==== 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 3RV8 . 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 . 1700 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1227 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 . 517 30.4 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 . 117 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 408 24.0 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+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 1 1 3 4 5 8 0 4 3 0 0 2 1 1 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 . 10 11 8 26 19 11 4 4 0 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 4 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 2 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 15 A S 0 0 118 0, 0.0 135,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.3 -12.8 32.1 12.0 2 16 A S + 0 0 71 133,-0.1 134,-2.7 1,-0.0 2,-0.4 0.722 360.0 56.6 -63.7 -32.3 -10.9 30.1 14.5 3 17 A S E -A 135 0A 58 132,-0.2 132,-0.2 130,-0.0 -1,-0.0 -0.887 56.3-174.8-121.8 139.6 -13.9 28.0 15.4 4 18 A I E -A 134 0A 39 130,-2.5 130,-2.4 -2,-0.4 2,-0.2 -0.977 32.0-113.6-127.1 141.3 -16.4 25.9 13.6 5 19 A P E -A 133 0A 105 0, 0.0 128,-0.2 0, 0.0 127,-0.1 -0.563 36.8-111.2 -71.5 135.3 -19.4 24.2 15.0 6 20 A M - 0 0 26 126,-2.0 2,-0.1 -2,-0.2 3,-0.1 -0.476 35.5-112.3 -66.7 132.1 -19.3 20.5 15.1 7 21 A P > - 0 0 44 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.413 35.3-103.5 -68.3 139.9 -21.7 18.8 12.6 8 22 A A T 3 S+ 0 0 100 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.282 101.4 19.3 -64.6 143.8 -24.6 16.9 14.1 9 23 A G T 3 S+ 0 0 88 1,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.446 94.6 122.3 78.7 1.0 -24.4 13.2 14.1 10 24 A V < - 0 0 38 -3,-1.5 -1,-0.2 121,-0.1 144,-0.0 -0.870 56.2-140.2-108.8 117.9 -20.6 13.1 13.6 11 25 A N > - 0 0 84 -2,-0.6 4,-1.9 1,-0.1 5,-0.1 -0.396 18.2-129.4 -62.5 142.6 -18.4 11.4 16.0 12 26 A P H > S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.838 105.8 54.7 -64.8 -39.6 -15.2 13.3 16.7 13 27 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.885 109.0 49.1 -62.7 -43.0 -12.9 10.4 16.0 14 28 A D H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 113.4 44.7 -64.0 -47.1 -14.5 9.9 12.7 15 29 A L H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.914 113.4 48.9 -63.5 -44.1 -14.2 13.5 11.6 16 30 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.900 111.7 49.8 -62.4 -41.6 -10.6 14.0 12.8 17 31 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.875 