==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-DEC-10 3PYG . COMPND 2 MOLECULE: 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.SHAN,X.H.CHEN,T.LIU,H.C.ZHAO,Z.H.RAO,Z.Y.LOU . 298 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 0 1 0 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 0 3 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 4 A G 0 0 102 0, 0.0 44,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 166.1 10.2 7.5 16.1 2 5 A S E -A 44 0A 59 42,-0.1 2,-0.4 2,-0.0 42,-0.2 -0.936 360.0-158.5-134.8 142.0 8.4 4.5 14.7 3 6 A V E -A 43 0A 14 40,-2.2 40,-2.6 -2,-0.3 2,-0.4 -0.994 7.7-167.1-124.8 135.9 7.7 0.9 15.7 4 7 A T E -A 42 0A 31 -2,-0.4 293,-3.5 38,-0.2 294,-1.3 -0.946 1.3-167.3-117.6 140.1 6.8 -1.9 13.4 5 8 A V E -AB 41 296A 0 36,-3.0 36,-2.8 -2,-0.4 2,-0.5 -0.952 11.5-146.9-124.6 133.6 5.4 -5.2 14.4 6 9 A R E +AB 40 295A 70 289,-2.6 289,-2.3 -2,-0.4 34,-0.2 -0.875 21.6 178.8-100.0 132.5 5.2 -8.3 12.1 7 10 A V E -A 39 0A 0 32,-2.3 32,-2.9 -2,-0.5 2,-0.2 -0.999 15.9-138.4-140.6 136.7 2.2 -10.5 12.9 8 11 A P E -A 38 0A 5 0, 0.0 30,-0.2 0, 0.0 2,-0.1 -0.500 11.9-122.2 -94.4 162.2 1.2 -13.8 11.0 9 12 A G E -A 35 0A 2 28,-2.8 26,-2.1 26,-0.6 2,-0.3 -0.461 34.5-131.2 -86.5 173.8 -2.1 -15.2 9.9 10 13 A K E -A 34 0A 18 90,-1.9 2,-0.3 24,-0.2 24,-0.2 -0.884 16.1-159.0-126.7 160.1 -3.2 -18.6 11.1 11 14 A V E -A 33 0A 0 22,-3.0 22,-2.5 -2,-0.3 2,-0.6 -0.923 25.3-123.7-121.3 161.1 -4.6 -22.0 10.0 12 15 A N E -A 32 0A 8 -2,-0.3 241,-0.3 20,-0.2 20,-0.2 -0.918 22.0-178.0-101.8 114.9 -6.5 -24.6 12.2 13 16 A L E S+ 0 0 1 18,-2.4 207,-2.2 -2,-0.6 2,-0.3 0.732 77.3 15.4 -77.4 -29.9 -4.8 -27.9 12.1 14 17 A Y E +Ac 31 220A 11 17,-0.9 17,-2.0 205,-0.2 2,-0.3 -0.983 66.8 178.6-146.8 136.7 -7.4 -29.6 14.3 15 18 A L E -Ac 30 221A 3 205,-0.9 207,-2.8 -2,-0.3 2,-0.4 -0.901 4.8-175.3-149.5 118.9 -10.9 -28.3 15.1 16 19 A A E -A 29 0A 15 13,-2.7 13,-2.2 -2,-0.3 2,-0.5 -0.919 11.6-158.6-108.3 133.2 -13.5 -30.1 17.3 17 20 A V E -A 28 0A 1 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.961 12.5-137.6-117.6 119.9 -16.8 -28.5 17.5 18 21 A G - 0 0 26 9,-3.5 3,-0.1 -2,-0.5 11,-0.0 -0.234 37.5 -79.6 -69.7 161.2 -19.0 -29.4 20.5 19 22 A D - 0 0 100 1,-0.1 8,-0.4 7,-0.1 -1,-0.1 -0.295 56.5 -97.3 -54.8 138.5 -22.8 -30.0 20.1 20 23 A R + 0 0 130 6,-0.1 6,-0.2 -3,-0.1 2,-0.2 -0.330 50.7 164.3 -56.2 140.2 -25.0 -26.9 19.9 21 24 A R > - 0 0 133 4,-1.5 3,-1.8 -3,-0.1 2,-0.4 -0.504 38.2 -19.1-127.9-151.5 -26.7 -25.7 23.2 22 25 A E T 3 S+ 0 0 130 1,-0.4 0, 0.0 2,-0.2 0, 