==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 05-JAN-12 3VDG . COMPND 2 MOLECULE: PROBABLE GLUCARATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS STR. MC2 155; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 424 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 17 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 0 1 1 0 2 0 2 0 4 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 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 0 0 PARALLEL BRIDGES PER LADDER . 4 2 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 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 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 0 A S 0 0 175 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.3 92.5 64.2 21.6 2 1 A M > - 0 0 46 5,-0.0 3,-1.9 3,-0.0 5,-0.1 -0.777 360.0-148.1-101.5 94.5 89.2 63.2 23.2 3 2 A A G > S+ 0 0 71 -2,-0.9 3,-2.1 1,-0.3 0, 0.0 -0.310 84.0 5.8 -57.8 139.2 88.4 65.7 26.0 4 3 A H G 3 S- 0 0 184 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.676 121.1 -82.5 58.2 22.1 86.5 64.1 28.9 5 4 A N G < S+ 0 0 142 -3,-1.9 2,-0.4 1,-0.2 -1,-0.3 0.830 97.9 139.2 53.1 35.6 87.0 60.8 27.2 6 5 A R < - 0 0 104 -3,-2.1 2,-0.4 39,-0.0 -1,-0.2 -0.903 37.3-179.3-120.4 134.1 84.0 61.8 25.1 7 6 A I + 0 0 2 -2,-0.4 69,-1.9 -3,-0.1 70,-0.4 -0.953 23.8 168.3-132.0 113.3 83.2 61.4 21.4 8 7 A R B -A 75 0A 79 -2,-0.4 37,-2.1 67,-0.3 38,-0.3 -0.823 37.7 -89.4-133.0 162.6 79.9 62.8 20.4 9 8 A I E +B 44 0B 0 65,-2.4 64,-2.9 62,-0.3 35,-0.3 -0.504 29.5 176.4 -77.4 133.9 77.9 63.7 17.4 10 9 A T E - 0 0 61 33,-2.8 2,-0.3 1,-0.4 34,-0.2 0.591 65.1 -43.9-106.7 -17.9 78.1 67.3 16.0 11 10 A G E -B 43 0B 20 32,-1.3 32,-2.4 60,-0.1 -1,-0.4 -0.958 49.2-117.5 170.0 171.5 75.9 66.8 12.9 12 11 A A E -B 42 0B 23 -2,-0.3 2,-0.6 30,-0.2 30,-0.2 -0.998 10.1-150.5-136.5 138.7 74.9 64.6 10.0 13 12 A R E -B 41 0B 102 28,-2.6 28,-2.4 -2,-0.4 2,-0.5 -0.952 14.7-163.3-104.2 119.4 75.1 65.2 6.3 14 13 A V E -B 40 0B 21 -2,-0.6 26,-0.2 26,-0.2 -2,-0.0 -0.932 7.3-174.5-106.0 119.4 72.4 63.2 4.4 15 14 A T E -B 39 0B 25 24,-2.9 24,-2.6 -2,-0.5 2,-0.2 -0.926 14.4-147.8-119.5 108.7 73.1 62.9 0.6 16 15 A P E -B 38 0B 18 0, 0.0 2,-0.3 0, 0.0 22,-0.3 -0.527 23.5-176.7 -72.3 139.8 70.4 61.3 -1.6 17 16 A V E -B 37 0B 0 20,-3.2 20,-2.0 -2,-0.2 2,-0.4 -0.904 15.0-154.6-131.0 162.2 71.9 59.4 -4.6 18 17 A A E -B 36 0B 0 374,-1.6 2,-0.3 -2,-0.3 18,-0.2 -0.999 10.4-175.8-139.3 140.1 70.6 57.5 -7.6 19 18 A F E -B 