==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JUL-11 3ST8 . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.A.JAGTAP,B.PRAKASH . 475 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 5.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 37 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 2 1 1 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 13 9 1 1 3 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 . 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 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 6 A D 0 0 124 0, 0.0 101,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 136.1 37.2 20.1 20.2 2 7 A T E -a 102 0A 14 99,-0.3 44,-1.7 101,-0.0 43,-0.8 -0.983 360.0-157.4-144.8 140.5 33.6 20.9 21.3 3 8 A A E -ab 103 46A 0 99,-2.5 101,-2.9 -2,-0.3 2,-0.5 -0.966 19.0-154.8-108.6 130.5 31.6 23.4 23.4 4 9 A V E -ab 104 47A 0 42,-2.9 44,-2.8 -2,-0.4 2,-0.5 -0.937 5.3-162.9-109.2 129.8 28.1 22.2 24.6 5 10 A L E -ab 105 48A 0 99,-3.2 101,-2.5 -2,-0.5 2,-0.6 -0.953 2.8-158.7-106.1 138.3 25.5 24.8 25.4 6 11 A V E -ab 106 49A 0 42,-2.6 44,-2.9 -2,-0.5 2,-0.7 -0.935 11.6-144.9-115.1 122.3 22.4 23.8 27.4 7 12 A L E +ab 107 50A 19 99,-3.0 101,-2.6 -2,-0.6 102,-0.2 -0.697 40.9 144.1 -89.6 122.1 19.5 26.2 27.0 8 13 A A E + b 0 51A 12 42,-2.2 44,-0.5 -2,-0.7 14,-0.2 -0.048 40.2 95.7-144.3 31.1 17.6 26.4 30.3 9 14 A A + 0 0 10 42,-0.3 44,-0.4 43,-0.1 42,-0.1 0.377 50.9 110.2-111.3 3.7 16.5 30.0 30.4 10 15 A G S S- 0 0 49 1,-0.1 42,-0.1 42,-0.1 11,-0.1 -0.344 77.3-113.0 -77.0 168.4 12.9 29.9 29.1 11 16 A P - 0 0 91 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 0.648 27.9-137.5 -81.8 -10.5 10.0 30.5 31.6 12 17 A G > + 0 0 14 8,-0.1 3,-2.0 1,-0.1 4,-0.5 0.852 39.4 165.1 66.8 30.3 8.5 26.9 31.6 13 18 A T G > + 0 0 83 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.850 65.0 59.1 -58.2 -40.9 5.0 28.4 31.5 14 19 A R G 3 S+ 0 0 139 1,-0.3 222,-0.5 2,-0.1 -1,-0.3 0.627 93.5 68.4 -70.5 -10.0 3.1 25.2 30.5 15 20 A M G < S- 0 0 3 -3,-2.0 -1,-0.3 220,-0.2 -2,-0.2 0.749 89.2-151.6 -71.7 -26.2 4.5 23.5 33.7 16 21 A R < + 0 0 183 -3,-2.1 2,-0.4 -4,-0.5 -2,-0.1 0.929 48.0 131.0 49.0 57.7 2.3 25.7 35.7 17 22 A S - 0 0 37 -5,-0.4 -1,-0.2 2,-0.1 4,-0.1 -0.958 66.9-141.2-139.2 151.2 4.7 25.5 38.6 18 23 A D S S+ 0 0 152 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.0 0.449 89.0 84.0 -84.3 -0.3 6.5 27.8 41.1 19 24 A T S S- 0 0 65 -4,-0.1 5,-0.1 2,-0.0 -2,-0.1 -0.911 98.8-103.3-101.8 129.7 9.5 25.4 40.7 20 25 A P > - 0 