==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-SEP-04 1XE4 . COMPND 2 MOLECULE: FEMX; . SOURCE 2 ORGANISM_SCIENTIFIC: WEISSELLA VIRIDESCENS; . AUTHOR S.BIARROTTE-SORIN,A.P.MAILLARD,M.ARTHUR,C.MAYER . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 19.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 30 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 0 2 1 0 1 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 . 3 1 2 2 0 1 0 3 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 0 0 1 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 1 A P 0 0 54 0, 0.0 44,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 174.8 -9.4 -17.4 -0.7 2 2 A V B -A 44 0A 89 42,-0.2 2,-0.4 94,-0.0 42,-0.2 -0.814 360.0-118.0-101.0 140.0 -5.6 -17.4 -0.5 3 3 A L - 0 0 5 40,-3.1 2,-1.0 -2,-0.4 40,-0.4 -0.639 14.2-141.6 -82.1 128.9 -3.6 -14.7 -2.3 4 4 A N > - 0 0 92 -2,-0.4 3,-2.3 1,-0.2 7,-0.4 -0.781 8.9-161.4 -90.2 104.0 -1.2 -15.9 -5.0 5 5 A L T 3 S+ 0 0 75 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.0 0.603 87.9 62.2 -61.8 -11.0 1.8 -13.6 -4.5 6 6 A N T 3 S+ 0 0 144 1,-0.1 -1,-0.3 5,-0.0 3,-0.1 0.395 84.0 84.9 -94.8 0.6 3.0 -14.5 -8.0 7 7 A D <> - 0 0 64 -3,-2.3 4,-2.9 1,-0.2 3,-0.3 -0.839 61.8-166.9-105.5 94.7 -0.2 -13.1 -9.6 8 8 A P H > S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.881 87.9 50.6 -46.9 -46.1 0.5 -9.3 -10.1 9 9 A Q H > S+ 0 0 162 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.905 111.5 45.4 -62.4 -44.3 -3.1 -8.6 -10.8 10 10 A A H > S+ 0 0 18 -3,-0.3 4,-2.1 1,-0.2 3,-0.4 0.964 114.2 50.8 -61.6 -50.0 -4.4 -10.5 -7.7 11 11 A V H X S+ 0 0 33 -4,-2.9 4,-2.5 -7,-0.4 -2,-0.2 0.845 106.2 55.5 -53.7 -40.3 -1.8 -8.8 -5.7 12 12 A E H X S+ 0 0 82 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.892 108.2 47.7 -63.0 -41.1 -2.8 -5.4 -7.1 13 13 A R H X S+ 0 0 88 -4,-1.7 4,-1.7 -3,-0.4 -2,-0.2 0.898 110.3 52.1 -67.0 -41.0 -6.4 -5.9 -5.9 14 14 A Y H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.932 112.7 45.1 -59.6 -48.8 -5.3 -7.0 -2.5 15 15 A E H X S+ 0 0 15 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.895 108.7 55.6 -63.4 -42.7 -3.2 -3.9 -2.1 16 16 A E H X S+ 0 0 82 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.838 110.1 46.8 -61.2 -32.3 -5.9 -1.6 -3.4 17 17 A F H X S+ 0 0 39 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.920 114.9 46.7 -73.7 -44.0 -8.2 -2.9 -0.7 18 18 A M H >< S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.944 113.8 46.4 -61.6 -50.9 -5.6 -2.5 2.0 19 