==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-AUG-12 4B6Q . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.M.OTERO,A.L.LLAMAS-SAIZ,E.LENCE,L.TIZON,A.PEON,V.F.V.PRAZE . 135 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 0 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 3 A L 0 0 149 0, 0.0 37,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -32.4 1.5 16.8 18.9 2 4 A I E +a 38 0A 63 35,-0.2 2,-0.4 37,-0.1 37,-0.2 -0.581 360.0 174.2 -91.4 130.8 3.9 17.2 21.9 3 5 A V E -a 39 0A 2 35,-2.5 37,-2.7 -2,-0.4 2,-0.5 -0.995 20.7-144.1-125.5 131.2 4.4 14.7 24.7 4 6 A N E -ab 40 64A 21 59,-2.3 61,-2.8 -2,-0.4 2,-0.5 -0.821 9.2-165.6 -93.8 125.4 7.0 15.2 27.4 5 7 A V E -ab 41 65A 0 35,-2.8 37,-2.6 -2,-0.5 2,-0.5 -0.977 11.8-170.1-111.4 118.5 8.7 12.0 28.7 6 8 A I E -ab 42 66A 2 59,-2.9 61,-2.7 -2,-0.5 2,-0.4 -0.960 5.9-167.7-120.0 120.6 10.5 12.8 32.0 7 9 A N E -ab 43 67A 0 35,-2.8 37,-2.1 -2,-0.5 61,-0.2 -0.928 9.8-156.8-110.4 131.7 12.9 10.3 33.6 8 10 A G > - 0 0 0 59,-3.0 3,-1.7 -2,-0.4 4,-0.3 0.072 44.5 -18.2 -92.8-156.8 14.1 10.8 37.1 9 11 A P T 3 S+ 0 0 22 0, 0.0 61,-0.4 0, 0.0 -1,-0.2 -0.055 122.9 5.6 -60.1 143.7 17.1 9.7 39.1 10 12 A N T > S+ 0 0 110 59,-0.1 3,-2.2 -3,-0.1 4,-0.1 0.165 91.6 110.8 74.6 -10.4 19.2 6.8 38.0 11 13 A L G X + 0 0 18 -3,-1.7 3,-1.3 1,-0.3 -1,-0.1 0.741 68.9 67.6 -68.2 -19.2 17.4 6.3 34.7 12 14 A G G 3 S+ 0 0 16 -4,-0.3 9,-0.3 1,-0.2 -1,-0.3 0.617 90.1 66.2 -67.1 -11.9 20.5 7.5 32.9 13 15 A R G X + 0 0 147 -3,-2.2 3,-2.0 7,-0.1 -1,-0.2 0.354 69.5 135.7 -91.6 0.6 22.2 4.3 34.1 14 16 A L T < S+ 0 0 37 -3,-1.3 7,-0.7 1,-0.3 8,-0.2 -0.257 76.3 8.5 -53.2 132.5 19.9 2.0 32.0 15 17 A G T 3 0 0 44 1,-0.2 -1,-0.3 5,-0.2 5,-0.2 0.585 360.0 360.0 74.1 12.6 22.0 -0.7 30.3 16 18 A R < 0 0 209 -3,-2.0 -1,-0.2 3,-0.1 3,-0.0 -0.777 360.0 360.0 -91.2 360.0 25.3 0.0 32.2 17 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 26 A G 0 0 112 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 -13.8 20.7 -3.9 27.8 19 27 A T - 0 0 48 4,-0.1 -3,-0.1 1,-0.1 2,-0.1 -0.500 360.0-145.9 -69.5 127.3 18.8 -0.9 26.4 20 28 A T > - 0 0 60 -2,-0.3 4,-2.5 -5,-0.2 -5,-0.2 -0.397 25.8-107.6 -84.7 167.0 20.6 2.4 27.2 21 29 A H H > S+ 0 0 23 -7,-0.7 4,-2.6 -9,-0.3 5,-0.2 0.925 122.3 54.1 -62.8 -38.0 18.9 5.6 28.0 22 30 A D H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 109.2 47.7 -60.2 -42.2 20.0 6.9 24.6 23 31 A E