0 10 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.234 31.7-119.9 -48.4 134.1 11.7 26.2 37.7 21 26 A K G > S+ 0 0 37 1,-0.3 3,-1.7 -10,-0.2 10,-0.3 0.774 109.5 53.7 -48.6 -43.1 10.9 23.6 35.0 22 27 A V G 3 S+ 0 0 11 1,-0.3 10,-2.3 -14,-0.2 11,-0.3 0.625 102.4 61.7 -76.6 -9.8 14.5 22.2 34.7 23 28 A L G < S+ 0 0 31 -3,-2.3 -1,-0.3 7,-0.2 -2,-0.2 0.570 76.1 110.9 -90.8 -6.6 14.5 21.5 38.4 24 29 A H < - 0 0 21 -3,-1.7 7,-2.2 -4,-0.4 8,-0.2 -0.393 64.8-133.7 -66.6 145.1 11.5 19.1 38.1 25 30 A T E +I 30 0B 93 5,-0.2 2,-0.3 6,-0.1 5,-0.2 -0.591 29.6 175.6-109.2 158.3 12.7 15.5 38.9 26 31 A L E > S+I 29 0B 6 3,-2.1 3,-1.7 -2,-0.2 8,-0.1 -0.887 76.8 0.2-154.6 135.0 12.4 12.0 37.5 27 32 A A T 3 S- 0 0 16 -2,-0.3 244,-2.4 1,-0.3 245,-0.3 0.719 132.7 -53.3 58.2 29.3 14.2 8.8 38.8 28 33 A G T 3 S+ 0 0 46 242,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.478 120.0 85.4 88.4 10.4 15.9 10.8 41.5 29 34 A R E < S-I 26 0B 53 -3,-1.7 -3,-2.1 -5,-0.0 -1,-0.2 -0.997 76.3-112.3-130.4 151.2 17.5 13.6 39.4 30 35 A S E > -I 25 0B 22 -2,-0.3 4,-2.8 -5,-0.2 -5,-0.2 -0.311 36.0-111.0 -63.3 157.9 16.3 17.0 38.1 31 36 A M H > S+ 0 0 0 -7,-2.2 4,-2.8 -10,-0.3 5,-0.2 0.937 122.1 52.5 -56.1 -41.2 16.0 17.2 34.3 32 37 A L H > S+ 0 0 1 -10,-2.3 4,-2.9 -8,-0.2 -1,-0.2 0.941 108.1 50.0 -61.8 -44.6 19.0 19.6 34.3 33 38 A S H > S+ 0 0 13 -11,-0.3 4,-2.9 2,-0.2 5,-0.3 0.907 110.3 50.1 -57.5 -45.6 21.0 17.0 36.3 34 39 A H H X S+ 0 0 17 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.958 112.9 46.9 -56.5 -48.2 20.2 14.3 33.8 35 40 A V H X S+ 0 0 1 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.931 114.3 46.5 -63.9 -44.4 21.2 16.5 30.9 36 41 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.864 109.7 53.5 -69.4 -32.7 24.5 17.6 32.6 37 42 A H H X S+ 0 0 42 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.904 110.5 48.1 -64.5 -44.0 25.5 14.0 33.6 38 43 A A H X S+ 0 0 15 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.960 114.2 45.3 -62.2 -47.1 25.0 12.9 30.0 39 44 A I H >X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.5 0.916 109.7 54.7 -61.0 -40.6 27.1 15.8 28.7 40 45 A A H 3< S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.856 102.2 57.7 -66.1 -34.3 29.8 15.4 31.3 41 46 A K H 3< S+ 0 0 164 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.838 104.1 52.1 -60.7 -34.5 30.2 11.7 30.2 42 47 A L H << S- 0 0 39 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.812 102.2-148.7 -71.6 -28.6 30.9 13.0 26.7 43 48 A A < - 0 0 72 -4,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.900 19.0-170.4 64.7 49.8 33.6 15.2 28.3 44 49 A P - 0 0 12 0, 0.0 -41,-0.1 0, 0.0 -1,-0.1 -0.283 32.8-115.0 -69.0 158.6 33.5 18.2 26.0 45 50 A Q S S+ 0 0 98 -43,-0.8 2,-0.3 1,-0.1 -42,-0.2 0.887 99.3 23.1 -56.6 -45.6 36.1 21.0 26.3 46 51 A R E -b 3 0A 53 -44,-1.7 -42,-2.9 2,-0.0 2,-0.4 -0.969 62.0-173.1-128.1 149.4 33.5 23.6 27.3 47 52 A L E +b 4 0A 1 -2,-0.3 27,-2.8 -44,-0.2 2,-0.4 -0.983 10.4 179.4-145.7 119.2 30.0 23.3 28.9 48 53 A I E -bc 5 74A 0 -44,-2.8 -42,-2.6 -2,-0.4 2,-0.5 -0.990 14.0-157.4-126.0 136.1 27.9 26.3 29.3 49 54 A V E -bc 6 75A 0 25,-3.0 27,-2.4 -2,-0.4 2,-0.6 -0.946 12.7-145.7-115.2 128.1 24.3 26.5 30.8 50 55 A V E -bc 7 76A 0 -44,-2.9 -42,-2.2 -2,-0.5 2,-0.3 -0.840 24.1-176.6 -94.7 121.3 22.2 29.5 29.8 51 56 A L E -bc 8 77A 0 25,-2.8 27,-2.8 -2,-0.6 -42,-0.3 -0.776 6.8-163.7-116.7 161.2 20.0 30.6 32.6 52 57 A G > - 0 0 8 -44,-0.5 3,-2.4 -2,-0.3 4,-0.2 -0.041 55.6 -31.6-121.7-134.1 17.3 33.2 32.9 53 58 A H T 3 S+ 0 0 160 -44,-0.4 3,-0.5 1,-0.3 -44,-0.1 0.822 132.4 51.0 -70.0 -26.3 15.4 35.1 35.4 54 59 A D T >> S+ 0 0 43 1,-0.2 3,-1.8 2,-0.1 4,-0.9 0.173 72.5 122.8 -85.9 23.3 15.4 32.3 38.0 55 60 A H H X> + 0 0 56 -3,-2.4 4,-3.1 1,-0.3 3,-0.7 0.829 64.6 63.4 -60.4 -29.5 19.2 31.9 37.6 56 61 A Q H 34 S+ 0 0 151 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.816 105.8 45.3 -59.3 -32.4 19.7 32.5 41.4 57 62 A R H <4 S+ 0 0 126 -3,-1.8 -1,-0.3 2,-0.1 4,-0.2 0.654 123.4 32.6 -79.1 -23.3 17.7 29.4 42.1 58 63 A I H XX S+ 0 0 6 -4,-0.9 4,-2.0 -3,-0.7 3,-0.7 0.806 100.6 71.8-105.3 -38.8 19.4 27.2 39.6 59 64 A A H 3X S+ 0 0 31 -4,-3.1 4,-2.6 1,-0.3 5,-0.2 0.884 96.5 55.3 -48.1 -42.3 23.1 28.4 39.3 60 65 A P H 3> S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.915 108.5 48.3 -61.0 -40.3 24.0 27.0 42.8 61 66 A L H <> S+ 0 0 55 -3,-0.7 4,-2.2 -4,-0.2 -2,-0.2 0.865 107.0 55.1 -67.6 -35.1 22.8 23.5 41.6 62 67 A V H X S+ 0 0 2 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.941 109.3 48.9 -60.0 -42.5 24.8 23.8 38.4 63 68 A G H X S+ 0 0 39 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.926 109.1 52.1 -64.7 -43.0 27.9 24.5 40.7 64 69 A E H X S+ 0 0 126 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.931 112.5 45.7 -55.1 -42.8 27.0 21.4 42.8 65 70 A L H X S+ 0 0 18 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.908 109.2 54.6 -69.7 -40.7 26.8 19.3 39.6 66 71 A A H X>S+ 0 0 13 -4,-3.1 5,-2.0 2,-0.2 4,-0.6 0.954 111.0 46.9 -56.4 -44.0 30.1 20.9 38.4 67 