0.0 -0.900 130.7 15.8-108.7 139.9 -28.4 -22.4 24.3 23 26 A D T 3 S- 0 0 156 -2,-0.4 -1,-0.4 0, 0.0 -3,-0.0 -0.324 124.5 -88.6 -90.0 76.9 -28.2 -19.7 23.2 24 27 A G S < S+ 0 0 28 -3,-1.8 -2,-0.2 1,-0.2 2,-0.2 0.746 72.7 155.8 75.7 28.5 -26.7 -21.8 20.3 25 28 A Y - 0 0 86 -6,-0.0 -4,-1.5 -5,-0.0 2,-0.4 -0.559 28.4-158.7 -84.7 147.1 -23.1 -21.8 21.4 26 29 A H - 0 0 14 -2,-0.2 2,-0.2 -6,-0.2 -6,-0.1 -0.994 17.2-133.8-121.3 127.0 -20.7 -24.5 20.3 27 30 A E - 0 0 77 -2,-0.4 -9,-3.5 -8,-0.4 2,-0.4 -0.556 26.1-149.9 -74.6 141.1 -17.6 -25.0 22.4 28 31 A L E -A 17 0A 20 -2,-0.2 2,-0.5 -11,-0.2 -11,-0.2 -0.932 18.9-168.1-114.7 136.7 -14.4 -25.3 20.3 29 32 A T E +A 16 0A 40 -13,-2.2 -13,-2.7 -2,-0.4 2,-0.4 -0.992 27.3 171.0-117.2 127.7 -11.2 -27.1 20.7 30 33 A T E -AD 15 149A 8 119,-2.9 119,-3.3 -2,-0.5 2,-0.7 -0.972 39.8-144.4-140.0 144.0 -8.6 -26.1 18.3 31 34 A V E -AD 14 148A 0 -17,-2.0 -18,-2.4 -2,-0.4 -17,-0.9 -0.945 30.2-161.3-103.3 106.1 -4.9 -26.3 17.3 32 35 A F E -AD 12 147A 19 115,-2.6 115,-2.0 -2,-0.7 2,-0.4 -0.721 5.3-167.6 -85.8 147.3 -4.0 -22.9 15.9 33 36 A H E -AD 11 146A 0 -22,-2.5 -22,-3.0 -2,-0.3 2,-0.4 -0.969 11.8-144.5-144.4 113.8 -0.9 -22.8 13.7 34 37 A A E -A 10 0A 0 111,-2.6 257,-1.1 -2,-0.4 2,-0.3 -0.677 22.2-166.0 -80.2 133.3 0.7 -19.4 12.7 35 38 A V E -A 9 0A 0 -26,-2.1 2,-1.0 -2,-0.4 -26,-0.6 -0.797 34.1 -94.0-123.5 163.5 2.2 -19.4 9.2 36 39 A S E S+ 0 0 46 252,-2.2 2,-0.6 -2,-0.3 253,-0.1 -0.053 87.4 106.6 -78.6 34.1 4.5 -17.1 7.3 37 40 A L E + 0 0 4 -2,-1.0 -28,-2.8 -28,-0.2 2,-0.3 -0.978 59.0 175.4-101.4 122.3 1.9 -15.0 5.6 38 41 A V E -A 8 0A 33 -2,-0.6 2,-0.3 -30,-0.2 55,-0.2 -0.843 37.1-142.6-136.8 154.0 2.2 -11.8 7.6 39 42 A D E -A 7 0A 0 -32,-2.9 -32,-2.3 -2,-0.3 2,-0.5 -0.853 18.3-146.5-106.1 153.7 1.1 -8.2 8.0 40 43 A E E -AE 6 91A 42 51,-2.2 51,-3.2 -2,-0.3 2,-0.5 -0.996 15.1-165.1-123.3 120.8 3.5 -5.4 9.1 41 44 A V E -AE 5 90A 0 -36,-2.8 -36,-3.0 -2,-0.5 2,-0.5 -0.960 2.2-165.4-118.5 126.3 2.0 -2.8 11.2 42 45 A T E -AE 4 89A 34 47,-2.8 47,-2.9 -2,-0.5 2,-0.4 -0.933 3.9-170.6-117.1 127.9 3.7 0.5 11.8 43 46 A V E +AE 3 88A 0 -40,-2.6 -40,-2.2 -2,-0.5 2,-0.3 -0.964 5.5 177.6-125.6 139.1 2.7 2.9 14.5 44 47 A R E -AE 2 87A 156 43,-1.9 43,-2.9 -2,-0.4 -42,-0.1 -0.939 39.2 -98.1-132.0 153.7 3.9 6.5 15.1 45 48 A N E + E 0 86A 92 -44,-0.7 2,-0.3 -2,-0.3 41,-0.3 -0.488 54.0 168.6 -66.0 146.5 2.9 9.1 17.6 46 49 A A - 0 0 32 39,-2.1 3,-0.0 -2,-0.1 4,-0.0 -0.962 49.2-108.6-156.0 164.6 0.4 11.5 16.1 47 50 A D S S+ 0 0 154 -2,-0.3 2,-0.3 1,-0.1 39,-0.1 0.837 