35 0B 2 16,-1.9 16,-2.6 -2,-0.4 -2,-0.0 -0.980 36.5 -86.9-136.5 149.5 72.2 54.7 -9.6 20 19 A A E -B 34 0B 28 -2,-0.3 336,-0.3 14,-0.2 14,-0.3 -0.218 42.3-177.9 -58.8 139.1 71.2 52.8 -12.8 21 20 A D - 0 0 12 12,-2.1 334,-0.1 334,-0.1 333,-0.0 -0.995 23.4-122.0-139.5 136.6 68.9 49.8 -12.4 22 21 A P - 0 0 14 0, 0.0 2,-2.6 0, 0.0 9,-0.1 -0.254 43.0 -86.3 -75.3 169.3 67.7 47.4 -15.1 23 22 A P + 0 0 0 0, 0.0 133,-1.5 0, 0.0 2,-0.3 -0.387 60.1 177.4 -77.9 68.2 64.0 46.8 -15.8 24 23 A L B -D 155 0C 0 -2,-2.6 7,-2.7 131,-0.2 2,-0.3 -0.538 19.7-136.4 -75.9 133.3 63.7 44.0 -13.2 25 24 A L E +F 30 0D 12 129,-2.9 129,-0.3 -2,-0.3 2,-0.3 -0.647 27.9 166.0 -96.0 146.0 60.2 42.6 -12.9 26 25 A N E > -F 29 0D 10 3,-2.3 3,-1.1 -2,-0.3 171,-0.1 -0.860 53.4 -86.2-144.1-178.0 58.3 41.7 -9.7 27 26 A T T 3 S+ 0 0 9 169,-0.4 393,-0.1 -2,-0.3 170,-0.1 0.699 124.6 42.0 -69.3 -15.3 54.7 40.9 -8.8 28 27 A V T 3 S- 0 0 23 1,-0.1 2,-0.3 391,-0.1 -1,-0.2 0.439 125.9 -65.0-109.5 1.3 53.8 44.6 -8.3 29 28 A G E < -F 26 0D 1 -3,-1.1 -3,-2.3 381,-0.1 2,-0.3 -0.958 64.4 -57.7 157.0-140.8 55.5 46.2 -11.3 30 29 A V E -F 25 0D 0 376,-1.3 -5,-0.2 -2,-0.3 380,-0.2 -0.990 52.8 -94.3-145.3 146.1 59.0 46.8 -12.7 31 30 A H - 0 0 4 -7,-2.7 4,-0.1 -2,-0.3 -10,-0.0 -0.385 41.7-115.5 -63.2 141.3 62.1 48.6 -11.3 32 31 A Q - 0 0 25 2,-0.2 -8,-0.2 1,-0.1 -11,-0.1 -0.247 31.7-103.3 -64.3 159.5 62.6 52.2 -12.2 33 32 A P S S+ 0 0 39 0, 0.0 -12,-2.1 0, 0.0 2,-0.4 0.671 109.2 39.5 -66.2 -17.7 65.7 53.1 -14.3 34 33 A Y E S-B 20 0B 71 -14,-0.3 2,-0.3 365,-0.1 -14,-0.2 -1.000 73.2-149.2-129.0 139.2 67.3 54.5 -11.2 35 34 A A E -B 19 0B 14 -16,-2.6 -16,-1.9 -2,-0.4 2,-0.4 -0.785 21.6-136.9 -95.8 146.4 67.2 53.1 -7.6 36 35 A L E +B 18 0B 18 -2,-0.3 20,-0.4 -18,-0.2 2,-0.3 -0.854 26.6 165.9-109.4 139.9 67.5 55.7 -4.8 37 36 A R E -B 17 0B 6 -20,-2.0 -20,-3.2 -2,-0.4 2,-0.5 -0.947 27.0-134.8-140.2 161.4 69.5 55.6 -1.5 38 37 A A E -BC 16 54B 0 16,-2.4 16,-2.1 -2,-0.3 2,-0.5 -0.987 15.9-148.0-117.5 128.6 70.5 58.2 1.1 39 38 A V E -BC 15 53B 0 -24,-2.6 -24,-2.9 -2,-0.5 2,-0.5 -0.859 9.2-154.0 -95.7 127.8 74.1 58.3 2.4 40 39 A I E -BC 14 52B 0 12,-2.7 12,-1.7 -2,-0.5 2,-0.6 -0.911 9.9-172.3-101.7 125.8 74.6 59.3 6.0 41 40 A Q E -BC 13 51B 8 -28,-2.4 -28,-2.6 -2,-0.5 2,-0.7 -0.982 13.4-159.6-113.5 112.9 77.8 60.9 7.0 42 41 A L E -BC 12 50B 0 8,-3.4 8,-2.7 -2,-0.6 2,-0.3 -0.871 8.1-155.7-103.1 114.9 77.7 61.2 10.8 43 42 A D E -BC 11 49B 31 -32,-2.4 -33,-2.8 -2,-0.7 -32,-1.3 -0.661 