72 A D H ><5S+ 0 0 140 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.970 114.6 45.6 -61.2 -53.1 31.7 19.7 41.7 68 73 A T H 3<5S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.901 115.4 46.7 -54.0 -43.1 30.1 16.2 41.4 69 74 A L H 3<5S- 0 0 41 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.471 109.1-124.8 -87.5 0.3 31.1 15.8 37.8 70 75 A G T <<5S+ 0 0 68 -3,-1.2 2,-0.3 -4,-0.6 -3,-0.2 0.878 72.1 89.5 66.8 38.5 34.7 17.1 38.4 71 76 A R S - 0 0 8 119,-0.3 4,-2.4 1,-0.1 -1,-0.3 -0.456 49.2 -79.3 134.2 159.8 13.8 33.0 21.9 84 89 A T H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 120,-0.2 0.839 126.2 53.3 -60.4 -36.5 16.0 29.9 21.5 85 90 A G H > S+ 0 0 0 118,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.901 110.4 47.4 -67.0 -37.9 18.2 31.6 18.9 86 91 A H H > S+ 0 0 45 117,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.870 107.7 57.8 -67.3 -36.0 18.8 34.6 21.3 87 92 A A H X S+ 0 0 5 -4,-2.4 4,-2.7 116,-0.3 -2,-0.2 0.926 105.8 49.5 -57.5 -44.0 19.6 32.0 24.1 88 93 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.929 107.3 52.9 -63.8 -40.5 22.4 30.6 22.0 89 94 A L H X S+ 0 0 68 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.941 110.0 50.0 -63.1 -41.2 23.8 34.0 21.3 90 95 A C H >< S+ 0 0 20 -4,-2.7 3,-0.9 1,-0.2 4,-0.4 0.943 111.5 49.8 -56.3 -47.8 23.9 34.5 25.2 91 96 A G H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.863 103.4 57.6 -58.3 -40.5 25.6 31.2 25.5 92 97 A L H >< S+ 0 0 2 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.773 92.1 71.0 -68.2 -22.7 28.3 31.9 22.9 93 98 A S T << S+ 0 0 93 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.720 89.9 61.8 -63.6 -17.0 29.3 35.0 25.0 94 99 A A T < S+ 0 0 31 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.431 96.6 74.2 -87.5 1.0 30.7 32.6 27.5 95 100 A L S < S- 0 0 6 -3,-1.9 -92,-0.0 -4,-0.1 -49,-0.0 -0.818 98.4 -93.4-104.0 156.8 33.1 31.3 24.8 96 101 A P > - 0 0 55 0, 0.0 3,-2.6 0, 0.0 -2,-0.1 -0.333 33.9-115.4 -66.6 147.2 36.2 33.2 23.6 97 102 A D T 3 S+ 0 0 145 1,-0.3 -2,-0.0 -4,-0.1 -4,-0.0 0.835 117.6 45.5 -49.3 -31.9 35.7 35.4 20.5 98 103 A D T 3 S+ 0 0 139 2,-0.0 -1,-0.3 0, 0.0 0, 0.0 0.190 76.7 143.4-102.1 18.5 38.1 33.2 18.6 99 104 A Y < + 0 0 25 -3,-2.6 -4,-0.0 1,-0.1 -96,-0.0 -0.330 21.5 178.1 -54.6 140.7 36.7 29.8 19.8 100 105 A A + 0 0 88 2,-0.1 84,-0.2 84,-0.1 -1,-0.1 0.299 40.8 105.6-130.2 3.4 37.0 27.5 16.7 101 106 A G S S- 0 0 14 1,-0.1 83,-0.5 82,-0.1 -99,-0.3 -0.182 82.6 -81.9 -72.7 175.9 35.7 24.2 18.1 102 