110.9 50.4 -63.4 -39.1 -9.5 10.8 11.1 18 32 A E H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 5,-0.4 0.883 110.6 48.7 -64.6 -40.5 -11.2 12.0 7.9 19 33 A L H X>S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 5,-0.7 0.904 109.1 54.7 -63.8 -40.1 -9.4 15.4 8.2 20 34 A A H <5S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.875 115.1 37.8 -61.9 -44.4 -6.2 13.5 8.7 21 35 A A H X5S+ 0 0 18 -4,-2.0 4,-1.0 3,-0.1 -2,-0.2 0.956 125.3 33.2 -69.6 -57.8 -6.6 11.5 5.6 22 36 A V H X5S+ 0 0 18 -4,-2.4 4,-1.3 2,-0.2 -3,-0.2 0.925 118.8 44.3 -68.7 -51.5 -8.1 14.1 3.2 23 37 A V H X5S+ 0 0 0 -4,-1.5 4,-1.1 -5,-0.4 -3,-0.2 0.843 113.8 49.0 -64.9 -42.5 -6.6 17.4 4.2 24 38 A T H 4XS+ 0 0 3 -5,-0.7 5,-2.6 -4,-0.5 4,-0.4 0.850 108.7 51.6 -65.8 -40.5 -3.0 16.3 4.6 25 39 A E H ><5S+ 0 0 94 -4,-1.0 3,-0.8 1,-0.2 -1,-0.2 0.897 106.9 57.3 -63.7 -36.2 -2.9 14.5 1.3 26 40 A S H 3<5S+ 0 0 44 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.851 114.2 34.8 -61.7 -41.5 -4.2 17.6 -0.3 27 41 A V T 3<5S- 0 0 42 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.249 112.5-112.7-103.4 14.1 -1.4 19.8 0.9 28 42 A D T < 5 + 0 0 24 -3,-0.8 535,-0.5 -4,-0.4 2,-0.4 0.924 66.7 143.8 56.5 51.8 1.4 17.1 0.7 29 43 A E < - 0 0 6 -5,-2.6 -1,-0.2 16,-0.1 2,-0.1 -0.936 50.7-128.6-132.2 149.8 1.9 16.8 4.4 30 44 A D - 0 0 19 -2,-0.4 15,-3.0 14,-0.1 2,-0.3 -0.389 35.2-174.6 -71.3 158.2 2.7 14.4 7.2 31 45 A Y E -BC 44 226A 2 195,-1.9 195,-2.6 13,-0.2 2,-0.3 -0.986 26.1-154.7-154.1 156.3 0.6 14.3 10.3 32 46 A L E -BC 43 225A 0 11,-1.7 11,-2.8 -2,-0.3 2,-0.5 -0.969 13.2-162.0-132.5 129.1 -0.0 13.0 13.8 33 47 A L E -BC 42 224A 0 191,-3.0 191,-1.9 -2,-0.3 2,-0.4 -0.936 10.9-171.6-109.1 128.0 -3.5 12.8 15.3 34 48 A Y E -BC 41 223A 0 7,-2.5 7,-2.8 -2,-0.5 2,-0.6 -0.977 14.1-151.9-124.3 126.4 -3.7 12.4 19.1 35 49 A E E +BC 40 222A 15 187,-2.8 187,-1.1 -2,-0.4 2,-0.4 -0.837 25.7 161.7 -95.5 117.3 -6.7 11.7 21.2 36 50 A C E > -B 39 0A 17 3,-2.3 3,-1.6 -2,-0.6 185,-0.1 -0.928 65.6 -29.2-135.4 116.6 -6.5 13.0 24.8 37 51 A D T 3 S- 0 0 129 183,-0.4 3,-0.1 -2,-0.4 184,-0.1 0.868 126.2 -38.7 51.3 50.2 -9.5 13.6 27.1 38 52 A G T 3 S+ 0 0 37 1,-0.2 2,-0.5 92,-0.1 93,-0.3 0.361 117.9 105.9 83.0 -2.0 -12.2 14.2 24.5 39 53 A Q E < -B 36 0A 59 -3,-1.6 -3,-2.3 91,-0.1 2,-0.7 -0.919 52.3-161.0-108.7 131.7 -9.9 16.3 22.2 40 54 A W E -BD 35 129A 16 89,-3.1 89,-3.0 -2,-0.5 2,-0.6 -0.944 14.3-162.5-108.1 114.6 -8.6 14.9 19.0 41 55 A V E -BD 34 128A 4 -7,-2.8 -7,-2.5 -2,-0.7 2,-0.8 -0.866 