9.3-168.4 -97.0 145.0 80.2 63.8 12.0 44 43 A T E > -B 9 0B 7 4,-0.9 3,-1.8 -35,-0.3 -35,-0.2 -0.824 37.8-109.7-128.3 166.7 81.7 63.9 15.6 45 44 A D T 3 S+ 0 0 79 -37,-2.1 -36,-0.1 1,-0.3 -38,-0.0 0.564 116.8 64.5 -76.2 -4.9 83.8 66.4 17.7 46 45 A A T 3 S- 0 0 40 -38,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.397 115.6-116.2 -87.6 -0.8 86.7 64.0 17.3 47 46 A G S < S+ 0 0 65 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.689 74.5 132.1 69.3 16.4 86.7 64.7 13.5 48 47 A L - 0 0 48 2,-0.0 -4,-0.9 0, 0.0 2,-0.4 -0.836 44.1-152.6 -97.2 141.1 85.8 61.1 12.8 49 48 A T E -C 43 0B 44 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.951 3.5-156.0-118.2 131.3 82.9 60.5 10.3 50 49 A G E -C 42 0B 0 -8,-2.7 -8,-3.4 -2,-0.4 2,-0.4 -0.764 11.1-139.1-103.3 153.6 80.7 57.4 10.3 51 50 A L E +C 41 0B 8 -2,-0.3 2,-0.3 69,-0.2 73,-0.2 -0.873 24.1 164.8-116.0 142.3 78.8 56.1 7.3 52 51 A G E -C 40 0B 0 -12,-1.7 -12,-2.7 -2,-0.4 2,-0.3 -0.929 17.0-153.1-142.5 167.8 75.3 54.6 7.1 53 52 A E E +C 39 0B 4 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.998 23.1 147.6-148.9 139.4 73.0 54.0 4.1 54 53 A T E -C 38 0B 0 -16,-2.1 -16,-2.4 -2,-0.3 276,-0.1 -0.807 48.2 -54.4-153.3-171.5 69.2 53.8 3.8 55 54 A Y - 0 0 6 -18,-0.2 -18,-0.2 -2,-0.2 -1,-0.1 -0.198 35.5-148.0 -69.4 170.3 66.2 54.5 1.5 56 55 A A + 0 0 1 -20,-0.4 -19,-0.1 -19,-0.1 -1,-0.1 0.179 39.5 142.6-132.6 20.0 65.6 58.0 -0.1 57 56 A D > - 0 0 10 -21,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.264 63.2-107.4 -55.0 150.4 61.9 58.5 -0.4 58 57 A T H > S+ 0 0 57 344,-0.9 4,-1.7 1,-0.2 5,-0.2 0.889 117.8 44.7 -45.1 -55.8 60.7 62.1 0.3 59 58 A V H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 111.8 54.2 -66.4 -33.8 59.1 61.5 3.7 60 59 A H H > S+ 0 0 2 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.912 104.8 53.8 -65.4 -42.5 62.1 59.3 4.8 61 60 A L H X S+ 0 0 30 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.891 108.8 49.5 -57.7 -41.0 64.6 62.1 4.0 62 61 A E H X S+ 0 0 125 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.891 111.6 48.6 -63.3 -43.2 62.5 64.5 6.1 63 62 A R H X S+ 0 0 32 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.899 108.6 53.4 -64.1 -40.1 62.5 62.0 9.0 64 63 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.894 108.7 50.4 -61.9 -38.8 66.3 61.5 8.6 65 64 A Q H X S+ 0 0 101 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.920 110.5 48.5 -65.9 -42.8 66.7 65.3 8.9 66 65 A A H X S+ 0 0 44 