107 A N E -aD 2 183A 26 -101,-2.7 -99,-2.5 81,-0.1 2,-0.5 -0.454 39.4-138.4 -68.7 158.1 32.2 22.7 17.2 103 108 A V E -aD 3 182A 0 79,-2.4 79,-2.2 -101,-0.2 2,-0.4 -0.984 15.5-167.9-118.1 121.6 29.2 24.1 19.1 104 109 A V E -aD 4 181A 0 -101,-2.9 -99,-3.2 -2,-0.5 2,-0.4 -0.910 6.4-162.8-101.8 138.6 26.5 21.6 20.3 105 110 A V E +aD 5 180A 1 75,-2.4 75,-2.3 -2,-0.4 2,-0.3 -0.975 17.0 160.3-121.1 132.7 23.2 23.0 21.5 106 111 A T E -a 6 0A 0 -101,-2.5 -99,-3.0 -2,-0.4 2,-0.3 -0.913 33.3-110.7-141.0 170.6 20.7 21.1 23.6 107 112 A S E > -a 7 0A 28 -2,-0.3 3,-0.7 -101,-0.2 -99,-0.2 -0.751 15.6-129.7-100.4 157.6 17.8 21.9 25.9 108 113 A G T 3 S+ 0 0 1 -101,-2.6 -73,-0.2 -2,-0.3 -100,-0.1 0.444 104.1 64.1 -75.0 -7.3 17.6 21.4 29.5 109 114 A D T 3 S+ 0 0 21 -102,-0.2 124,-2.2 1,-0.1 -1,-0.2 -0.130 77.6 86.7-107.5 30.0 14.1 19.6 29.1 110 115 A T X + 0 0 3 -3,-0.7 3,-1.1 122,-0.2 122,-0.2 -0.711 52.9 166.4-123.9 71.8 15.4 16.6 27.1 111 116 A P T 3 + 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -73,-0.1 0.612 64.3 55.0 -82.5 -7.4 16.3 14.4 30.0 112 117 A L T 3 S+ 0 0 14 119,-0.4 118,-0.1 116,-0.3 2,-0.1 0.371 75.9 122.3 -97.2 2.0 16.8 10.9 28.4 113 118 A L < - 0 0 6 -3,-1.1 2,-0.2 118,-0.2 -75,-0.1 -0.426 49.6-160.8 -64.5 145.5 19.3 12.3 26.0 114 119 A D > - 0 0 54 -76,-0.1 4,-2.0 -2,-0.1 3,-0.2 -0.776 31.3-106.5-133.1 165.5 22.6 10.3 26.5 115 120 A A H > S+ 0 0 8 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.817 116.3 56.0 -61.7 -32.7 26.3 10.6 25.7 116 121 A D H > S+ 0 0 119 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.910 106.0 49.9 -68.9 -42.6 26.1 8.1 22.9 117 122 A T H > S+ 0 0 13 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 113.8 46.7 -55.6 -45.6 23.5 10.0 21.0 118 123 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.916 111.5 50.3 -64.2 -44.1 25.6 13.2 21.4 119 124 A A H X S+ 0 0 43 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.946 111.3 48.7 -65.0 -42.3 28.8 11.4 20.3 120 125 A D H X S+ 0 0 107 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.877 109.9 53.5 -60.7 -41.2 27.0 10.0 17.2 121 126 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.952 111.1 44.1 -52.1 -56.7 25.7 13.5 16.5 122 127 A I H X S+ 0 0 15 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.904 113.9 50.2 -61.4 -41.5 29.2 15.0 16.6 123 128 A A H X S+ 0 0 60 -4,-3.0 4,-3.1 2,-0.2 -1,-0.2 0.932 111.7 48.7 -61.4 -46.1 30.7 12.1 14.5 124 129 A T H X S+ 0 0 37 -4,-2.8 4,-2.4 1,-0.2 6,-0.2 0.963 110.0 52.6 -53.7 -54.2 27.9 12.5 