102.4 16.1 -65.0 -40.3 -2.0 14.2 17.1 48 51 A V S S- 0 0 106 37,-0.1 2,-0.3 -3,-0.0 -1,-0.1 -0.924 92.9 -87.9-135.2 160.1 -5.1 12.0 16.5 49 52 A L + 0 0 22 -2,-0.3 2,-0.3 36,-0.1 38,-0.2 -0.533 54.7 169.4 -66.2 125.3 -5.9 8.3 16.1 50 53 A S E -f 87 0A 56 36,-2.2 38,-2.7 -2,-0.3 2,-0.4 -0.995 19.0-163.0-137.8 156.8 -5.5 7.4 12.4 51 54 A L E +f 88 0A 14 12,-0.4 2,-0.4 -2,-0.3 38,-0.2 -0.991 9.7 172.7-138.8 127.8 -5.4 4.1 10.4 52 55 A E E -f 89 0A 120 36,-2.7 38,-3.3 -2,-0.4 2,-0.4 -0.991 9.8-164.3-130.5 141.8 -4.3 3.4 6.8 53 56 A L E +f 90 0A 16 -2,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.973 8.5 175.6-122.7 145.2 -3.9 0.0 5.0 54 57 A V E +f 91 0A 57 36,-2.8 38,-3.0 -2,-0.4 2,-0.2 -0.903 34.8 80.6-136.0 162.1 -2.0 -0.9 1.8 55 58 A G S > S- 0 0 36 -2,-0.3 3,-2.4 36,-0.2 4,-0.4 -0.473 90.8 -42.2 119.3 170.5 -1.5 -4.3 0.2 56 59 A E T 3 S+ 0 0 174 36,-0.5 3,-0.3 1,-0.3 -1,-0.2 0.749 135.4 17.4 -43.3 -56.3 -3.5 -6.6 -2.0 57 60 A G T >> S+ 0 0 6 1,-0.2 3,-2.0 37,-0.1 4,-0.5 0.291 89.3 116.4-101.7 18.5 -7.0 -6.4 -0.5 58 61 A A G X4 + 0 0 10 -3,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.793 66.8 65.7 -56.1 -34.7 -6.4 -3.2 1.5 59 62 A D G 34 S+ 0 0 170 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.708 95.0 57.8 -55.1 -32.0 -9.1 -1.3 -0.6 60 63 A Q G <4 S+ 0 0 140 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.730 91.1 94.3 -73.7 -23.0 -11.9 -3.5 0.8 61 64 A L S << S- 0 0 51 -3,-1.2 -8,-0.1 -4,-0.5 6,-0.1 -0.502 75.0-119.3 -93.3 138.9 -11.2 -2.7 4.5 62 65 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.357 15.2-161.1 -58.7 142.8 -12.7 -0.1 6.8 63 66 A T + 0 0 74 6,-0.0 -12,-0.4 4,-0.0 2,-0.2 -0.115 68.6 62.5-113.8 31.2 -10.1 2.4 8.1 64 67 A D S > S- 0 0 46 -14,-0.1 3,-1.9 0, 0.0 6,-0.3 -0.431 113.3 -45.3-131.6-151.8 -12.3 3.6 11.1 65 68 A E T 3 S+ 0 0 106 1,-0.3 6,-0.2 -2,-0.2 5,-0.1 0.707 124.2 68.3 -59.9 -25.7 -13.8 2.1 14.2 66 69 A R T 3 S+ 0 0 182 4,-0.1 2,-0.5 5,-0.0 -1,-0.3 0.782 82.1 91.0 -67.0 -21.6 -15.1 -1.0 12.4 67 70 A N S X> S- 0 0 11 -3,-1.9 3,-1.6 1,-0.1 4,-1.5 -0.628 76.8-141.6 -79.3 123.0 -11.5 -2.1 12.0 68 71 A L H 3> S+ 0 0 38 -2,-0.5 4,-2.5 1,-0.3 -1,-0.1 0.785 103.4 60.5 -49.7 -36.7 -10.3 -4.3 14.9 69 72 A A H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.825 103.2 52.1 -60.7 -29.2 -6.9 -2.6 14.7 70 73 A W H <> S+ 0 0 34 -3,-1.6 4,-1.8 -6,-0.3 -2,-0.2 0.932 110.3 46.7 -75.4 -39.3 -8.8 0.7 15.5 71 74 A Q H X S+ 0 0 74 -4,-1.5 4,-3.0 -6,-0.2 5,-0.3 0.893 107.9 57.3 -68.0 -41.6 -10.5 -0.9 18.5 72 75 