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.892 112.9 48.8 -64.2 -37.6 64.6 65.4 12.1 67 66 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.926 108.2 53.3 -65.9 -47.8 66.6 62.5 13.6 68 67 A A H X S+ 0 0 7 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.908 110.4 47.6 -55.1 -43.8 69.9 64.1 12.8 69 68 A H H >< S+ 0 0 162 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.910 109.3 54.4 -65.2 -40.5 68.8 67.2 14.6 70 69 A A H 3< S+ 0 0 28 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.713 108.4 47.3 -66.0 -24.3 67.6 65.3 17.6 71 70 A I H >< S+ 0 0 0 -4,-1.3 3,-1.0 -3,-0.5 -62,-0.3 0.456 73.9 123.4-107.6 1.4 70.8 63.4 18.2 72 71 A V T << S+ 0 0 64 -3,-0.8 -62,-0.2 -4,-0.6 3,-0.1 -0.383 76.1 31.4 -56.9 135.3 73.4 66.2 18.0 73 72 A G T 3 S+ 0 0 25 -64,-2.9 2,-0.4 1,-0.3 -1,-0.2 0.715 93.1 121.3 87.2 21.2 75.3 66.2 21.3 74 73 A R < - 0 0 104 -3,-1.0 -65,-2.4 -65,-0.2 -1,-0.3 -0.951 66.9-109.3-121.3 140.5 75.1 62.4 22.0 75 74 A S B > -A 8 0A 17 -2,-0.4 3,-1.6 -67,-0.3 -67,-0.3 -0.367 21.2-131.5 -59.9 140.4 78.0 60.0 22.4 76 75 A V T 3 S+ 0 0 0 -69,-1.9 50,-0.2 1,-0.3 3,-0.2 0.605 109.5 58.7 -71.7 -10.6 78.4 57.5 19.5 77 76 A F T 3 S+ 0 0 93 -70,-0.4 2,-1.0 1,-0.2 3,-0.3 0.558 87.1 79.5 -88.5 -10.3 78.5 54.8 22.1 78 77 A S <> + 0 0 48 -3,-1.6 4,-2.1 1,-0.2 -1,-0.2 -0.361 49.1 145.1 -94.9 58.7 75.1 55.7 23.4 79 78 A T H > + 0 0 6 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.813 67.7 57.9 -69.4 -29.2 73.0 54.0 20.8 80 79 A N H > S+ 0 0 145 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.950 110.8 43.1 -61.7 -49.0 70.2 53.0 23.2 81 80 A V H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.891 110.7 56.9 -62.5 -40.2 69.7 56.7 24.1 82 81 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.909 105.5 49.9 -62.9 -40.6 69.9 57.7 20.4 83 82 A R H X S+ 0 0 52 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.930 110.6 50.0 -63.1 -42.3 67.1 55.4 19.4 84 83 A A H X S+ 0 0 53 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.897 109.3 51.0 -65.2 -39.9 64.9 56.8 22.2 85 84 A L H X S+ 0 0 37 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.872 111.0 49.6 -61.1 -37.7 65.6 60.4 21.1 86 85 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.912 108.7 51.8 -69.1 -40.9 64.7 59.5 17.5 87 86 A S H X>S+ 0 0 26 -4,-2.5 5,-3.3 1,-0.2 4,-0.8 0.955 112.0 47.1 -59.8 -49.4 61.5 57.9 18.7 88 87 A D H ><5S+ 0 0 122 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.913 111.0 51.7 -56.5 -46.2 60.6 61.1 20.6 89 88 A A H 3<5S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.831 111.0 46.7 -62.6 -34.3 61.5 63.3 17.6 90 89 A L H 3<5S- 0 0 24 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.569 118.5-111.2 -83.9 -8.4 59.3 61.3 15.3 91 90 A G T <<5 - 0 0 67 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.811 69.2 -58.3 79.4 32.4 56.4 61.3 17.8 92 91 A G S > + 0 0 18 -2,-0.6 3,-1.6 -3,-0.1 5,-1.3 0.227 21.7 147.6-109.3 15.2 55.6 51.5 3.2 99 98 A S T 3 5S+ 0 0 15 1,-0.2 -44,-0.1 2,-0.2 -2,-0.1 -0.173 71.1 12.9 -60.0 141.0 58.1 54.2 2.3 100 99 A G T 3 5S+ 0 0 6 304,-0.2 -1,-0.2 1,-0.1 -44,-0.1 0.157 119.0 73.5 81.9 -16.7 61.4 53.2 0.7 101 100 A L T X>5S- 0 0 1 -3,-1.6 3,-1.3 4,-0.2 4,-0.6 0.236 104.3-115.4-117.0 10.8 59.9 49.7 0.1 102 101 A A T 345 - 0 0 18 1,-0.3 305,-0.2 302,-0.3 -3,-0.1 0.770 63.6 -72.0 57.9 34.0 57.4 50.4 -2.8 103 102 A G T 34 - 0 0 6 166,-0.5 4,-1.6 189,-0.4 -14,-0.1 -0.397 23.9-150.9 -62.7 131.5 58.8 50.1 12.4 110 109 A V H > S+ 0 0 1 -16,-0.8 4,-1.9 2,-0.2 5,-0.2 0.906 97.4 52.5 -69.8 -40.8 59.3 53.7 11.3 111 110 A V H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.941 109.4 49.7 -61.0 -45.5 61.6 54.4 14.2 112 111 A D H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 109.1 50.6 -62.8 -39.9 63.8 51.4 13.3 113 112 A R H < S+ 0 0 3 -4,-1.6 -1,-0.2 185,-0.2 -2,-0.2 0.859 116.5 42.1 -63.9 -36.1 64.1 52.4 9.6 114 113 A V H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.1 -2,-0.2 0.906 116.9 46.4 -78.0 -40.2 65.1 56.0 10.7 115 114 A F H >X S+ 0 0 7 -4,-3.1 4,-2.5 -5,-0.2 3,-0.8 0.879 96.0 78.6 -67.6 -40.5 67.4 54.9 13.5 116 115 A S H 3X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.3 186,-0.2 0.837 92.9 43.2 -40.9 -60.9 69.2 52.2 11.4 117 116 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.847 115.7 49.9 -62.6 -30.8 71.6 54.3 9.3 118 117 A F H S+ 0 0 0 -4,-2.7 5,-1.5 1,-0.2 4,-1.2 0.916 112.5 49.6 -64.1 -42.0 85.2 50.9 15.4 128 127 A Q H <5S+ 0 0 63 -4,-2.4 3,-0.3 250,-0.2 -2,-0.2 0.928 113.1 45.1 -64.5 -43.9 87.4 53.8 14.0 129 128 A V H <5S+ 0 0 51 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.840 120.1 40.2 -73.4 -28.0 88.1 55.3 17.5 130 129 A T H <5S- 0 0 68 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.514 106.8-121.5 -92.9 -8.1 88.8 51.9 19.1 131 130 A G T <5S+ 0 0 36 -4,-1.2 -3,-0.2 -3,-0.3 -4,-0.1 0.727 71.7 126.2 73.1 20.7 90.8 50.5 16.1 132 131 A R < - 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