==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-FEB-10 3LOG . COMPND 2 MOLECULE: ISOCHORISMATE SYNTHASE/ISOCHORISMATE-PYRUVATE LYA . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR E.M.M.BULLOCH,J.S.LOTT,E.N.BAKER,J.M.JOHNSTON . 1759 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1300 73.9 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 . 547 31.1 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 28 1.6 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 . 131 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 434 24.7 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 0 0 0 2 2 4 0 4 7 12 0 2 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 . 10 8 1 27 17 11 4 7 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 . 1 0 0 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 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 0 119 0, 0.0 136,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 84.0 -7.2 25.4 12.6 2 16 A S E -A 136 0A 68 134,-1.2 134,-3.0 2,-0.0 2,-0.3 -0.490 360.0-140.4-106.5 179.7 -10.9 25.5 11.7 3 17 A S E -A 135 0A 60 132,-0.3 132,-0.2 -2,-0.2 130,-0.0 -0.994 9.5-162.0-147.7 145.4 -13.9 23.5 13.0 4 18 A I E -A 134 0A 42 130,-3.1 130,-3.3 -2,-0.3 -2,-0.0 -0.994 31.1-113.0-127.6 136.2 -17.1 21.8 11.8 5 19 A P E -A 133 0A 103 0, 0.0 128,-0.2 0, 0.0 127,-0.1 -0.215 38.8-106.8 -61.8 160.9 -20.1 20.8 13.9 6 20 A M - 0 0 24 126,-1.8 127,-0.0 125,-0.1 123,-0.0 -0.754 34.6-108.9 -91.7 129.1 -20.7 17.1 14.4 7 21 A P > - 0 0 52 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.171 31.4-118.5 -56.1 162.7 -23.6 15.5 12.5 8 22 A A T 3 S+ 0 0 107 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.916 101.3 44.4 -79.7 -48.7 -26.4 14.5 14.7 9 23 A G T 3 S+ 0 0 86 2,-0.0 2,-0.4 1,-0.0 -1,-0.2 0.538 97.6 103.2 -68.2 -2.0 -27.0 10.7 14.4 10 24 A V < - 0 0 45 -3,-0.6 -1,-0.0 121,-0.1 144,-0.0 -0.733 60.5-141.8-121.6 128.9 -23.3 10.0 14.6 11 25 A N > - 0 0 68 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.509 23.2-130.3 -81.0 134.8 -20.7 8.6 17.1 12 26 A P H > S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.811 107.5 53.5 -52.8 -39.8 -17.2 10.2 17.2 13 27 A A H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.891 110.8 46.9 -62.7 -40.3 -15.5 6.8 17.0 14 28 A D H > S+ 0 0 20 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.935 115.0 45.2 -70.2 -42.9 -17.5 5.8 14.0 15 29 A L H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.903 113.5 49.6 -69.6 -38.3 -16.8 9.1 12.2 16 30 A A