6.3-162.1-102.3 121.3 -5.7 17.0 17.9 42 56 A L E -BD 33 127A 1 85,-3.0 85,-2.1 -2,-0.6 2,-0.8 -0.883 2.0-164.8 -99.9 110.7 -4.5 16.8 14.4 43 57 A A E -BD 32 126A 0 -11,-2.8 -11,-1.7 -2,-0.8 2,-0.5 -0.845 17.5-167.9 -94.0 106.5 -1.0 18.1 14.1 44 58 A A E +BD 31 125A 0 81,-2.5 81,-2.7 -2,-0.8 80,-0.7 -0.858 41.8 11.1-108.9 122.7 -0.7 18.7 10.3 45 59 A G E S- 0 0 0 -15,-3.0 79,-1.4 -2,-0.5 2,-1.2 0.497 75.5-101.2 93.9 133.8 2.5 19.4 8.5 46 60 A V E + D 0 123A 39 77,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.709 40.8 168.8 -91.3 95.9 6.1 19.2 9.6 47 61 A Q E S- 0 0 68 75,-2.2 15,-0.6 -2,-1.2 2,-0.3 0.902 75.2 -8.4 -65.0 -48.0 7.2 22.7 10.3 48 62 A A E S-ED 61 122A 1 74,-1.0 74,-1.9 -3,-0.2 2,-0.4 -0.960 72.7-148.0-148.3 151.2 10.4 21.6 12.0 49 63 A M E -ED 60 121A 16 11,-1.7 11,-2.2 -2,-0.3 2,-0.6 -0.982 8.3-159.7-132.1 132.6 11.6 18.2 13.0 50 64 A V E -ED 59 120A 0 70,-3.0 70,-2.5 -2,-0.4 2,-0.6 -0.933 12.3-175.1-106.5 118.8 13.7 16.7 15.8 51 65 A E E -ED 58 119A 44 7,-2.8 7,-2.8 -2,-0.6 2,-0.6 -0.955 2.9-170.0-112.8 114.4 15.1 13.3 15.1 52 66 A L E +ED 57 118A 0 66,-2.3 65,-2.6 -2,-0.6 66,-1.7 -0.923 12.7 173.4-106.4 114.1 17.0 11.8 18.0 53 67 A D E - D 0 116A 4 3,-2.7 3,-0.3 -2,-0.6 -2,-0.0 -0.625 46.6-101.4-109.6 170.6 18.9 8.7 17.0 54 68 A S S S+ 0 0 28 61,-2.1 16,-0.1 1,-0.2 3,-0.1 0.882 121.3 24.9 -61.4 -40.4 21.3 6.6 19.0 55 69 A D S S+ 0 0 46 60,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.346 126.6 27.7-105.0 -1.4 24.3 8.2 17.4 56 70 A E - 0 0 32 -3,-0.3 -3,-2.7 13,-0.1 2,-0.4 -0.997 54.3-142.5-157.8 155.7 23.0 11.6 16.2 57 71 A L E -EF 52 68A 8 11,-2.7 11,-2.0 -2,-0.3 2,-0.4 -0.991 23.3-170.0-123.5 127.2 20.6 14.4 16.7 58 72 A R E -EF 51 67A 26 -7,-2.8 -7,-2.8 -2,-0.4 2,-0.5 -0.943 12.6-171.9-120.3 133.6 19.1 16.1 13.8 59 73 A V E -EF 50 66A 40 7,-2.2 7,-2.5 -2,-0.4 2,-0.6 -0.993 10.5-166.4-120.2 122.1 17.0 19.2 13.6 60 74 A I E +EF 49 65A 28 -11,-2.2 -11,-1.7 -2,-0.5 2,-0.4 -0.928 16.5 161.3-114.0 111.0 15.5 19.9 10.2 61 75 A R E > -EF 48 64A 58 3,-2.4 3,-1.8 -2,-0.6 -13,-0.1 -0.972 65.2 -10.0-132.5 127.9 14.1 23.3 9.6 62 76 A D T 3 S- 0 0 141 -15,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.721 129.5 -52.9 69.7 19.1 13.3 25.2 6.5 63 77 A G T 3 S+ 0 0 48 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.387 113.9 117.6 91.9 0.3 15.0 22.5 4.5 64 78 A V E < -F 61 0A 72 -3,-1.8 -3,-2.4 2,-0.0 2,-0.6 -0.883 48.9-158.1-105.6 122.8 18.2 22.8 6.5 65 79 A T E -F 60 0A 45 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.878 