H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.899 108.6 55.0 -65.2 -39.9 18.4 3.9 22.9 24 32 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.923 106.9 50.2 -57.6 -45.9 15.3 4.5 25.0 25 33 A V H X S+ 0 0 28 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.938 111.2 49.8 -57.3 -45.8 15.1 8.0 23.6 26 34 A A H X S+ 0 0 48 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.905 111.2 47.8 -58.2 -47.5 15.5 6.7 20.1 27 35 A L H X S+ 0 0 35 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.913 114.0 47.1 -61.2 -43.6 12.8 4.1 20.5 28 36 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.935 110.7 50.7 -65.1 -45.4 10.4 6.6 22.0 29 37 A E H X S+ 0 0 100 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.917 111.6 49.2 -60.9 -41.8 11.0 9.2 19.3 30 38 A R H X S+ 0 0 169 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.918 113.0 45.7 -62.9 -46.6 10.4 6.6 16.6 31 39 A E H X S+ 0 0 31 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.907 111.4 52.4 -66.3 -41.3 7.1 5.4 18.1 32 40 A A H <>S+ 0 0 0 -4,-2.8 5,-2.9 2,-0.2 3,-0.5 0.945 108.5 50.8 -58.6 -46.0 5.9 8.9 18.7 33 41 A A H ><5S+ 0 0 71 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.915 108.8 51.4 -57.3 -45.7 6.6 9.7 15.0 34 42 A E H 3<5S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.789 111.5 48.5 -59.4 -30.8 4.6 6.6 13.9 35 43 A L T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.417 120.2-108.2 -88.9 -3.6 1.7 7.8 16.1 36 44 A G T < 5S+ 0 0 51 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.2 0.694 82.6 116.3 79.9 21.7 1.8 11.3 14.8 37 45 A L < - 0 0 19 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.3 -0.634 61.4-133.1-110.4 168.5 3.2 12.8 18.0 38 46 A K E -a 2 0A 133 -37,-2.9 -35,-2.5 -2,-0.2 2,-0.5 -0.993 22.3-154.4-122.8 117.3 6.5 14.5 18.9 39 47 A A E -a 3 0A 10 -2,-0.5 2,-0.6 -37,-0.2 -35,-0.2 -0.823 7.4-163.4 -95.2 132.2 8.2 13.2 22.0 40 48 A V E -a 4 0A 32 -37,-2.7 -35,-2.8 -2,-0.5 2,-0.5 -0.977 15.9-164.7-111.0 110.3 10.5 15.4 24.0 41 49 A V E +a 5 0A 12 -2,-0.6 2,-0.3 -37,-0.2 -35,-0.2 -0.868 12.4 171.7-107.2 130.4 12.5 13.1 26.3 42 50 A R E -a 6 0A 118 -37,-2.6 -35,-2.8 -2,-0.5 2,-0.4 -0.981 10.7-169.4-137.1 146.8 14.5 14.4 29.3 43 51 A Q E +a 7 0A 55 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -1.000 11.4 163.8-138.4 139.1 16.3 12.8 32.2 44 52 A S - 0 0 20 -37,-2.1 -33,-0.2 -2,-0.4 -2,-0.0 -0.984 36.9-152.3-151.8 146.5 17.8 14.2 35.4 45 53 A D S S+ 0 0 103 -2,-0.3 2,-0.6 -36,-0.1 -37,-0.1 0.444 79.8 93.1 -86.2 -4.2 19.0 13.1 38.7 46 54 A S > - 0 0 56 1,-0.2 4,-2.2 -38,-0.1 3,-0.2 -0.832 63.5-156.3 -98.9 117.2 18.1 16.5 40.1 47 55 A E H > S+ 0 0 77 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.898 97.0 56.0 -55.8 -40.4 14.6 17.0 41.7 48 56 A A H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 107.2 49.0 -62.4 -38.7 14.8 20.7 40.9 49 57 A Q H > S+ 0 0 70 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 110.4 50.2 -66.2 -41.7 15.4 20.0 37.3 50 58 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.925 108.9 52.8 -61.8 -44.1 12.5 17.6 37.1 51 59 A L H X S+ 0 0 33 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.901 106.9 52.9 -56.7 -41.6 10.2 20.2 38.8 52 60 A D H X S+ 0 0 72 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.924 108.9 48.6 -64.4 -42.1 11.2 22.7 36.2 53 61 A W H X S+ 0 0 41 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.885 112.0 48.9 -63.2 -38.6 10.3 20.4 33.3 54 62 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.925 109.1 53.0 -67.5 -39.5 7.0 19.6 35.0 55 63 A H H X S+ 0 0 73 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.915 108.3 51.3 -60.5 -40.1 6.3 23.4 35.5 56 64 A Q H X S+ 0 0 104 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.914 109.3 49.4 -64.4 -41.3 7.0 23.9 31.7 57 65 A A H X>S+ 0 0 2 -4,-1.9 5,-2.2 2,-0.2 4,-0.7 0.855 110.6 50.9 -66.9 -34.2 4.5 21.2 30.8 58 66 A A H ><5S+ 0 0 14 -4,-2.2 3,-0.8 2,-0.2 -2,-0.2 0.933 110.8 48.1 -66.6 -44.7 1.9 22.7 33.1 59 67 A D H 3<5S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.832 117.9 41.8 -65.3 -31.4 2.4 26.1 31.5 60 68 A A H 3<5S- 0 0 52 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.473 104.9-127.2 -92.3 -4.8 2.2 24.6 28.0 61 69 A A T <<5 + 0 0 57 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.897 57.3 151.4 56.7 43.2 -0.8 22.3 28.8 62 70 A E < - 0 0 48 -5,-2.2 25,-0.3 -6,-0.1 -1,-0.2 -0.826 47.6-109.1-104.2 145.7 1.2 19.3 27.5 63 71 A P - 0 0 23 0, 0.0 -59,-2.3 0, 0.0 2,-0.4 -0.308 30.1-149.0 -68.0 157.9 0.9 15.7 28.6 64 72 A V E -bc 4 89A 0 24,-2.1 26,-2.6 -61,-0.2 2,-0.5 -0.995 15.5-162.4-133.2 131.8 3.6 14.0 30.6 65 73 A I E -bc 5 90A 0 -61,-2.8 -59,-2.9 -2,-0.4 2,-0.5 -0.985 30.2-168.5-106.1 116.2 4.8 10.4 30.8 66 74 A L E +bc 6 91A 2 24,-2.5 26,-2.2 -2,-0.5 2,-0.5 -0.959 30.0 175.4-121.8 124.8 6.8 10.4 34.1 67 75 A N E +b 7 0A 6 -61,-2.7 -59,-3.0 -2,-0.5 -56,-0.1 -0.904 12.4 