==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-FEB-10 3LNT . COMPND 2 MOLECULE: 2,3-BISPHOSPHOGLYCERATE-DEPENDENT PHOSPHOGLYCERAT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 474 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 7.2 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 . 2 0.4 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 . 20 4.2 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 . 142 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.0 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 3 1 2 0 3 2 0 2 0 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 2 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 0 0 0 4 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 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 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 0 106 0, 0.0 2,-0.4 0, 0.0 218,-0.2 0.000 360.0 360.0 360.0 153.6 -25.8 -51.2 -8.6 2 1 A M - 0 0 94 216,-0.1 2,-0.4 217,-0.1 216,-0.2 -0.938 360.0-159.3-110.0 136.1 -24.3 -47.8 -9.0 3 2 A Y E -A 217 0A 35 214,-3.1 214,-3.2 -2,-0.4 2,-0.5 -0.917 7.3-144.9-111.8 144.5 -26.1 -44.5 -8.2 4 3 A K E -A 216 0A 84 -2,-0.4 174,-0.6 212,-0.2 2,-0.4 -0.937 15.4-175.7-110.0 126.7 -25.2 -41.1 -9.5 5 4 A L E -Ab 215 178A 0 210,-2.9 210,-3.3 -2,-0.5 2,-0.5 -0.982 11.1-152.6-120.4 129.3 -25.7 -38.0 -7.3 6 5 A V E -Ab 214 179A 2 172,-2.1 174,-2.6 -2,-0.4 2,-0.3 -0.905 12.5-176.5-109.6 129.8 -25.1 -34.5 -8.6 7 6 A L E -Ab 213 180A 0 206,-2.8 206,-3.0 -2,-0.5 2,-0.3 -0.899 1.2-178.7-114.1 150.6 -24.1 -31.6 -6.3 8 7 A I E - b 0 181A 0 172,-2.3 174,-2.8 -2,-0.3 2,-0.3 -0.951 19.9-141.6-153.3 130.2 -23.5 -28.0 -7.3 9 8 A R E -cb 209 182A 28 199,-0.5 201,-2.2 202,-0.4 174,-0.2 -0.663 45.2 -89.4 -81.7 147.0 -22.5 -25.0 -5.3 10 9 A H - 0 0 2 172,-2.0 200,-0.6 -2,-0.3 52,-0.2 -0.068 48.0 -97.5 -52.6 152.5 -24.3 -21.8 -6.2 11 10 A G - 0 0 0 50,-0.5 22,-0.2 198,-0.3 199,-0.1 -0.229 68.0 -56.2 -60.8 163.3 -22.8 -19.5 -8.9 12 11 A E - 0 0 37 197,-0.1 18,-2.2 20,-0.1 21,-0.4 -0.171 63.2-148.9 -45.0 127.3 -20.7 -16.6 -7.8 13 12 A S B > -G 29 0B 0 16,-0.3 4,-2.4 -3,-0.2 16,-0.3 -0.556 25.2-106.7 -98.1 166.6 -22.7 -14.4 -5.5 14 13 A T H > S+ 0 0 47 14,-2.4 4,-2.2 1,-0.2 5,-0.1 0.907 122.5 45.6 -57.6 -44.1 -22.4 -10.6 -5.0 15 14 A W H 4>S+ 0 0 49 13,-0.3 5,-2.8 2,-0.2 4,-0.3 0.742 105.9 57.7 -77.9 -25.6 -20.7 -11.1 -1.7 16 15 A N H >45S+ 0 0 38 3,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.940 111.9 