6.1-167.2-100.6 123.0 19.4 19.7 8.5 66 80 A R E -F 59 0A 163 -7,-2.5 -7,-2.2 -2,-0.6 2,-0.4 -0.835 9.0-156.6-122.2 117.8 21.7 20.4 11.3 67 81 A R E +F 58 0A 144 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.918 13.7 176.1-103.6 135.7 23.4 17.4 12.8 68 82 A Q E -F 57 0A 92 -11,-2.0 -11,-2.7 -2,-0.4 2,-0.2 -0.998 27.0-130.1-139.6 145.8 24.9 17.1 16.2 69 83 A Q - 0 0 142 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.1 -0.624 31.7-167.2 -80.7 152.1 26.5 14.5 18.3 70 84 A W - 0 0 43 -2,-0.2 2,-0.3 -16,-0.1 -2,-0.0 -0.979 10.8-172.1-143.8 154.2 25.1 14.1 21.8 71 85 A S + 0 0 111 -2,-0.3 2,-0.2 2,-0.1 6,-0.1 -0.863 49.1 30.8-139.1 171.6 26.1 12.4 25.0 72 86 A G S S+ 0 0 61 -2,-0.3 -2,-0.1 4,-0.1 31,-0.0 -0.517 103.8 6.9 79.7-148.5 24.5 11.7 28.3 73 87 A R > - 0 0 90 -2,-0.2 4,-1.7 1,-0.1 3,-0.2 -0.507 57.3-139.9 -77.1 137.6 20.8 11.2 28.8 74 88 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.864 102.1 57.4 -63.4 -35.9 18.5 11.0 25.8 75 89 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.847 105.4 49.5 -62.5 -40.1 15.9 13.0 27.6 76 90 A A H > S+ 0 0 59 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 113.0 47.5 -64.4 -42.7 18.2 15.9 28.1 77 91 A A H X S+ 0 0 12 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.920 116.9 42.2 -62.3 -46.8 19.2 15.8 24.5 78 92 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.877 111.9 55.9 -66.2 -40.4 15.6 15.6 23.4 79 93 A G H X S+ 0 0 7 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.896 104.7 51.2 -62.0 -43.1 14.4 18.2 25.8 80 94 A E H X S+ 0 0 105 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.936 113.8 43.3 -62.1 -47.4 16.8 20.8 24.7 81 95 A A H X S+ 0 0 5 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.846 114.0 49.9 -64.4 -40.9 15.8 20.5 21.1 82 96 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.835 104.3 59.6 -66.4 -34.8 12.1 20.3 21.7 83 97 A D H X S+ 0 0 83 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.887 102.5 54.2 -61.9 -39.5 12.3 23.4 23.9 84 98 A R H >X S+ 0 0 125 -4,-1.2 4,-0.8 1,-0.2 3,-0.8 0.886 106.7 49.7 -62.0 -41.4 13.6 25.3 21.0 85 99 A L H 3X S+ 0 0 3 -4,-1.1 4,-2.2 1,-0.2 3,-0.4 0.858 105.6 58.7 -61.9 -39.8 10.7 24.3 18.8 86 100 A L H 3< S+ 0 0 13 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.568 94.5 62.9 -72.7 -13.8 8.3 25.3 21.5 87 101 A L H << S+ 0 0 138 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.840 111.9 39.6 -68.4 -45.0 9.6 28.9 21.5 88 102 A E H < S+ 0 0 111 -4,-0.8 2,-0.3 -3,-0.4 -2,-0.2 