19 A R H 3< S+ 0 0 121 -4,-3.4 230,-0.3 1,-0.2 -1,-0.2 0.752 117.8 42.9 -65.6 -25.7 -4.5 1.0 1.0 20 20 A Q H 3< S+ 0 0 146 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.562 89.7 104.9 -98.6 -9.1 -8.1 2.2 0.7 21 21 A S X< - 0 0 9 -4,-1.2 3,-2.4 -3,-0.5 229,-0.1 -0.518 68.2-140.2 -76.7 133.0 -9.5 0.6 3.8 22 22 A P T 3 S+ 0 0 79 0, 0.0 228,-0.4 0, 0.0 -1,-0.1 0.677 108.9 54.0 -64.9 -9.9 -10.2 2.8 6.8 23 23 A Y T 3 S+ 0 0 106 226,-0.1 56,-0.2 2,-0.1 87,-0.1 0.331 81.9 136.7-102.1 5.2 -8.9 -0.2 8.8 24 24 A G < - 0 0 4 -3,-2.4 226,-0.4 -6,-0.1 2,-0.3 -0.169 32.2-170.8 -55.1 145.5 -5.6 -0.3 6.8 25 25 A Q >> - 0 0 21 224,-0.1 3,-1.9 1,-0.1 4,-0.6 -0.997 28.7-134.1-139.1 137.1 -2.4 -0.9 8.7 26 26 A V G >4 S+ 0 0 5 -2,-0.3 3,-0.9 1,-0.3 6,-0.4 0.855 108.6 59.1 -61.0 -33.2 1.2 -0.6 7.3 27 27 A T G 34 S+ 0 0 5 1,-0.2 -1,-0.3 4,-0.1 47,-0.3 0.466 106.5 49.1 -75.1 0.1 2.0 -3.9 9.1 28 28 A Q G <4 S+ 0 0 0 -3,-1.9 -1,-0.2 47,-0.1 -2,-0.2 0.440 88.7 105.0-111.8 -9.3 -0.7 -5.6 7.0 29 29 A D S XX S- 0 0 11 -3,-0.9 3,-1.3 -4,-0.6 4,-0.5 -0.338 84.2-116.9 -69.4 154.6 0.4 -4.1 3.7 30 30 A L H >> S+ 0 0 21 1,-0.3 4,-0.7 2,-0.2 3,-0.7 0.770 112.6 69.1 -65.8 -22.3 2.2 -6.5 1.4 31 31 A G H >> S+ 0 0 5 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.797 86.3 68.0 -65.9 -25.0 5.3 -4.4 1.7 32 32 A W H <> S+ 0 0 23 -3,-1.3 4,-2.8 -6,-0.4 3,-0.3 0.876 92.1 58.1 -63.0 -36.6 5.6 -5.5 5.3 33 33 A A H << S+ 0 0 24 -3,-0.7 6,-0.3 -4,-0.5 -1,-0.2 0.842 103.3 54.8 -61.8 -31.4 6.5 -9.0 4.2 34 34 A K H X< S+ 0 0 134 -4,-0.7 3,-0.7 -3,-0.5 -1,-0.2 0.840 109.0 47.0 -70.1 -34.1 9.4 -7.5 2.3 35 35 A V H 3< S+ 0 0 0 -4,-1.3 2,-1.4 -3,-0.3 -2,-0.2 0.951 114.8 45.9 -70.3 -50.1 10.6 -5.9 5.5 36 36 A M T >< S+ 0 0 29 -4,-2.8 3,-2.3 1,-0.2 -1,-0.3 -0.371 73.1 153.8 -87.8 55.8 10.2 -9.1 7.5 37 37 A N T < + 0 0 97 -2,-1.4 -1,-0.2 -3,-0.7 -2,-0.1 0.578 64.0 66.7 -65.2 -6.1 11.9 -11.1 4.7 38 38 A N T 3 S+ 0 0 114 -3,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.593 94.1 71.4 -88.1 -11.0 13.0 -13.7 7.3 39 39 A W S < S- 0 0 72 -3,-2.3 23,-0.2 -6,-0.3 21,-0.0 -0.627 87.2-111.7-101.6 162.7 9.3 -14.7 7.9 40 40 A E E - B 0 61A 65 21,-2.2 21,-2.8 -2,-0.2 2,-0.4 -0.829 29.0-138.6 -98.0 125.8 7.0 -16.7 5.6 41 41 A P E + B 0 60A 52 0, 0.0 2,-0.4 0, 0.0 19,-0.2 -0.670 26.8 167.9 -88.4 136.4 4.0 -14.7 4.1 42 42 A V E - B 0 59A 13 17,-2.2 17,-2.4 -2,-0.4 2,-0.4 -0.939 13.4-175.6-144.0 114.2 0.6 -16.2 3.8 43 43 A D E + B 0 58A 3 -40,-0.4 -40,-3.1 -2,-0.4 2,-0.3 -0.943 4.5 176.4-121.5 140.6 -2.3 -13.8 2.9 44 44 A V E +AB 2 57A 0 13,-2.2 13,-2.4 -2,-0.4 2,-0.3 -0.826 1.9 177.7-133.3 171.2 -6.0 -14.4 2.7 45 45 A Y E - B 0 56A 22 -44,-1.9 2,-0.3 -2,-0.3 11,-0.3 -0.981 21.1-127.3-165.8 166.1 -9.2 -12.4 2.1 46 46 A L E - B 0 55A 9 9,-2.6 8,-2.5 -2,-0.3 9,-1.2 -0.898 18.0-152.6-122.1 151.5 -13.0 -12.6 1.6 47 47 A E E - B 0 53A 64 -2,-0.3 6,-0.2 6,-0.3 2,-0.1 -0.832 12.4-130.1-120.0 158.6 -15.1 -11.3 -1.2 48 48 A D > - 0 0 61 4,-2.2 3,-1.6 -2,-0.3 -1,-0.1 -0.220 48.1 -80.8 -92.7-168.1 -18.7 -10.1 -1.2 49 49 A D T 3 S+ 0 0 159 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.734 131.5 59.1 -68.5 -19.2 -21.3 -11.3 -3.7 50 50 A Q T 3 S- 0 0 156 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.373 117.1-112.4 -88.3 3.0 -20.0 -8.8 -6.2 51 51 A G S < S+ 0 0 29 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.620 73.5 138.6 76.0 10.9 -16.5 -10.3 -6.0 52 52 A A - 0 0 44 1,-0.1 -4,-2.2 2,-0.0 -1,-0.3 -0.689 61.9-106.2 -89.3 142.5 -15.2 -7.2 -4.3 53 53 A I E +B 47 0A 20 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.518 42.7 166.9 -71.3 130.5 -12.7 -7.7 -1.4 54 54 A I E + 0 0 53 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.504 63.8 19.0-119.5 -13.3 -14.3 -7.0 1.9 55 55 A A E +B 46 0A 0 -9,-1.2 -9,-2.6 24,-0.1 -1,-0.4 -0.966 61.0 179.0-160.4 143.1 -11.8 -8.4 4.4 56 56 A A E -BC 45 78A 0 22,-1.5 22,-2.7 -2,-0.3 2,-0.3 -0.978 10.5-165.8-146.9 157.4 -8.1 -9.3 4.3 57 57 A M E -B 44 0A 0 -13,-2.4 -13,-2.2 -2,-0.3 2,-0.7 -0.908 7.5-158.3-149.5 116.8 -5.4 -10.7 6.6 58 58 A S E -B 43 0A 10 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.860 21.1-171.4 -98.3 114.3 -1.6 -10.7 6.0 59 59 A M E -B 42 0A 0 -17,-2.4 -17,-2.2 -2,-0.7 2,-0.4 -0.761 14.1-159.7-107.9 154.4 0.1 -13.3 8.0 60 60 A L E -BD 41 72A 20 12,-1.6 12,-2.5 -2,-0.3 2,-0.5 -0.999 12.8-145.8-131.7 130.9 3.7 -14.1 8.6 61 61 A L E -BD 40 71A 2 -21,-2.8 -21,-2.2 -2,-0.4 2,-0.3 -0.853 17.2-173.3-103.1 130.9 5.0 -17.4 9.9 62 62 A G E - D 0 70A 8 8,-2.4 8,-2.6 -2,-0.5 2,-0.1 -0.834 24.5-105.8-121.2 160.4 7.9 -17.8 12.2 63 63 A D - 0 0 134 -2,-0.3 6,-0.1 6,-0.2 4,-0.1 -0.425 33.2-175.4 -80.9 157.5 9.9 -20.7 13.6 64 64 A T - 0 0 36 2,-0.6 -1,-0.0 4,-0.3 5,-0.0 -0.780 47.6 -87.4-139.0-179.4 9.7 -21.9 17.2 65 65 A P S S+ 0 0 118 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.437 109.3 64.7 -74.4 4.6 11.5 -24.5 19.3 66 66 A T S S- 0 0 38 2,-0.4 -2,-0.6 1,-0.0 262,-0.0 -0.639 100.1 -98.4-121.5 178.9 8.9 -27.0 18.0 67 67 A D S S+ 0 0 139 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.0 