11.9 125 130 A H H <>S+ 0 0 6 -4,-2.8 5,-1.9 1,-0.2 -1,-0.2 0.872 114.7 40.5 -45.4 -51.6 28.5 16.3 11.8 126 131 A R H ><5S+ 0 0 126 -4,-2.1 3,-1.6 3,-0.2 -1,-0.2 0.938 111.7 56.7 -67.7 -44.9 32.2 15.9 11.1 127 132 A A H 3<5S+ 0 0 83 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.891 115.8 34.3 -59.0 -42.3 31.8 13.0 8.7 128 133 A V T 3<5S- 0 0 57 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.289 106.2-125.9 -93.2 9.4 29.5 14.9 6.3 129 134 A S T < 5 - 0 0 98 -3,-1.6 89,-0.3 -5,-0.2 -3,-0.2 0.841 45.0-177.4 40.7 47.2 31.3 18.2 7.0 130 135 A A < - 0 0 8 -5,-1.9 89,-0.2 -6,-0.2 3,-0.2 -0.266 38.2-150.3 -67.0 149.7 28.0 19.9 7.9 131 136 A A S S+ 0 0 5 87,-3.2 52,-2.4 1,-0.4 2,-0.3 0.743 94.8 9.3 -78.4 -32.9 27.6 23.5 8.8 132 137 A V E -Ef 182 219A 0 86,-1.2 88,-2.7 50,-0.2 2,-0.4 -0.951 64.6-170.6-145.1 130.8 24.6 22.3 10.9 133 138 A T E -Ef 181 220A 0 48,-2.4 48,-2.6 -2,-0.3 2,-0.4 -0.996 13.1-166.1-118.3 127.7 23.5 18.8 11.9 134 139 A V E -Ef 180 221A 0 86,-2.5 88,-1.9 -2,-0.4 2,-0.3 -0.954 16.7-131.3-114.2 139.0 20.1 18.6 13.6 135 140 A L E + f 0 222A 3 44,-2.7 42,-2.6 -2,-0.4 43,-0.5 -0.670 34.5 172.3 -83.3 139.9 18.8 15.5 15.5 136 141 A T E -Ef 176 223A 0 86,-2.6 88,-3.0 -2,-0.3 2,-0.3 -0.883 12.0-175.1-134.4 173.4 15.3 14.6 14.5 137 142 A T E -E 175 0A 2 38,-1.9 38,-3.5 -2,-0.3 2,-0.5 -0.978 26.0-109.0-155.8 176.2 12.9 11.7 15.1 138 143 A T E -E 174 0A 53 86,-0.4 2,-0.4 -2,-0.3 36,-0.2 -0.923 30.8-174.8-116.0 132.6 9.4 10.5 14.1 139 144 A L - 0 0 29 34,-2.2 -2,-0.0 -2,-0.5 0, 0.0 -0.936 33.2-139.0-121.5 144.9 6.5 10.5 16.3 140 145 A D S S+ 0 0 150 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.853 111.4 37.0 -65.5 -34.8 2.8 9.3 16.0 141 146 A D + 0 0 117 1,-0.1 -1,-0.3 32,-0.1 32,-0.1 -0.813 67.0 168.7-124.1 103.4 2.0 12.5 17.7 142 147 A P > + 0 0 12 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.324 28.2 142.0 -91.3 6.9 4.2 15.4 16.6 143 148 A F T 3 + 0 0 136 1,-0.2 3,-0.1 19,-0.0 -2,-0.1 -0.206 69.7 16.9 -53.0 140.5 2.1 18.1 18.3 144 149 A G T 3 S+ 0 0 33 1,-0.3 18,-0.3 90,-0.0 -1,-0.2 0.018 102.2 107.0 89.0 -27.2 4.3 20.8 19.8 145 150 A Y S < S- 0 0 38 -3,-2.0 -1,-0.3 16,-0.1 2,-0.1 -0.521 77.5-105.4 -84.7 154.7 7.5 20.0 17.9 146 151 A G - 0 0 4 30,-0.4 30,-2.3 -2,-0.2 2,-0.3 -0.482 42.5-123.9 -65.1 141.4 9.1 21.9 15.0 147 152 A R E -GH 160 175A 6 13,-4.1 13,-2.0 28,-0.2 2,-0.7 -0.740 12.1-128.2 -93.4 142.8 8.5 20.0 11.8 148 153 A I E -G 159 0A 5 26,-1.9 2,-0.6 -2,-0.3 11,-0.2 -0.754 21.0-154.2 -90.6 111.7 11.4 