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.946 107.0 48.4 -54.5 -51.0 -7.1 -2.4 19.7 73 76 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.906 112.7 48.2 -58.3 -45.3 -5.6 1.1 19.8 74 77 A E H X S+ 0 0 76 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.945 115.2 43.6 -57.4 -50.3 -8.6 2.5 21.7 75 78 A L H X S+ 0 0 22 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.881 114.2 49.9 -67.0 -41.0 -8.6 -0.3 24.3 76 79 A M H X S+ 0 0 0 -4,-2.9 4,-0.9 -5,-0.3 -1,-0.2 0.954 114.2 44.6 -65.8 -49.2 -4.8 -0.2 24.7 77 80 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.3 3,-1.3 0.957 113.8 50.2 -57.9 -51.3 -4.8 3.6 25.2 78 81 A E H ><5S+ 0 0 121 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.894 101.8 62.4 -55.2 -40.3 -7.8 3.4 27.6 79 82 A H H 3<5S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.715 113.0 36.0 -56.3 -28.1 -6.1 0.6 29.7 80 83 A V T <<5S- 0 0 54 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.135 119.7-108.9-113.9 17.0 -3.2 3.0 30.6 81 84 A G T < 5S+ 0 0 74 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.705 75.9 127.0 69.1 26.9 -5.5 6.0 30.8 82 85 A R < - 0 0 109 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.671 65.3-104.6-116.5 161.7 -4.2 7.7 27.6 83 86 A A - 0 0 51 -2,-0.2 2,-2.1 1,-0.1 -9,-0.0 -0.619 38.2-115.9 -77.5 143.3 -5.6 9.1 24.4 84 87 A P + 0 0 35 0, 0.0 2,-3.0 0, 0.0 -34,-0.1 -0.259 51.5 164.8 -77.8 56.5 -5.0 6.8 21.3 85 88 A D + 0 0 68 -2,-2.1 -39,-2.1 -36,-0.1 2,-0.3 -0.309 32.3 109.7 -76.2 65.3 -2.8 9.5 19.8 86 89 A V E -E 45 0A 0 -2,-3.0 -36,-2.2 -41,-0.3 2,-0.5 -0.968 59.9-137.2-140.2 151.2 -1.2 7.3 17.3 87 90 A S E -Ef 44 50A 28 -43,-2.9 -43,-1.9 -2,-0.3 2,-0.5 -0.946 20.3-158.8-111.4 141.2 -1.2 6.7 13.5 88 91 A I E -Ef 43 51A 3 -38,-2.7 -36,-2.7 -2,-0.5 2,-0.5 -0.919 8.9-173.5-123.2 124.9 -1.3 3.1 12.3 89 92 A M E -Ef 42 52A 62 -47,-2.9 -47,-2.8 -2,-0.5 2,-0.6 -0.984 11.7-159.8-122.3 119.5 -0.1 2.1 8.8 90 93 A I E -Ef 41 53A 0 -38,-3.3 -36,-2.8 -2,-0.5 2,-0.8 -0.913 12.3-160.3-109.6 121.0 -0.8 -1.5 7.9 91 94 A D E -Ef 40 54A 88 -51,-3.2 -51,-2.2 -2,-0.6 2,-0.4 -0.880 26.2-156.1 -89.2 103.7 1.1 -3.3 5.2 92 95 A K + 0 0 13 -38,-3.0 -36,-0.5 -2,-0.8 -53,-0.2 -0.690 39.9 143.8 -96.7 126.6 -1.3 -6.2 4.5 93 96 A S + 0 0 60 -2,-0.4 -54,-0.2 -55,-0.2 -1,-0.1 0.312 45.8 104.9-128.1 -6.2 -0.3 -9.6 3.0 94 97 A I S S- 0 0 2 -57,-0.1 -37,-0.1 1,-0.1 4,-0.1 -0.696 91.2-102.1 -78.6 126.1 -2.6 -11.9 4.9 95 98 A P > - 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0 0 3 -5,-0.3 -5,-2.8 -159,-0.1 2,-0.4 -0.302 