0.456 99.1 83.3 -76.2 0.6 7.8 -28.6 14.7 68 68 A K S S- 0 0 45 257,-0.0 -2,-0.4 34,-0.0 -4,-0.3 -0.770 74.2-129.4-107.6 152.7 5.1 -26.0 14.4 69 69 A K E - e 0 102A 50 32,-2.9 34,-2.3 -2,-0.3 35,-0.7 -0.604 16.0-124.8 -95.9 158.2 5.2 -22.4 13.1 70 70 A F E -De 62 104A 22 -8,-2.6 -8,-2.4 -2,-0.2 2,-0.6 -0.922 24.0-155.9-104.1 113.7 3.9 -19.3 14.8 71 71 A A E +De 61 105A 0 33,-1.9 35,-2.7 -2,-0.6 2,-0.4 -0.834 17.3 177.5 -95.4 122.9 1.4 -17.4 12.6 72 72 A Y E -De 60 106A 21 -12,-2.5 -12,-1.6 -2,-0.6 2,-0.8 -0.982 24.0-168.4-134.2 126.9 1.1 -13.7 13.3 73 73 A A E > - e 0 107A 0 33,-3.0 3,-2.2 -2,-0.4 35,-0.8 -0.804 29.4-141.1-111.9 86.6 -1.0 -11.0 11.6 74 74 A S T 3 S- 0 0 10 -2,-0.8 -16,-0.1 1,-0.3 33,-0.1 -0.286 77.2 -17.2 -55.2 117.5 0.5 -7.8 13.1 75 75 A K T 3 S+ 0 0 4 1,-0.2 35,-0.4 33,-0.2 -1,-0.3 0.719 117.1 159.8 56.7 25.8 -2.3 -5.3 13.8 76 76 A G < + 0 0 0 -3,-2.2 -1,-0.2 33,-0.1 2,-0.1 -0.495 29.9 74.3-109.1-177.0 -4.6 -7.2 11.5 77 77 A P - 0 0 6 0, 0.0 2,-1.0 0, 0.0 -20,-0.2 0.626 61.0-130.9 -82.7 176.6 -6.9 -8.2 10.1 78 78 A V B S+C 56 0A 0 -22,-2.7 -22,-1.5 -2,-0.1 2,-0.3 -0.800 74.2 65.0 -93.7 102.4 -8.1 -5.4 7.9 79 79 A M S S- 0 0 9 -2,-1.0 2,-1.2 -24,-0.2 -24,-0.1 -0.910 103.2 -60.5 167.8 178.8 -11.8 -5.1 8.5 80 80 A D > - 0 0 63 -2,-0.3 3,-2.1 1,-0.2 7,-0.2 -0.748 48.8-169.0 -86.7 95.7 -14.2 -4.3 11.4 81 81 A V T 3 S+ 0 0 1 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.644 78.7 72.7 -63.1 -16.2 -13.1 -7.0 13.8 82 82 A T T 3 S+ 0 0 68 1,-0.2 2,-2.0 -3,-0.1 -1,-0.3 0.696 78.2 83.4 -71.0 -13.9 -16.0 -6.4 16.2 83 83 A D X> + 0 0 73 -3,-2.1 4,-2.0 1,-0.2 3,-0.7 -0.573 66.6 175.7 -85.6 73.0 -18.1 -8.0 13.4 84 84 A V H 3> + 0 0 6 -2,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.720 68.0 58.9 -56.7 -30.4 -17.1 -11.4 14.8 85 85 A D H 3> S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.920 111.1 43.4 -67.1 -40.4 -19.2 -13.5 12.4 86 86 A L H <> S+ 0 0 29 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.886 112.1 54.7 -68.7 -39.1 -17.3 -12.1 9.5 87 87 A L H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.939 104.4 53.1 -58.4 -50.0 -14.0 -12.5 11.5 88 88 A D H X S+ 0 0 33 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.906 109.9 50.1 -52.2 -43.4 -14.7 -16.2 12.0 89 89 A R H X S+ 0 0 131 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.917 112.1 45.3 -62.8 -45.1 -15.1 -16.5 8.3 90 90 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.939 113.9 50.4 -64.9 -44.7 -11.9 -14.7 7.5 91 91 