0 23.6 95 109 A W E -HI 358 119A 10 24,-1.9 24,-2.4 -2,-0.3 2,-0.5 -0.941 22.1-149.9-129.2 151.2 39.7 -12.6 25.1 96 110 A V E -HI 357 118A 1 261,-3.0 261,-1.8 -2,-0.3 22,-0.2 -0.971 21.9-131.7-117.2 130.8 36.8 -12.9 27.4 97 111 A A > - 0 0 0 20,-3.2 3,-1.6 -2,-0.5 4,-0.3 -0.435 20.7-116.7 -76.3 159.7 34.0 -10.6 27.2 98 112 A F G > S+ 0 0 1 254,-1.8 3,-2.0 1,-0.3 -1,-0.1 0.872 114.7 67.5 -58.3 -35.4 32.4 -8.8 30.2 99 113 A E G > S+ 0 0 2 1,-0.3 3,-0.7 17,-0.3 4,-0.4 0.559 77.7 77.0 -68.5 -14.6 29.4 -10.7 29.3 100 114 A F G < S+ 0 0 2 -3,-1.6 2,-0.4 17,-0.3 3,-0.3 0.775 92.7 58.6 -60.0 -29.0 31.0 -14.0 30.2 101 115 A G G < S+ 0 0 2 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.1 -0.323 87.8 76.8-100.4 50.3 30.2 -12.8 33.7 102 116 A V S X >S+ 0 0 3 -3,-0.7 5,-2.4 -2,-0.4 3,-1.1 0.619 77.8 64.0-125.3 -38.2 26.5 -12.4 33.3 103 117 A H G > 5S+ 0 0 53 -4,-0.4 3,-0.7 -3,-0.3 -2,-0.1 0.684 96.4 65.3 -54.1 -26.5 25.1 -16.0 33.5 104 118 A R G 3 5S+ 0 0 92 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.755 107.1 38.2 -76.0 -25.6 26.4 -16.0 37.1 105 119 A Y G < 5S- 0 0 49 -3,-1.1 -1,-0.2 231,-0.1 -2,-0.2 0.061 120.6-106.0-109.3 16.2 24.0 -13.4 38.2 106 120 A G T < 5S+ 0 0 32 -3,-0.7 3,-0.3 1,-0.1 -3,-0.2 0.648 86.0 120.3 73.1 19.6 21.2 -14.7 36.1 107 121 A L > < + 0 0 1 -5,-2.4 3,-1.3 1,-0.2 -4,-0.2 0.245 33.1 105.7-104.0 13.0 21.4 -12.0 33.5 108 122 A Q G > + 0 0 67 -6,-0.3 3,-2.0 1,-0.3 -1,-0.2 0.804 68.9 66.2 -62.4 -35.5 22.0 -14.0 30.4 109 123 A Q G 3 S+ 0 0 123 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.625 91.4 67.5 -69.4 -8.6 18.6 -13.7 28.9 110 124 A R G < S+ 0 0 35 -3,-1.3 -1,-0.3 2,-0.1 2,-0.2 0.579 79.4 99.5 -86.0 -11.1 19.3 -10.1 28.5 111 125 A L S < S- 0 0 26 -3,-2.0 3,-0.1 -4,-0.2 4,-0.0 -0.553 75.2-123.8 -74.2 141.3 21.9 -10.7 25.9 112 126 A A > - 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