0.869 127.9 19.8 -69.5 -45.1 8.4 29.1 17.9 89 103 A T S < S- 0 0 24 -4,-2.2 -1,-0.2 1,-0.1 35,-0.0 -0.966 71.3-120.0-134.8 158.1 5.1 27.2 18.3 90 104 A D S S+ 0 0 99 -2,-0.3 274,-2.2 273,-0.1 2,-0.3 0.695 87.9 25.6 -62.5 -36.1 2.6 26.2 21.0 91 105 A Q E -G 363 0A 21 272,-0.2 2,-0.3 32,-0.1 272,-0.2 -0.968 55.7-161.8-139.7 152.3 2.7 22.4 20.7 92 106 A A E -G 362 0A 0 270,-1.8 270,-2.6 -2,-0.3 2,-0.3 -0.977 11.5-164.9-134.7 147.1 4.9 19.5 19.5 93 107 A F E +GH 361 121A 0 28,-2.7 28,-3.5 -2,-0.3 2,-0.3 -0.921 23.1 110.1-136.4 155.0 4.1 16.0 18.7 94 108 A G E -GH 360 120A 0 266,-1.7 266,-2.3 -2,-0.3 2,-0.3 -0.987 48.2 -86.6 173.6-167.6 5.8 12.8 18.2 95 109 A W E -GH 359 119A 8 24,-1.6 24,-2.4 -2,-0.3 2,-0.4 -0.954 22.5-149.9-136.3 152.1 6.7 9.3 19.2 96 110 A V E -GH 358 118A 1 262,-2.7 262,-1.8 -2,-0.3 22,-0.3 -0.993 20.3-128.4-125.4 130.4 9.4 7.9 21.4 97 111 A A > - 0 0 0 20,-3.3 3,-1.2 -2,-0.4 4,-0.3 -0.296 19.8-117.7 -74.1 161.4 11.0 4.5 20.9 98 112 A F G > S+ 0 0 1 255,-1.8 3,-1.5 257,-0.3 -1,-0.1 0.849 115.8 67.1 -59.6 -35.2 11.4 1.7 23.4 99 113 A E G > S+ 0 0 1 1,-0.3 3,-1.1 17,-0.2 4,-0.3 0.646 81.7 75.0 -66.1 -16.9 15.0 2.2 22.8 100 114 A F G < S+ 0 0 0 -3,-1.2 3,-0.5 17,-0.3 -1,-0.3 0.806 93.9 53.6 -61.9 -33.7 14.8 5.7 24.4 101 115 A G G < S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.3 4,-0.2 0.302 87.3 79.7 -88.6 4.0 14.6 4.0 27.8 102 116 A V S X >S+ 0 0 0 -3,-1.1 5,-2.3 1,-0.1 3,-0.8 0.710 76.7 69.3 -83.9 -22.3 17.7 1.8 27.5 103 117 A H G > 5S+ 0 0 23 -3,-0.5 3,-1.8 -4,-0.3 -1,-0.1 0.820 90.0 62.2 -63.9 -35.8 20.4 4.4 28.3 104 118 A R G 3 5S+ 0 0 84 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.723 107.8 45.2 -65.5 -22.4 19.4 4.8 31.9 105 119 A Y G < 5S- 0 0 53 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.235 118.0-114.9-102.1 11.7 20.3 1.2 32.3 106 120 A G T < 5S+ 0 0 51 -3,-1.8 3,-0.3 1,-0.1 -3,-0.2 0.788 79.8 125.3 60.8 30.7 23.5 1.6 30.4 107 121 A L > < + 0 0 18 -5,-2.3 3,-1.6 1,-0.2 4,-0.3 0.342 31.5 107.5 -97.9 7.6 22.4 -0.6 27.6 108 122 A Q G > + 0 0 84 1,-0.3 3,-1.4 -6,-0.3 -1,-0.2 0.699 64.7 70.0 -63.5 -24.8 23.0 1.8 24.8 109 123 A Q G 3 S+ 0 0 57 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.773 88.9 65.6 -66.0 -25.9 26.0 0.1 23.4 110 124 A R G < S+ 0 0 33 -3,-1.6 1287,-0.3 2,-0.0 -1,-0.3 0.732 83.6 97.3 -64.2 -25.8 23.8 -2.7 22.2 111 125 A L S < S- 0 0 10 -3,-1.4 3,-0.1 -4,-0.3 4,-0.1 -0.466 73.7-126.8 -74.0 135.1 22.0 -0.3 19.7 112 126 A A > - 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