45.2 -54.7 -49.5 -18.3 -13.8 -3.0 17 16 A K H 3<5S+ 0 0 145 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.894 114.7 46.4 -64.4 -40.1 -17.3 -11.1 -5.5 18 17 A E T 3<5S- 0 0 94 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.369 111.5-120.3 -79.9 0.2 -17.1 -8.4 -2.7 19 18 A N T < 5 + 0 0 59 -3,-1.1 80,-3.0 -4,-0.3 81,-0.5 0.926 62.7 145.5 61.5 45.7 -15.1 -10.8 -0.5 20 19 A R B < -H 98 0C 65 -5,-2.8 78,-0.2 78,-0.3 -1,-0.2 -0.947 57.0-110.2-118.5 141.0 -17.7 -10.7 2.4 21 20 A F + 0 0 0 76,-2.0 75,-3.3 -2,-0.4 76,-0.1 -0.462 40.9 173.2 -62.0 130.6 -18.8 -13.3 4.9 22 21 A T > + 0 0 10 73,-0.2 3,-1.9 -2,-0.2 2,-0.2 0.835 10.7 154.1-109.4 -60.4 -22.4 -14.2 3.9 23 22 A G T 3 S- 0 0 1 1,-0.3 65,-0.3 67,-0.1 67,-0.2 -0.407 83.8 -9.5 65.3-125.4 -23.8 -17.2 5.8 24 23 A W T 3 S+ 0 0 20 -2,-0.2 -1,-0.3 63,-0.1 2,-0.2 0.441 99.4 120.8 -86.9 -1.5 -27.6 -16.9 6.0 25 24 A V < - 0 0 42 -3,-1.9 2,-1.8 1,-0.1 71,-0.1 -0.479 69.7-127.7 -63.6 133.8 -27.8 -13.4 4.5 26 25 A D + 0 0 37 -2,-0.2 -1,-0.1 34,-0.1 -2,-0.1 -0.375 44.6 163.4 -93.7 64.2 -29.8 -13.9 1.4 27 26 A V - 0 0 16 -2,-1.8 34,-0.6 1,-0.1 2,-0.1 -0.374 28.0-124.8 -82.7 163.4 -27.6 -12.3 -1.3 28 27 A D - 0 0 47 1,-0.1 -14,-2.4 32,-0.1 -13,-0.3 -0.289 25.5 -85.4-101.6 178.4 -28.1 -12.9 -5.1 29 28 A L B -G 13 0B 12 -16,-0.3 -16,-0.3 31,-0.1 -1,-0.1 -0.567 34.8-130.7 -77.4 144.3 -25.9 -14.1 -8.0 30 29 A T > - 0 0 21 -18,-2.2 4,-2.1 -2,-0.2 5,-0.1 -0.367 38.2 -97.2 -73.4 173.9 -23.7 -11.7 -10.0 31 30 A E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.890 131.0 53.8 -60.9 -37.0 -24.0 -11.9 -13.8 32 31 A Q H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.930 106.1 51.6 -59.7 -47.1 -21.0 -14.2 -13.7 33 32 A G H > S+ 0 0 0 -21,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.877 108.9 50.9 -57.2 -39.1 -22.8 -16.4 -11.2 34 33 A N H X S+ 0 0 23 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.912 110.8 48.8 -63.3 -43.5 -25.8 -16.5 -13.6 35 34 A R H X S+ 0 0 123 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.866 109.6 52.0 -64.1 -40.6 -23.5 -17.5 -16.5 36 35 A E H X S+ 0 0 31 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.931 111.3 47.3 -61.7 -44.9 -21.9 -20.2 -14.4 37 36 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.897 112.4 48.3 -66.9 -41.4 -25.3 -21.7 -13.5 38 37 A R H X S+ 0 0 72 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.942 113.0 48.8 -62.1 -47.5 -26.5 -21.6 -17.2 39 38 A Q H X S+ 0 0 102 