H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.908 112.5 46.6 -66.3 -44.6 -13.1 9.1 13.0 17 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.887 112.3 51.0 -64.4 -41.4 -12.6 5.5 11.8 18 32 A E H X S+ 0 0 8 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.921 108.9 51.9 -62.7 -40.7 -14.5 6.3 8.6 19 33 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.899 106.4 53.0 -55.9 -48.2 -12.4 9.3 8.0 20 34 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.950 113.3 44.5 -56.3 -43.6 -9.3 7.1 8.4 21 35 A A H X S+ 0 0 20 -4,-2.4 4,-2.6 2,-0.2 3,-0.5 0.963 112.2 51.5 -66.0 -45.6 -10.7 4.8 5.7 22 36 A V H X S+ 0 0 38 -4,-3.3 4,-1.9 1,-0.3 -2,-0.2 0.893 110.2 48.2 -58.9 -52.7 -11.8 7.6 3.4 23 37 A V H X>S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 5,-0.7 0.755 109.7 52.6 -54.8 -32.2 -8.4 9.3 3.4 24 38 A T H X5S+ 0 0 38 -4,-1.4 4,-1.4 -3,-0.5 -2,-0.2 0.950 111.8 47.8 -65.3 -53.2 -6.6 5.9 2.7 25 39 A E H <5S+ 0 0 64 -4,-2.6 823,-0.3 2,-0.1 -2,-0.2 0.845 122.0 34.4 -49.1 -46.3 -9.0 5.5 -0.3 26 40 A S H <5S+ 0 0 19 -4,-1.9 654,-0.8 -5,-0.2 -2,-0.2 0.962 133.8 15.6 -86.8 -46.3 -8.3 8.9 -1.5 27 41 A V H <5S- 0 0 6 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.485 83.3-133.9-113.9 -6.0 -4.7 9.8 -0.8 28 42 A D << + 0 0 28 -4,-1.4 2,-0.3 -5,-0.7 -4,-0.2 0.898 52.6 148.4 61.2 43.7 -3.0 6.5 0.1 29 43 A E - 0 0 22 -6,-0.5 -1,-0.2 16,-0.1 2,-0.1 -0.773 50.3-110.2-115.3 157.3 -1.2 7.8 3.2 30 44 A D + 0 0 38 -2,-0.3 15,-2.7 14,-0.1 2,-0.3 -0.382 43.6 171.3 -74.6 158.9 -0.1 6.3 6.6 31 45 A Y E -BC 44 226A 5 195,-2.3 195,-2.6 13,-0.2 2,-0.4 -0.982 29.0-145.3-160.7 164.3 -2.0 7.5 9.6 32 46 A L E -BC 43 225A 0 11,-2.3 11,-3.2 -2,-0.3 2,-0.5 -0.981 10.3-160.7-140.1 124.2 -2.5 6.9 13.4 33 47 A L E -BC 42 224A 0 191,-3.4 191,-1.7 -2,-0.4 2,-0.4 -0.939 14.6-176.3-104.0 119.5 -5.9 7.4 15.0 34 48 A Y E -BC 41 223A 0 7,-2.4 7,-2.9 -2,-0.5 2,-0.5 -0.990 15.3-152.9-126.0 122.3 -5.6 7.8 18.9 35 49 A E E +BC 40 222A 15 187,-2.8 187,-1.0 -2,-0.4 2,-0.4 -0.849 24.3 165.8 -95.6 121.2 -8.6 8.1 21.2 36 50 A C E > -BC 39 221A 18 3,-2.4 3,-1.2 -2,-0.5 185,-0.1 -0.926 65.5 -26.0-145.8 105.6 -7.7 10.1 24.4 37 51 A D T 3 S- 0 0 134 183,-0.5 3,-0.1 -2,-0.4 184,-0.1 0.860 126.8 -41.4 56.4 55.5 -10.3 11.5 26.8 38 52 A G T 3 S+ 0 0 36 1,-0.2 2,-0.5 92,-0.1 93,-0.4 0.418 117.0 109.8 69.6 6.4 -13.2 11.8 24.3 39 53 A Q E < -B 36 0A 52 -3,-1.2 -3,-2.4 91,-0.1 2,-0.8 -0.952 53.6-158.9-108.0 120.1 -11.0 13.2 21.5 40 54 A W E -BD 35 129A 16 89,-3.3 89,-2.7 -2,-0.5 2,-0.7 -0.861 16.0-162.0 -95.3 107.3 -10.3 10.9 18.5 41 55 A V E -BD 34 128A 5 -7,-2.9 -7,-2.4 -2,-0.8 2,-0.8 -0.831 7.3-161.5 -98.2 112.5 -7.2 12.4 17.0 42 56 A L E -BD 33 127A 3 85,-3.2 85,-2.0 -2,-0.7 2,-0.8 -0.853 1.2-165.7 -96.5 104.8 -6.4 11.4 13.4 43 57 A A E -BD 32 126A 0 -11,-3.2 -11,-2.3 -2,-0.8 2,-0.4 -0.871 19.8-169.5 -88.7 104.5 -2.8 12.0 12.7 44 58 A A E +BD 31 125A 0 81,-2.9 81,-1.7 -2,-0.8 80,-1.0 -0.906 40.5 5.1-118.5 125.5 -2.8 11.8 8.9 45 59 A G E S- 0 0 1 -15,-2.7 79,-0.9 -2,-0.4 2,-0.7 0.352 77.0 -98.3 83.1 148.4 0.2 11.6 6.7 46 60 A V E + D 0 123A 29 77,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.871 36.5 170.4-105.9 110.9 3.8 11.5 7.6 47 61 A Q E S- 0 0 50 75,-2.7 15,-0.4 -2,-0.7 2,-0.3 0.883 79.4 -6.9 -80.9 -41.2 5.7 14.8 7.5 48 62 A A E - D 0 122A 0 74,-1.2 74,-2.2 13,-0.1 2,-0.4 -0.975 68.7-150.5-154.5 145.5 8.8 13.3 9.2 49 63 A M E -ED 60 121A 15 11,-2.3 11,-3.0 -2,-0.3 2,-0.6 -0.982 2.6-157.0-124.2 130.2 9.5 9.9 10.7 50 64 A V E -ED 59 120A 1 70,-3.2 70,-2.3 -2,-0.4 2,-0.6 -0.925 12.2-169.9-102.8 120.1 11.8 9.0 13.5 51 65 A E E -ED 58 119A 42 7,-3.0 7,-2.6 -2,-0.6 2,-0.7 -0.949 0.6-170.2-112.8 108.2 12.9 5.3 13.4 52 66 A L E +ED 57 118A 0 66,-2.4 65,-2.9 -2,-0.6 66,-2.2 -0.893 12.5 172.2 -96.0 116.7 14.7 4.1 16.5 53 67 A D E > -ED 56 116A 7 3,-3.1 3,-0.6 -2,-0.7 -2,-0.0 -0.707 49.0-100.1-111.4 172.0 16.2 0.6 16.1 54 68 A S T 3 S+ 0 0 29 61,-2.1 16,-0.1 -2,-0.2 3,-0.1 0.797 122.7 25.7 -58.0 -29.9 18.6 -1.3 18.4 55 69 A D T 3 S+ 0 0 53 1,-0.2 2,-0.3 60,-0.1 -1,-0.2 0.295 125.5 25.2-123.0 3.3 21.6 -0.3 16.2 56 70 A E E < -E 53 0A 37 -3,-0.6 -3,-3.1 13,-0.1 2,-0.4 -0.985 52.8-142.9-165.3 153.7 20.6 3.0 14.5 57 71 A L E -EF 52 68A 6 11,-2.7 11,-2.9 -2,-0.3 2,-0.4 -0.998 25.3-174.6-119.8 126.8 18.4 6.1 14.6 58 72 A R E -EF 51 67A 28 -7,-2.6 -7,-3.0 -2,-0.4 2,-0.5 -0.964 13.7-163.4-121.2 140.9 17.0 7.4 11.3 59 73 A V E -EF 50 66A 32 7,-2.2 7,-2.7 -2,-0.4 2,-0.5 -0.995 13.2-166.2-116.2 127.7 15.0 10.5 10.6 60 74 A I E +EF 49 65A 43 -11,-3.0 -11,-2.3 -2,-0.5 2,-0.3 -0.949 16.4 157.3-121.8 126.9 13.1 10.5 7.3 61 75 A R E > - F 0 64A 69 3,-1.9 3,-1.9 -2,-0.5 -13,-0.1 -0.967 66.7 -15.8-151.3 123.0 11.6 13.6 5.7 62 76 A D T 3 S- 0 0 60 -15,-0.4 411,-0.1 -2,-0.3 2,-0.1 0.884 129.0 -45.2 55.9 45.4 10.7 14.4 2.1 63 77 A G T 3 S+ 0 0 33 1,-0.2 2,-0.3 409,-0.1 -1,-0.3 -0.192 113.2 116.0 97.7 -37.2 12.7 11.6 0.6 64 78 A V E < -F 61 0A 59 -3,-1.9 -3,-1.9 -2,-0.1 2,-0.7 -0.494 47.7-158.9 -88.8 127.2 15.8 12.2 2.7 65 79 A T E -F 60 0A 59 