18.8 9.5 149 154 A L E +G 158 0A 42 9,-2.7 8,-3.4 -2,-0.7 9,-1.1 -0.791 22.2 172.0 -86.2 119.5 10.8 20.0 5.8 150 155 A R E -G 156 0A 73 -2,-0.6 6,-0.2 6,-0.3 5,-0.1 -0.999 29.8-127.7-128.2 147.6 12.6 17.8 3.4 151 156 A T > - 0 0 51 4,-2.1 3,-2.3 -2,-0.4 6,-0.0 -0.167 46.5 -90.3 -82.7 178.3 12.6 17.5 -0.4 152 157 A Q T 3 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.699 128.8 60.1 -72.8 -17.5 11.9 14.0 -2.0 153 158 A D T 3 S- 0 0 101 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.311 120.7-110.3 -86.4 7.9 15.6 13.3 -2.1 154 159 A H < + 0 0 135 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.399 67.8 147.8 78.6 9.0 15.5 13.6 1.9 155 160 A E - 0 0 90 1,-0.1 -4,-2.1 -5,-0.1 2,-0.3 -0.486 49.5-123.4 -76.8 134.9 17.5 16.9 1.8 156 161 A V E +G 150 0A 2 63,-0.4 -6,-0.3 -6,-0.2 63,-0.1 -0.626 33.7 172.7 -80.6 140.9 16.4 19.1 4.7 157 162 A M E - 0 0 62 -8,-3.4 2,-0.3 1,-0.4 56,-0.2 0.746 57.1 -28.9-113.3 -33.9 15.3 22.5 3.8 158 163 A A E -G 149 0A 20 -9,-1.1 -9,-2.7 51,-0.1 -1,-0.4 -0.979 47.6-116.9-169.2 166.4 13.9 24.1 7.0 159 164 A I E -G 148 0A 9 47,-0.5 2,-0.5 -2,-0.3 -11,-0.2 -0.992 25.6-160.1-120.6 138.7 12.2 23.5 10.3 160 165 A V E -G 147 0A 20 -13,-2.0 -13,-4.1 -2,-0.4 16,-0.1 -0.968 17.2-126.4-124.1 126.9 8.7 25.0 11.0 161 166 A E >> - 0 0 34 -2,-0.5 3,-1.6 -15,-0.3 4,-1.4 -0.378 21.2-115.2 -75.2 148.4 7.4 25.5 14.5 162 167 A Q G >4 S+ 0 0 17 -18,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.903 118.2 50.6 -43.3 -50.1 4.0 24.1 15.7 163 168 A T G 34 S+ 0 0 63 1,-0.2 -1,-0.3 -19,-0.2 -17,-0.0 0.730 117.5 38.0 -67.1 -24.4 2.7 27.6 16.1 164 169 A D G <4 S+ 0 0 52 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.479 90.9 109.0-104.5 -3.2 3.8 28.7 12.6 165 170 A A << - 0 0 5 -4,-1.4 -19,-0.0 -3,-0.7 -4,-0.0 -0.512 64.8-125.3 -79.1 140.9 3.0 25.5 10.5 166 171 A T > - 0 0 69 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.304 37.0 -97.3 -68.2 164.3 0.2 25.3 8.0 167 172 A P H > S+ 0 0 113 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.891 129.0 52.3 -53.9 -37.6 -2.4 22.6 8.3 168 173 A S H >> S+ 0 0 91 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.934 109.4 46.9 -66.5 -45.8 -0.4 20.7 5.7 169 174 A Q H >4 S+ 0 0 47 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 0.909 102.5 66.4 -58.7 -36.0 3.0 21.1 7.6 170 175 A R H 3< S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.765 91.1 62.0 -62.2 -25.5 1.3 20.0 10.8 171 176 A E H << S+ 0 0 153 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.726 