64.7-146.7 -62.1 139.0 -9.5 -21.8 2.6 258 261 A C E -JK 170 251C 3 -88,-2.7 -88,-2.7 -7,-0.2 2,-0.5 -0.905 6.9-157.6-116.1 134.7 -7.7 -25.1 2.1 259 262 A A E -JK 169 250C 1 -9,-3.0 -9,-2.2 -2,-0.4 2,-0.5 -0.940 8.3-168.3-113.4 126.0 -4.4 -26.0 3.8 260 263 A F E -JK 168 249C 0 -92,-2.4 -92,-2.1 -2,-0.5 2,-0.4 -0.970 12.0-145.4-119.7 123.5 -2.2 -28.7 2.3 261 264 A L E -JK 167 248C 0 -13,-1.4 -14,-2.4 -2,-0.5 -13,-1.0 -0.670 21.2-173.0 -84.5 130.2 0.7 -30.2 4.1 262 265 A C E -J 166 0C 1 -96,-2.7 -96,-0.7 -2,-0.4 -16,-0.1 -0.744 33.4-116.9-118.3 163.2 3.7 -31.1 1.9 263 266 A T S S- 0 0 71 -18,-0.3 2,-0.3 -2,-0.2 -50,-0.1 0.742 86.8 -12.3 -72.2 -21.6 7.0 -33.0 2.7 264 267 A S S > S- 0 0 42 1,-0.1 4,-2.8 -98,-0.1 5,-0.2 -0.966 74.6 -87.2-167.9 172.0 9.3 -30.0 2.0 265 268 A A H > S+ 0 0 51 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.940 124.7 49.9 -62.8 -45.0 9.8 -26.5 0.6 266 269 A S H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 111.1 47.5 -57.6 -51.4 10.5 -28.0 -2.9 267 270 A S H > S+ 0 0 24 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.932 108.7 54.2 -62.4 -44.4 7.5 -30.2 -2.8 268 271 A A H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.876 108.2 51.2 -54.8 -38.7 5.2 -27.3 -1.6 269 272 A I H X S+ 0 0 107 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.961 112.2 45.6 -65.8 -41.8 6.4 -25.2 -4.6 270 273 A D H X S+ 0 0 86 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.948 114.5 47.7 -64.5 -46.6 5.7 -28.1 -7.0 271 274 A V H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.3 0.952 113.5 48.2 -58.9 -50.2 2.3 -28.7 -5.4 272 275 A G H X S+ 0 0 8 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.920 109.7 52.3 -55.8 -49.5 1.5 -25.0 -5.5 273 276 A A H X S+ 0 0 64 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.931 113.3 45.0 -52.0 -49.9 2.5 -24.7 -9.2 274 277 A Q H X S+ 0 0 93 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.857 114.9 46.0 -64.3 -41.9 0.2 -27.6 -10.1 275 278 A L H <>S+ 0 0 2 -4,-2.7 5,-0.8 -5,-0.2 6,-0.4 0.846 112.5 50.8 -70.2 -37.1 -2.7 -26.4 -8.1 276 279 A S H ><5S+ 0 0 79 -4,-2.7 3,-0.7 -5,-0.3 -1,-0.2 0.855 112.3 47.8 -62.1 -37.1 -2.3 -22.9 -9.4 277 280 A G H 3<5S+ 0 0 67 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.774 104.9 60.1 -76.7 -29.6 -2.2 -24.4 -13.0 278 281 A A T 3<5S- 0 0 64 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.418 96.4-138.4 -82.5 0.9 -5.3 -26.5 -12.4 279 282 A G T < 5 + 0 0 62 -3,-0.7 -3,-0.1 -4,-0.2 -2,-0.1 0.797 62.6 127.4 38.8 46.6 -7.6 -23.5 -11.6 280 283 A V S