A V H X S+ 0 0 0 -4,-3.4 4,-3.6 1,-0.2 5,-0.2 0.904 104.5 57.0 -60.0 -43.2 -10.1 -16.7 10.1 92 92 A D H X S+ 0 0 88 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.882 108.2 48.5 -57.6 -36.1 -11.4 -20.0 8.7 93 93 A E H X S+ 0 0 56 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.927 111.9 48.8 -68.0 -44.1 -9.8 -19.0 5.4 94 94 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.957 110.4 51.3 -57.9 -50.8 -6.6 -18.2 7.1 95 95 A V H X>S+ 0 0 41 -4,-3.6 4,-1.0 1,-0.2 5,-0.5 0.883 108.5 51.5 -54.6 -42.5 -6.7 -21.5 8.9 96 96 A K H ><5S+ 0 0 163 -4,-2.0 3,-0.7 -5,-0.2 -1,-0.2 0.938 110.6 48.6 -61.4 -45.4 -7.2 -23.3 5.6 97 97 A A H 3<5S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.826 104.1 59.0 -63.7 -35.1 -4.2 -21.6 4.1 98 98 A L H ><5S- 0 0 0 -4,-2.2 3,-2.1 -5,-0.2 -1,-0.2 0.746 89.8-157.7 -66.8 -24.3 -2.0 -22.4 7.1 99 99 A D T <<5 - 0 0 129 -4,-1.0 -3,-0.1 -3,-0.7 -2,-0.1 0.803 61.7 -57.9 49.5 41.8 -2.7 -26.1 6.4 100 100 A G T 3 - 0 0 41 -2,-0.2 4,-2.6 203,-0.1 5,-0.2 -0.879 48.8-122.5-169.5 143.5 -14.1 -3.7 26.4 115 115 A D H > S+ 0 0 102 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.878 113.2 57.5 -60.3 -36.8 -15.4 -6.5 28.5 116 116 A E H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 111.0 39.7 -58.5 -51.8 -18.2 -6.9 26.0 117 117 A F H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.906 114.6 53.2 -66.7 -42.1 -15.9 -7.5 23.0 118 118 A N H X S+ 0 0 16 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.912 110.1 48.6 -59.9 -42.6 -13.5 -9.7 25.1 119 119 A T H X S+ 0 0 65 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.899 109.6 51.3 -65.1 -43.1 -16.4 -11.9 26.1 120 120 A T H X S+ 0 0 37 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.926 109.6 49.8 -61.1 -45.6 -17.7 -12.3 22.6 121 121 A L H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-0.3 0.932 112.8 46.8 -59.6 -44.5 -14.3 -13.3 21.3 122 122 A Q H ><5S+ 0 0 96 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.883 109.2 55.2 -65.3 -36.6 -14.0 -15.9 24.0 123 123 A D H 3<5S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.817 104.6 54.8 -64.7 -30.2 -17.5 -17.0 23.3 124 124 A H T 3<5S- 0 0 60 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.330 127.7 -97.4 -85.7 7.5 -16.4 -17.6 19.7 125 125 A G T < 5S+ 0 0 56 -3,-1.6 198,-0.4 1,-0.3 -3,-0.2 0.367 79.5 133.4 96.9 -5.9 -13.5 -19.8 20.8 126 126 A Y < - 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0 0 71 1,-0.1 -163,-0.3 -164,-0.1 -1,-0.1 -0.277 55.7 -95.1 -62.4 149.2 -6.0 