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.908 108.9 54.2 -56.1 -46.0 -23.2 -23.3 -18.3 40 39 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.928 109.9 46.8 -54.9 -47.9 -23.7 -25.9 -15.6 41 40 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.914 111.8 50.4 -60.3 -44.4 -27.2 -26.6 -16.9 42 41 A Q H X S+ 0 0 85 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.922 110.9 49.7 -59.7 -45.4 -25.9 -26.8 -20.5 43 42 A L H X S+ 0 0 39 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.927 111.6 47.7 -60.7 -46.2 -23.1 -29.2 -19.5 44 43 A L H <>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.2 -1,-0.2 0.917 113.6 47.9 -62.9 -41.7 -25.5 -31.5 -17.6 45 44 A K H ><5S+ 0 0 129 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.950 112.2 48.8 -62.6 -48.5 -27.9 -31.5 -20.6 46 45 A E H 3<5S+ 0 0 157 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.840 107.9 54.6 -62.3 -36.1 -25.1 -32.2 -23.1 47 46 A A T 3<5S- 0 0 62 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.383 118.8-111.7 -79.9 3.4 -23.8 -35.1 -21.0 48 47 A G T < 5 + 0 0 66 -3,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.678 63.2 152.6 78.0 19.8 -27.3 -36.7 -21.0 49 48 A Y < + 0 0 33 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.451 17.7 179.7 -75.1 149.3 -28.1 -36.2 -17.3 50 49 A T - 0 0 57 -2,-0.1 2,-0.4 128,-0.0 25,-0.0 -0.949 14.1-141.4-140.8 167.9 -31.6 -35.9 -16.1 51 50 A F - 0 0 11 -2,-0.3 127,-0.2 1,-0.1 3,-0.1 -0.996 17.2-171.0-133.7 137.1 -33.2 -35.4 -12.6 52 51 A D S S+ 0 0 67 125,-2.6 2,-0.3 -2,-0.4 126,-0.2 0.657 83.9 2.4 -86.5 -24.2 -36.3 -36.7 -10.9 53 52 A I E -d 178 0A 20 124,-1.5 126,-1.7 25,-0.1 2,-0.4 -0.978 61.8-150.3-160.7 146.9 -36.0 -34.3 -8.0 54 53 A A E -de 179 80A 1 25,-2.1 27,-2.6 -2,-0.3 2,-0.4 -0.969 5.2-156.5-123.2 145.9 -33.8 -31.5 -6.8 55 54 A Y E +de 180 81A 6 124,-2.8 126,-2.5 -2,-0.4 2,-0.3 -0.967 24.3 159.5-113.6 137.5 -33.0 -30.4 -3.2 56 55 A T E -de 181 82A 0 25,-2.8 27,-2.5 -2,-0.4 30,-0.3 -0.836 36.1-103.1-144.4 178.7 -31.9 -26.8 -2.5 57 56 A S - 0 0 0 124,-0.7 27,-0.2 2,-0.3 -1,-0.1 -0.132 36.4-105.1 -87.7-164.7 -31.7 -24.4 0.4 58 57 A V S S+ 0 0 8 25,-0.3 2,-0.5 24,-0.2 264,-0.2 0.263 90.3 104.3-102.2 10.1 -34.0 -21.4 1.2 59 58 A L S >> S- 0 0 0 1,-0.1 4,-2.1 262,-0.1 3,-1.1 -0.805 71.1-138.3-100.3 131.3 -31.4 -19.0 -0.1 60 59 A K H 3> S+ 0 0 30 -2,-0.5 4,-3.3 1,-0.3 5,-0.3 0.717 97.0 65.3 -68.3 -21.9 -31.8 -17.5 -3.5 61 60 A R H 3> S+ 0 0 3 -34,-0.6 4,-1.1 2,-0.2 -50,-0.5 0.920 