179.9-118.4 94.6 9.1 7.8 35.5 68 76 A A > - 0 0 0 -2,-0.5 3,-1.5 1,-0.3 -61,-0.1 0.407 20.4-153.0 -80.9 4.3 10.4 9.5 38.6 69 77 A G G > S- 0 0 15 1,-0.3 3,-2.0 -61,-0.2 4,-0.4 -0.298 71.5 -8.6 55.3-141.3 12.6 6.7 39.8 70 78 A G G > S+ 0 0 35 -61,-0.4 3,-1.4 1,-0.3 4,-0.4 0.773 128.0 71.4 -61.1 -22.9 13.1 6.7 43.5 71 79 A L G X> S+ 0 0 28 -3,-1.5 4,-2.6 1,-0.3 3,-0.8 0.728 81.0 76.3 -65.8 -20.4 11.4 10.1 43.8 72 80 A T G <4 S+ 0 0 0 -3,-2.0 36,-2.5 1,-0.2 37,-0.5 0.867 102.7 38.1 -49.1 -42.0 8.1 8.2 43.0 73 81 A H G <4 S+ 0 0 32 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.516 128.9 27.6 -92.3 -8.6 8.2 6.9 46.6 74 82 A T T <4 S+ 0 0 93 -3,-0.8 2,-0.8 -4,-0.4 -2,-0.2 0.631 88.8 93.2-131.3 -25.6 9.5 9.9 48.4 75 83 A S X + 0 0 6 -4,-2.6 4,-1.5 1,-0.2 -1,-0.1 -0.735 24.5 168.3-100.6 109.6 8.8 13.3 46.9 76 84 A V H > S+ 0 0 67 -2,-0.8 4,-2.9 2,-0.2 5,-0.2 0.861 85.0 62.2 -71.8 -36.8 5.8 15.4 47.8 77 85 A A H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 104.3 47.3 -56.0 -42.0 7.3 18.3 45.9 78 86 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 111.0 51.4 -68.2 -41.7 7.2 16.4 42.7 79 87 A R H X S+ 0 0 80 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.936 108.9 51.6 -56.6 -45.6 3.5 15.4 43.4 80 88 A D H < S+ 0 0 102 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.901 110.0 48.1 -62.6 -37.9 2.7 19.0 44.0 81 89 A A H >< S+ 0 0 5 -4,-1.9 3,-1.4 1,-0.2 4,-0.3 0.921 111.9 50.6 -65.7 -43.1 4.2 20.1 40.7 82 90 A C H >< S+ 0 0 4 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.819 96.3 68.8 -65.9 -27.9 2.4 17.3 38.9 83 91 A A T 3< S+ 0 0 68 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.684 92.3 62.7 -64.6 -17.2 -0.9 18.4 40.4 84 92 A E T < S+ 0 0 117 -3,-1.4 -1,-0.3 -4,-0.4 2,-0.2 0.599 77.5 110.0 -80.5 -17.1 -0.7 21.5 38.3 85 93 A L < - 0 0 23 -3,-1.7 -27,-0.1 -4,-0.3 4,-0.1 -0.479 44.2-175.0 -67.2 129.2 -0.9 19.5 35.0 86 94 A S + 0 0 99 -2,-0.2 -1,-0.2 -28,-0.2 3,-0.1 0.717 68.6 65.0 -91.6 -27.1 -4.1 20.0 33.1 87 95 A A S S- 0 0 21 -25,-0.3 -25,-0.1 1,-0.2 -23,-0.1 -0.428 106.6 -63.4 -86.1 172.2 -3.2 17.4 30.4 88 96 A P - 0 0 46 0, 0.0 -24,-2.1 0, 0.0 2,-0.5 -0.165 41.5-157.0 -64.1 148.1 -2.8 13.7 31.1 89 97 A L E -c 64 0A 6 -26,-0.2 25,-2.7 23,-0.1 26,-1.2 -0.996 8.1-170.6-122.3 118.0 -0.1 12.4 33.4 90 98 A I E -cd 65 115A 8 -26,-2.6 -24,-2.5 -2,-0.5 2,-0.5 -0.970 11.6-149.2-112.8 121.2 0.9 8.8 32.9 91 99 A E E -cd 66 116A 3 24,-2.4 