9.2 27.9 313 313 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -165,-0.2 -0.372 41.8-111.4 -65.7 145.1 -3.9 6.5 26.2 314 314 A R E -I 147 0C 88 -167,-2.9 -167,-2.5 -3,-0.1 2,-0.5 -0.584 26.8-152.1 -78.0 142.1 -5.9 4.1 24.0 315 315 A E E -I 146 0C 48 -2,-0.2 -202,-3.1 -169,-0.2 -169,-0.2 -0.956 12.6-154.6-119.9 111.8 -6.2 0.5 25.3 316 316 A Y B -H 112 0B 14 -171,-2.3 -204,-0.3 -2,-0.5 -206,-0.1 -0.327 30.7-104.7 -84.0 165.6 -6.6 -2.1 22.7 317 317 A I - 0 0 0 -206,-2.7 2,-0.3 -208,-0.4 -186,-0.2 0.751 57.9-145.7 -59.1 -26.2 -8.1 -5.6 22.9 318 318 A G - 0 0 5 -209,-0.5 2,-0.4 -207,-0.3 -1,-0.2 -0.694 48.0 -6.5 96.5-149.0 -4.7 -7.1 22.9 319 319 A E E - G 0 129A 0 -190,-2.1 -190,-2.7 -2,-0.3 2,-0.6 -0.749 56.1-160.7 -92.2 131.4 -3.7 -10.4 21.3 320 320 A I E -FG 107 128A 0 -213,-2.4 -213,-1.8 -2,-0.4 2,-0.5 -0.948 13.8-161.3-110.1 114.7 -6.5 -12.6 19.9 321 321 A D E -FG 106 127A 0 -194,-3.6 -194,-2.7 -2,-0.6 2,-1.0 -0.866 18.4-160.4-108.6 129.1 -5.3 -16.2 19.5 322 322 A K E -F 105 0A 48 -217,-2.9 -217,-1.5 -2,-0.5 2,-0.4 -0.866 27.5-143.4 -99.9 97.6 -6.9 -18.9 17.3 323 323 A V E +F 104 0A 45 -2,-1.0 -219,-0.2 -198,-0.4 -220,-0.1 -0.506 33.1 163.0 -67.4 121.0 -5.5 -22.0 19.0 324 324 A L S S+ 0 0 53 -221,-2.0 -220,-0.2 -2,-0.4 -1,-0.2 0.786 72.8 33.1-106.0 -43.1 -4.7 -24.7 16.4 325 325 A D S > S- 0 0 29 -222,-2.2 4,-2.4 1,-0.1 -1,-0.3 -0.897 70.6-168.3-119.1 97.1 -2.3 -27.0 18.2 326 326 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.841 82.5 50.1 -50.8 -49.0 -3.4 -27.1 21.9 327 327 A E H > S+ 0 0 139 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.954 114.5 42.9 -61.2 -52.3 -0.4 -28.9 23.3 328 328 A V H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.886 111.5 56.2 -62.5 -39.8 2.2 -26.7 21.6 329 329 A Y H X S+ 0 0 27 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.953 107.7 47.1 -57.2 -52.0 0.2 -23.5 22.5 330 330 A A H < S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.823 113.2 51.8 -60.2 -31.0 0.2 -24.3 26.2 331 331 A E H < S+ 0 0 96 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.945 122.1 27.6 -70.4 -48.2 4.0 -25.0 25.9 332 332 A L H < S+ 0 0 58 -4,-2.7 2,-0.5 1,-0.1 -2,-0.2 0.596 118.9 55.7 -92.6 -13.2 4.9 -21.8 24.2 333 333 A V < + 0 0 17 -4,-2.9 2,-0.3 -5,-0.3 -1,-0.1 -0.976 59.3 151.4-128.9 123.2 2.2 -19.4 25.5 334 334 A K 0 0 103 -2,-0.5 -3,-0.0 1,-0.1 -4,-0.0 -0.978 360.0 360.0-144.9 154.6 1.4 -18.7 29.1 335 335 A D 0 0 138 -2,-0.3 -201,-1.2 -202,-0.1 -1,-0.1 0.976 360.0 360.0 -68.1 360.0 -0.0 -15.9 31.2