77.0 109.4 -73.7 -18.7 0.8 16.5 9.3 172 177 A I << - 0 0 46 -3,-2.0 -23,-0.1 -4,-0.5 -3,-0.0 -0.379 51.2-169.1 -53.0 133.8 4.5 16.1 9.0 173 178 A R + 0 0 121 -25,-0.1 -34,-2.2 -32,-0.1 2,-0.5 0.488 58.8 93.2-107.5 -7.7 5.5 13.5 11.7 174 179 A E E - E 0 138A 32 -36,-0.2 -26,-1.9 -26,-0.2 2,-0.3 -0.790 64.3-168.8 -84.0 127.4 9.3 13.9 11.6 175 180 A V E -HE 147 137A 0 -38,-3.5 -38,-1.9 -2,-0.5 2,-0.5 -0.831 27.8-104.9-126.0 156.3 10.2 16.5 14.3 176 181 A N E - E 0 136A 12 -30,-2.3 -30,-0.4 -2,-0.3 -40,-0.2 -0.730 19.1-156.7 -75.1 120.8 13.2 18.6 15.5 177 182 A A E - 0 0 7 -42,-2.6 -41,-0.2 -2,-0.5 -1,-0.1 0.603 36.1-124.9 -72.9 -14.8 14.7 17.0 18.7 178 183 A G E S+ 0 0 12 -43,-0.5 2,-0.4 1,-0.3 -71,-0.1 0.824 76.2 119.2 76.7 23.0 16.2 20.6 19.4 179 184 A V E + 0 0 0 -44,-0.4 -44,-2.7 -73,-0.2 2,-0.3 -0.997 39.8 168.3-124.1 122.1 19.7 19.0 19.6 180 185 A Y E -DE 105 134A 8 -75,-2.3 -75,-2.4 -2,-0.4 2,-0.4 -0.965 32.0-147.4-138.2 153.1 22.2 20.4 17.0 181 186 A A E -DE 104 133A 0 -48,-2.6 -48,-2.4 -2,-0.3 2,-0.4 -0.957 29.0-169.9-116.7 142.7 25.9 20.5 16.1 182 187 A F E -DE 103 132A 0 -79,-2.2 -79,-2.4 -2,-0.4 2,-0.5 -0.983 33.2-125.7-135.7 140.0 27.2 23.7 14.5 183 188 A D E > -D 102 0A 70 -52,-2.4 4,-2.4 -2,-0.4 5,-0.2 -0.774 39.7-132.8 -65.6 125.0 30.3 25.0 12.7 184 189 A I H > S+ 0 0 13 -2,-0.5 4,-2.9 -83,-0.5 5,-0.2 0.902 99.2 49.6 -61.2 -40.3 30.8 28.1 14.9 185 190 A A H > S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.957 112.6 47.3 -61.3 -47.8 31.3 30.6 12.2 186 191 A A H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.941 112.1 52.0 -59.0 -42.9 28.2 29.5 10.3 187 192 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.971 110.8 45.8 -58.5 -51.9 26.2 29.6 13.6 188 193 A R H X S+ 0 0 79 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.936 113.4 50.9 -58.4 -41.3 27.3 33.1 14.4 189 194 A S H < S+ 0 0 46 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.2 0.941 113.4 42.8 -62.4 -49.9 26.6 34.3 10.9 190 195 A A H >< S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.2 4,-0.2 0.878 110.7 56.0 -62.8 -40.7 23.1 32.8 10.8 191 196 A L H >< S+ 0 0 5 -4,-2.7 3,-1.7 -5,-0.3 -1,-0.2 0.897 98.8 60.5 -59.0 -39.5 22.2 33.9 14.3 192 197 A S T 3< S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.689 106.0 51.4 -64.0 -12.0 23.0 37.6 13.4 193 198 A R T < S+ 0 0 106 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.375 76.9 125.6-110.2 5.0 20.2 37.3 10.7 194 199 A L < - 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