112.6 36.2 -64.7 -39.4 -28.2 -17.8 -4.7 62 61 A A H <> S+ 0 0 0 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.908 119.0 49.9 -74.2 -43.9 -28.6 -21.6 -4.6 63 62 A I H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.917 111.4 47.9 -65.5 -41.5 -32.3 -21.5 -5.7 64 63 A R H X S+ 0 0 26 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.868 108.8 55.1 -68.3 -32.1 -31.5 -19.2 -8.7 65 64 A T H X S+ 0 0 0 -4,-1.1 4,-2.0 -5,-0.3 -2,-0.2 0.947 109.9 47.0 -61.2 -44.2 -28.6 -21.5 -9.6 66 65 A L H X S+ 0 0 1 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.928 107.9 55.5 -60.9 -45.9 -31.0 -24.4 -9.6 67 66 A W H X S+ 0 0 18 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.901 107.7 49.0 -55.3 -44.5 -33.5 -22.4 -11.7 68 67 A H H X S+ 0 0 24 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.911 112.0 48.7 -62.1 -41.6 -30.8 -21.8 -14.4 69 68 A V H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.954 114.0 45.6 -63.8 -47.5 -29.9 -25.5 -14.4 70 69 A Q H X>S+ 0 0 9 -4,-3.3 5,-3.0 2,-0.2 4,-0.5 0.891 113.6 50.6 -59.8 -43.2 -33.7 -26.4 -14.7 71 70 A D H ><5S+ 0 0 35 -4,-3.1 3,-1.4 -5,-0.2 -2,-0.2 0.972 112.9 44.5 -59.0 -55.1 -34.2 -23.8 -17.5 72 71 A Q H 3<5S+ 0 0 51 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.825 117.9 44.7 -60.3 -35.9 -31.2 -25.0 -19.5 73 72 A M H 3<5S- 0 0 17 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.406 109.3-120.0 -85.9 -2.7 -32.1 -28.7 -19.1 74 73 A D T <<5S+ 0 0 61 -3,-1.4 -3,-0.2 -4,-0.5 -4,-0.1 0.926 78.4 123.2 56.9 45.7 -35.9 -28.1 -19.8 75 74 A L > < + 0 0 10 -5,-3.0 3,-1.3 -6,-0.1 -4,-0.2 -0.185 16.7 128.9-124.5 39.6 -36.7 -29.5 -16.3 76 75 A M T 3 S+ 0 0 2 -6,-0.3 -5,-0.1 1,-0.3 -1,-0.1 0.674 71.7 56.1 -72.4 -13.4 -38.7 -26.5 -14.9 77 76 A Y T 3 S+ 0 0 30 226,-0.2 -1,-0.3 -7,-0.1 250,-0.2 0.459 80.4 112.9 -95.6 -4.2 -41.5 -28.8 -13.9 78 77 A V S < S- 0 0 9 -3,-1.3 -25,-0.1 1,-0.1 -26,-0.1 -0.349 78.0 -88.6 -77.9 155.5 -39.6 -31.3 -11.7 79 78 A P - 0 0 74 0, 0.0 -25,-2.1 0, 0.0 2,-0.4 -0.307 43.4-166.8 -59.5 136.4 -40.2 -31.6 -7.9 80 79 A V E -e 54 0A 23 245,-0.4 2,-0.6 -27,-0.2 245,-0.4 -0.996 10.0-158.3-128.4 129.8 -38.0 -29.3 -5.8 81 80 A V E -e 55 0A 51 -27,-2.6 -25,-2.8 -2,-0.4 2,-0.5 -0.939 7.7-161.9-105.6 117.2 -37.5 -29.5 -2.0 82 81 A H E +e 56 0A 36 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.904 17.3 177.3-100.0 122.4 -36.3 -26.3 -0.4 83 82 A S > - 0 0 15 -27,-2.5 3,-2.0 -2,-0.5 -25,-0.3 -0.993 38.5-146.3-135.5 126.4 -34.8 -26.9 3.0 84 83 A W G > S+ 0 0 36 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.748 98.7 75.9 -53.9 -22.4 -33.2 -24.6 5.5 85 84 A R G 3 S+ 0 0 55 1,-0.3 -1,-0.3 -29,-0.1 -28,-0.1 0.699 91.4 52.6 -70.2 -16.6 -31.0 -27.6 6.3 86 85 A L G < S+ 0 0 2 -3,-2.0 97,-0.4 -30,-0.3 -1,-0.3 0.395 84.5 125.7 -94.3 3.9 -29.1 -27.0 3.1 87 86 A N S < S- 0 0 0 -3,-1.9 3,-0.1 -4,-0.2 -63,-0.1 -0.229 71.6 -93.4 -54.3 149.8 -28.4 -23.4 4.0 88 87 A E - 0 0 14 -65,-0.3 -1,-0.1 1,-0.2 2,-0.1 -0.119 60.3 -74.3 -47.9 154.8 -24.8 -22.2 4.0 89 88 A R - 0 0 4 1,-0.1 2,-0.4 -66,-0.1 -1,-0.2 -0.375 56.2-108.7 -53.0 132.8 -23.0 -22.3 7.4 90 89 A H - 0 0 4 -67,-0.2 61,-1.9 62,-0.2 -67,-0.1 -0.566 27.8-160.8 -71.6 122.4 -24.3 -19.5 9.6 91 90 A Y > - 0 0 15 -2,-0.4 3,-1.6 1,-0.2 4,-0.2 0.304 18.1-157.1 -89.9 7.3 -21.6 -16.8 9.9 92 91 A G G > - 0 0 0 1,-0.3 3,-2.0 2,-0.2 32,-0.3 -0.131 67.4 -9.7 56.2-141.4 -22.9 -15.1 13.1 93 92 A A G 3 S+ 0 0 32 30,-2.6 -1,-0.3 1,-0.3 31,-0.1 0.638 128.8 70.1 -68.9 -12.4 -21.8 -11.5 13.7 94 93 A L G X S+ 0 0 4 -3,-1.6 3,-2.6 29,-0.5 -73,-0.3 0.678 70.0 117.0 -72.0 -17.8 -19.3 -11.8 10.8 95 94 A S T < S+ 0 0 5 -3,-2.0 -73,-0.2 1,-0.3 3,-0.1 -0.316 83.4 14.4 -61.4 117.7 -22.2 -11.9 8.3 96 95 A G T 3 S+ 0 0 21 -75,-3.3 -1,-0.3 1,-0.4 2,-0.3 0.296 98.5 120.9 100.8 -9.6 -21.9 -8.8 6.1 97 96 A L < - 0 0 71 -3,-2.6 -76,-2.0 -76,-0.1 -1,-0.4 -0.659 69.5-110.3 -90.8 146.8 -18.3 -7.9 7.1 98 97 A N B > -H 20 0C 24 -2,-0.3 4,-2.4 -78,-0.2 -78,-0.3 -0.540 20.9-138.8 -73.2 134.2 -15.5 -7.7 4.6 99 98 A K H > S+ 0 0 48 -80,-3.0 4,-1.9 -2,-0.2 5,-0.1 0.903 101.4 47.5 -63.9 -42.9 -13.0 -10.6 5.1 100 99 A A H > S+ 0 0 59 -81,-0.5 4,-2.8 2,-0.2 5,-0.2 0.942 113.3 47.7 -63.6 -48.1 -9.9 -8.4 4.5 101 100 A E H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.893 111.5 51.6 -60.7 -40.2 -11.1 -5.7 6.9 102 101 A T H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.875 111.3 46.8 -63.1 -39.9 -12.0 -8.3 9.5 103 102 A A H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.890 110.6 52.4 -69.7 -41.0 -8.4 -9.8 9.2 104 103 A A H < S+ 0 0 88 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.938 115.9 42.7 -56.5 -44.9 -6.9 -6.4 9.4 105 104 A K H < S+ 0 0 152 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.886 129.8 20.5 -73.2 -40.6 -8.9 -5.8 12.6 106 105 A Y H < S- 0 0 115 -4,-2.5 4,-0.3 1,-0.2 -3,-0.2 0.435 110.9-100.5-114.0 -1.3 -8.6 -9.1 14.4 107 106 A G X - 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