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.871 2.4-165.8-103.8 110.9 17.2 9.7 5.3 66 80 A R E -F 59 0A 138 -7,-2.7 -7,-2.2 -2,-0.7 2,-0.4 -0.846 12.3-158.9 -90.7 125.5 19.5 11.0 8.0 67 81 A R E +F 58 0A 158 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.901 13.6 175.4-109.0 132.5 21.3 8.1 9.7 68 82 A Q E -F 57 0A 42 -11,-2.9 -11,-2.7 -2,-0.4 2,-0.3 -0.956 24.4-133.5-136.2 148.2 22.8 8.4 13.2 69 83 A Q - 0 0 156 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.1 -0.678 27.1-161.5 -91.7 153.4 24.5 6.0 15.6 70 84 A W - 0 0 44 -2,-0.3 2,-0.3 -15,-0.1 -2,-0.0 -0.999 12.9-175.9-143.3 149.8 23.4 6.0 19.3 71 85 A S + 0 0 99 -2,-0.3 2,-0.3 2,-0.1 6,-0.1 -0.883 52.0 20.8-132.2 161.8 24.7 4.9 22.6 72 86 A G S S+ 0 0 59 -2,-0.3 -2,-0.0 984,-0.2 31,-0.0 -0.586 106.9 14.0 83.5-140.2 23.4 4.9 26.2 73 87 A R >> - 0 0 114 -2,-0.3 4,-1.6 1,-0.1 3,-0.7 -0.574 57.5-144.4 -79.4 132.9 19.7 5.1 27.0 74 88 A P H 3> S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.845 102.0 58.9 -61.2 -29.8 17.2 4.5 24.2 75 89 A G H 3> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.826 102.6 52.1 -67.8 -31.9 14.9 7.1 25.8 76 90 A A H <> S+ 0 0 41 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.929 112.7 45.3 -67.7 -42.9 17.6 9.8 25.5 77 91 A A H X S+ 0 0 9 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.939 116.3 44.6 -64.4 -50.1 18.1 9.0 21.8 78 92 A L H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.926 112.6 53.1 -61.5 -43.7 14.4 8.9 21.1 79 93 A G H X S+ 0 0 7 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.906 105.4 52.9 -60.8 -45.0 13.8 12.1 23.1 80 94 A E H X S+ 0 0 96 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.939 115.5 41.7 -51.7 -48.2 16.4 14.1 21.2 81 95 A A H X S+ 0 0 5 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.933 116.9 45.9 -72.6 -39.7 14.8 13.2 17.9 82 96 A V H X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.887 106.1 57.9 -73.3 -38.7 11.2 13.6 19.0 83 97 A D H < S+ 0 0 81 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.899 107.8 51.1 -58.2 -36.1 11.8 17.0 20.8 84 98 A R H >X S+ 0 0 111 -4,-1.4 3,-1.0 -5,-0.3 4,-0.7 0.896 106.0 52.6 -67.0 -40.1 13.0 18.2 17.4 85 99 A L H >X S+ 0 0 4 -4,-1.7 4,-1.3 1,-0.2 3,-1.0 0.847 104.8 58.5 -53.7 -42.3 9.9 17.0 15.6 86 100 A L H 3< S+ 0 0 12 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.557 92.2 66.0 -81.6 -5.0 7.9 18.9 18.2 87 101 A L H <4 S+ 0 0 146 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.790 110.4 38.3 -68.7 -31.5 9.6 22.2 17.3 88 102 A E H << S+ 0 0 123 -3,-1.0 2,-0.3 -4,-0.7 -2,-0.2 0.728 126.5 28.0 -97.4 -24.3 7.9 22.0 13.9 89 103 A T < - 0 0 22 -4,-1.3 -1,-0.1 1,-0.1 3,-0.1 -0.938 69.2-128.0-137.9 157.2 4.5 20.5 15.0 90 104 A D S S+ 0 0 101 -2,-0.3 290,-2.3 1,-0.1 2,-0.3 0.746 92.0 25.0 -72.4 -28.7 2.3 20.6 18.2 91 105 A Q E -G 379 0A 22 288,-0.2 2,-0.3 32,-0.1 288,-0.2 -0.979 58.9-163.4-143.1 149.5 1.9 16.7 18.5 92 106 A A E -G 378 0A 0 286,-2.4 286,-3.1 -2,-0.3 2,-0.3 -0.939 14.8-167.5-137.4 149.2 3.8 13.6 17.4 93 107 A F E +GH 377 121A 0 28,-2.4 28,-2.8 -2,-0.3 2,-0.3 -0.911 25.6 92.5-139.3 152.1 2.4 10.0 17.3 94 108 A G E -GH 376 120A 0 282,-1.8 282,-2.6 -2,-0.3 2,-0.3 -0.999 55.8 -62.2 160.9-145.0 3.5 6.4 17.0 95 109 A W E -GH 375 119A 9 24,-2.2 24,-2.5 -2,-0.3 2,-0.4 -0.972 19.9-150.3-144.1 152.1 4.5 3.2 18.9 96 110 A V E -GH 374 118A 2 278,-2.9 278,-2.6 -2,-0.3 22,-0.2 -0.989 26.0-130.2-125.5 124.1 7.1 2.0 21.2 97 111 A A > - 0 0 0 20,-2.7 3,-1.5 -2,-0.4 4,-0.4 -0.392 20.8-116.4 -71.9 158.1 8.1 -1.7 21.2 98 112 A F G > S+ 0 0 0 271,-2.6 3,-2.0 273,-0.3 -1,-0.1 0.889 115.4 66.9 -51.2 -38.8 8.3 -4.0 24.2 99 113 A E G > S+ 0 0 2 1,-0.3 3,-1.4 17,-0.3 4,-0.4 0.697 82.3 72.6 -65.4 -18.0 12.1 -4.1 23.3 100 114 A F G < S+ 0 0 2 -3,-1.5 3,-0.4 17,-0.3 -1,-0.3 0.792 94.5 56.4 -63.1 -28.0 12.5 -0.5 24.1 101 115 A G G < S+ 0 0 3 -3,-2.0 4,-0.3 -4,-0.4 -1,-0.3 0.442 87.3 76.3 -84.5 -5.5 12.2 -1.5 27.8 102 116 A V S X >S+ 0 0 0 -3,-1.4 5,-1.3 1,-0.2 3,-1.2 0.792 77.2 70.3 -87.8 -21.0 15.0 -4.1 28.0 103 117 A H G > 5S+ 0 0 15 -4,-0.4 3,-1.8 -3,-0.4 5,-0.3 0.872 92.6 59.2 -61.4 -39.0 18.1 -1.8 28.1 104 118 A R G 3 5S+ 0 0 61 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.760 106.4 49.2 -63.5 -26.0 17.3 -0.6 31.6 105 119 A Y G < 5S- 0 0 23 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.156 121.5-102.6-105.4 19.3 17.5 -4.2 32.9 106 120 A G T < 5S+ 0 0 0 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.877 89.4 114.9 69.0 39.8 20.8 -5.1 31.2 107 121 A L > < + 0 0 2 -5,-1.3 3,-2.3 1,-0.1 4,-0.3 0.230 28.9 111.4-122.5 4.7 19.5 -7.0 28.2 108 122 A Q G > S+ 0 0 46 -6,-0.3 3,-1.8 1,-0.3 -5,-0.1 0.869 70.7 68.8 -48.3 -37.7 20.5 -4.9 25.3 109 123 A Q G 3 S+ 0 0 53 1,-0.3 -1,-0.3 949,-0.2 -2,-0.1 0.713 93.2 60.5 -56.5 -18.5 23.0 -7.6 24.3 110 124 A R G < S+ 0 0 81 -3,-2.3 2,-0.3 2,-0.1 -1,-0.3 0.595 77.7 100.0 -91.1 -13.1 20.1 -9.9 23.4 111 125 A L S < S- 0 0 24 -3,-1.8 3,-0.1 -4,-0.3 4,-0.1 -0.602 71.1-127.3 -80.3 130.1 18.4 -7.8 20.7 112 126 A A > - 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