26,-2.6 -2,-0.5 2,-0.4 -0.775 18.5-172.5 -86.2 131.1 3.2 7.2 35.5 92 100 A V E - d 0 117A 0 -26,-2.2 2,-0.4 -2,-0.5 26,-0.2 -0.987 11.9-178.0-126.9 133.9 5.5 4.5 34.0 93 101 A H E - d 0 118A 10 24,-2.4 26,-1.0 -2,-0.4 27,-0.6 -0.996 19.6-151.2-125.5 138.1 7.9 2.1 35.8 94 102 A I S S+ 0 0 44 -2,-0.4 27,-2.0 24,-0.2 -1,-0.1 0.941 83.2 53.2 -69.2 -51.1 10.1 -0.3 33.9 95 103 A S S S- 0 0 41 25,-0.1 2,-1.3 24,-0.1 24,-1.0 -0.404 98.8-103.0 -80.7 158.2 10.2 -2.8 36.8 96 104 A N > - 0 0 73 23,-0.3 3,-2.1 22,-0.2 -1,-0.1 -0.726 34.4-167.9 -81.1 95.1 7.1 -4.3 38.6 97 105 A V G > S+ 0 0 11 -2,-1.3 3,-0.7 1,-0.3 -1,-0.2 0.657 81.5 64.1 -61.4 -16.7 7.3 -2.2 41.7 98 106 A H G 3 S+ 0 0 99 1,-0.2 -1,-0.3 7,-0.1 7,-0.1 0.555 96.6 56.3 -82.1 -8.8 4.7 -4.5 43.3 99 107 A A G < S+ 0 0 73 -3,-2.1 -1,-0.2 5,-0.1 -2,-0.2 0.225 105.7 60.1-103.9 12.9 7.0 -7.5 43.2 100 108 A R S < S- 0 0 105 -3,-0.7 5,-0.1 1,-0.3 -3,-0.1 -0.138 102.0 -24.3-120.8-151.7 9.8 -5.7 45.1 101 109 A E > - 0 0 85 1,-0.1 3,-1.9 -2,-0.1 4,-0.4 -0.327 61.6-115.4 -63.6 150.5 10.4 -4.2 48.5 102 110 A E G > S+ 0 0 117 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.840 112.3 63.4 -54.6 -38.0 7.3 -2.9 50.3 103 111 A F G > S+ 0 0 117 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.739 96.8 60.0 -62.3 -22.1 8.4 0.7 50.2 104 112 A R G < S+ 0 0 57 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.605 88.8 72.5 -80.4 -8.1 8.2 0.6 46.4 105 113 A R G < S+ 0 0 92 -3,-2.0 2,-0.4 -4,-0.4 -1,-0.2 0.414 86.7 75.0 -89.3 1.9 4.5 -0.3 46.4 106 114 A H < - 0 0 124 -3,-0.8 2,-0.4 -4,-0.2 3,-0.0 -0.970 59.5-177.7-116.7 131.5 3.6 3.3 47.5 107 115 A S - 0 0 28 -2,-0.4 -34,-0.2 1,-0.1 -35,-0.1 -0.994 25.2-158.0-126.9 129.0 3.7 6.2 45.0 108 116 A Y S S+ 0 0 96 -36,-2.5 4,-0.2 -2,-0.4 -35,-0.1 0.675 98.2 52.0 -70.9 -18.1 3.0 9.8 45.8 109 117 A L S >> S+ 0 0 3 -37,-0.5 3,-1.6 1,-0.1 4,-1.2 0.803 88.3 74.2 -89.9 -34.0 2.2 10.2 42.0 110 118 A S G >4 S+ 0 0 43 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.867 90.4 57.8 -55.1 -39.2 -0.3 7.4 41.3 111 119 A P G 34 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.739 115.0 37.3 -64.0 -20.8 -3.3 9.1 43.0 112 120 A I G <4 S+ 0 0 54 -3,-1.6 -2,-0.2 -4,-0.2 -23,-0.1 0.464 98.2 98.6-108.1 -3.7 -2.9 12.2 40.8 113 121 A A S << S- 0 0 17 -4,-1.2 -23,-0.2 -3,-0.6 3,-0.1 -0.429 74.8-131.6 -78.0 152.0 -2.0 10.4 37.6 114 122 A T S S- 0 0 78 -25,-2.7 2,-0.3 1,-0.3 -24,-0.2 0.934 86.2 -25.3 -61.0 -49.5 -4.4 9.5 34.9 115 123 A G E -d 90 0A 28 -26,-1.2 -24,-2.4 -3,-0.0 2,-0.4 -0.948 59.9-128.9-159.5 177.8 -3.1 6.1 34.9 116 124 A V E -d 91 0A 66 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.999 8.9-167.8-141.9 129.9 -0.0 3.9 35.7 117 125 A I E +d 92 0A 37 -26,-2.6 -24,-2.4 -2,-0.4 2,-0.3 -0.993 19.0 170.0-119.6 125.1 1.9 1.3 33.8 118 126 A V E +d 93 0A 33 -2,-0.4 -22,-0.2 -26,-0.2 -24,-0.2 -0.979 52.7 16.7-133.1 148.5 4.5 -0.9 35.6 119 127 A G S S+ 0 0 33 -24,-1.0 -23,-0.3 -26,-1.0 -25,-0.2 0.421 83.5 107.0 82.2 3.3 6.5 -4.0 34.9 120 128 A L S > S- 0 0 102 -27,-0.6 3,-0.7 1,-0.3 4,-0.3 0.170 76.2-134.0 -98.7 15.1 6.2 -4.0 31.1 121 129 A G T > - 0 0 23 -27,-2.0 3,-1.7 1,-0.2 -1,-0.3 -0.174 61.8 -27.0 69.2-157.1 9.8 -2.8 30.6 122 130 A I T >> S+ 0 0 39 1,-0.3 3,-1.5 2,-0.2 4,-0.8 0.792 128.8 75.1 -65.0 -23.5 10.7 -0.1 28.3 123 131 A Q H <> S+ 0 0 115 -3,-0.7 4,-2.4 1,-0.3 3,-0.3 0.823 78.8 76.4 -59.7 -24.3 7.6 -0.9 26.2 124 132 A G H <> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.3 -1,-0.3 0.857 91.9 51.5 -52.2 -38.8 5.6 0.8 29.0 125 133 A Y H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.3 -1,-0.2 0.894 109.8 49.2 -65.3 -39.3 6.7 4.2 27.6 126 134 A L H X S+ 0 0 30 -4,-0.8 4,-1.9 -3,-0.3 -2,-0.2 0.860 110.3 50.5 -69.6 -36.0 5.5 3.2 24.1 127 135 A L H X S+ 0 0 61 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.889 108.0 53.0 -67.8 -38.4 2.2 2.0 25.4 128 136 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.916 107.6 52.1 -60.3 -42.4 1.7 5.3 27.3 129 137 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.900 107.8 51.6 -58.1 -42.2 2.4 7.1 24.0 130 138 A R H X S+ 0 0 95 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.859 106.7 53.4 -67.0 -35.7 -0.3 5.1 22.3 131 139 A Y H X S+ 0 0 87 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.951 111.1 46.7 -57.7 -49.2 -2.8 5.9 25.0 132 140 A L H X S+ 0 0 11 -4,-2.0 4,-0.8 1,-0.2 3,-0.5 0.903 110.7 52.4 -66.1 -37.1 -2.1 9.6 24.5 133 141 A A H < S+ 0 0 20 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.867 111.4 45.7 -65.9 -38.1 -2.4 9.2 20.7 134 142 A E H < S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.620 115.8 47.3 -81.2 -12.4 -5.8 7.5 20.9 135 143 A H H < 0 0 124 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.392 360.0 360.0-106.3 -3.1 -7.1 10.1 23.4 136 144 A V < 0 0 149 -4,-0.8 -3,-0.0 -3,-0.4 -4,-0.0 -0.244 360.0 360.0 -84.1 360.0 -6.0 13.3 21.7