==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-DEC-08 3FK0 . COMPND 2 MOLECULE: 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR ERNST SCHONBRUNN . 427 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0 0 3 2 2 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 4 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 5 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 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 M 0 0 181 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.1 81.1 -1.2 34.6 2 2 A E + 0 0 104 402,-0.1 403,-3.0 2,-0.0 2,-0.3 -0.370 360.0 167.0 -73.7 151.2 80.7 2.2 36.2 3 3 A S E -A 404 0A 43 401,-0.3 2,-0.4 402,-0.2 401,-0.2 -0.980 24.5-148.0-158.0 160.2 78.9 2.5 39.5 4 4 A L E -A 403 0A 59 399,-2.1 399,-3.5 -2,-0.3 2,-0.5 -0.996 10.8-150.0-133.1 136.4 78.4 5.0 42.3 5 5 A T E -A 402 0A 74 -2,-0.4 2,-0.6 397,-0.3 397,-0.2 -0.938 9.6-154.5-110.8 124.6 77.9 4.2 46.0 6 6 A L E -A 401 0A 24 395,-3.0 395,-1.6 -2,-0.5 3,-0.1 -0.880 11.1-140.3 -99.8 128.1 75.8 6.5 48.0 7 7 A Q - 0 0 159 -2,-0.6 392,-0.1 393,-0.2 388,-0.0 -0.463 43.0 -73.0 -80.3 157.4 76.5 6.6 51.7 8 8 A P - 0 0 59 0, 0.0 2,-0.6 0, 0.0 388,-0.2 -0.179 44.2-141.2 -51.3 140.4 73.6 6.8 54.2 9 9 A I - 0 0 13 386,-3.1 417,-0.1 388,-0.3 3,-0.1 -0.939 10.9-166.1-109.9 116.3 71.9 10.2 54.2 10 10 A A S S- 0 0 57 415,-0.8 2,-0.3 -2,-0.6 416,-0.2 0.821 70.2 -10.9 -72.0 -33.6 70.8 11.2 57.8 11 11 A R E -C 425 0B 102 414,-1.4 414,-3.4 2,-0.1 2,-0.4 -0.978 58.4-142.7-162.3 150.7 68.5 14.0 56.7 12 12 A V E +C 424 0B 0 244,-1.6 246,-0.4 -2,-0.3 2,-0.3 -0.967 31.2 148.8-121.4 144.8 67.7 16.0 53.6 13 13 A D + 0 0 62 410,-2.1 2,-0.3 -2,-0.4 247,-0.2 -0.908 26.7 64.3-169.2 140.5 66.9 19.7 53.7 14 14 A G E -d 260 0C 23 245,-2.5 247,-2.7 -2,-0.3 2,-0.4 -0.927 69.3 -60.9 142.6-166.2 67.4 22.6 51.3 15 15 A T E -d 261 0C 79 -2,-0.3 2,-0.5 245,-0.2 247,-0.2 -0.981 29.9-165.0-128.8 136.0 66.4 24.0 48.0 16 16 A I E -d 262 0C 0 245,-2.8 247,-2.8 -2,-0.4 2,-0.9 -0.983 13.8-147.9-120.9 126.6 66.9 22.7 44.5 17 17 A N E -d 263 0C 108 -2,-0.5 247,-0.2 245,-0.2 245,-0.1 -0.850 36.9-125.6 -92.1 111.8 66.5 24.9 41.4 18 18 A L - 0 0 2 245,-2.2 3,-0.1 -2,-0.9 2,-0.1 -0.161 9.0-119.1 -64.8 149.3 65.1 22.4 38.9 19 19 A P - 0 0 27 0, 0.0 223,-2.8 0, 0.0 26,-0.2 -0.416 54.2 -76.5 -76.2 165.9 66.6 21.6 35.5 20 20 A G B -G 241 0D 2 24,-0.3 221,-0.3 221,-0.3 2,-0.3 -0.187 53.7 -91.4 -65.3 155.4 64.2 22.3 32.6 21 21 A S > - 0 0 0 219,-3.0 4,-2.5 22,-0.2 24,-0.4 -0.481 25.4-153.4 -68.1 128.3 61.3 20.0 31.8 22 22 A K H > S+ 0 0 22 -2,-0.3 4,-2.1 2,-0.2 5,-0.3 0.903 95.6 52.7 -69.1 -40.3 62.2 17.4 29.2 23 23 A S H > S+ 0 0 8 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.919 116.0 38.6 -61.2 -45.5 58.6 17.1 28.1 24 24 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.1 5,-0.3 0.910 112.4 59.2 -70.6 -42.1 58.3 20.9 27.5 25 25 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 108.9 40.0 -55.7 -52.3 61.8 21.2 26.1 26 26 A N H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.862 116.6 49.5 -71.9 -31.2 61.5 18.8 23.2 27 27 A R H X S+ 0 0 2 -4,-1.2 4,-2.7 -5,-0.3 5,-0.3 0.936 112.9 48.9 -67.7 -44.1 57.9 20.0 22.3 28 28 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.887 110.7 50.9 -62.5 -38.5 59.1 23.6 22.4 29 29 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.929 112.3 45.0 -66.2 -44.9 62.1 22.8 20.2 30 30 A L H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.947 115.9 46.2 -64.9 -46.4 60.1 21.1 17.5 31 31 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.905 112.0 51.5 -63.6 -39.6 57.4 23.8 17.5 32 32 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 46,-0.2 0.873 109.5 50.6 -64.2 -35.1 60.1 26.5 17.4 33 33 A A H < S+ 0 0 0 -4,-1.9 45,-3.2 44,-0.2 46,-0.3 0.873 114.6 43.0 -70.1 -36.3 61.7 24.8 14.5 34 34 A L H < S+ 0 0 3 -4,-2.1 46,-2.4 43,-0.2 197,-0.3 0.778 102.9 90.5 -77.8 -28.6 58.4 24.6 12.6 35 35 A A S < S- 0 0 0 -4,-2.2 44,-2.4 44,-0.2 2,-0.5 -0.060 79.8-113.4 -69.1 167.0 57.4 28.2 13.5 36 36 A H B S+h 232 0E 74 195,-1.8 197,-2.7 42,-0.2 2,-0.1 -0.878 81.6 27.9 -99.2 130.7 57.9 31.5 11.8 37 37 A G S S- 0 0 44 -2,-0.5 40,-2.0 40,-0.3 2,-0.5 -0.384 96.8 -62.0 109.4 171.4 60.2 33.8 13.7 38 38 A K E -I 76 0F 100 38,-0.2 2,-0.4 -2,-0.1 197,-0.2 -0.853 45.3-161.2 -99.9 125.6 63.0 33.4 16.2 39 39 A T E -I 75 0F 0 36,-2.2 36,-3.2 -2,-0.5 2,-0.6 -0.867 4.6-158.0-106.1 137.8 62.2 31.7 19.5 40 40 A V E -Ij 74 236F 6 195,-2.6 197,-3.0 -2,-0.4 2,-0.5 -0.971 10.6-165.1-116.2 111.7 64.4 32.1 22.5 41 41 A L E -Ij 73 237F 0 32,-3.3 32,-2.6 -2,-0.6 2,-0.3 -0.848 5.5-168.3 -96.5 132.6 63.9 29.3 24.9 42 42 A T E +Ij 72 238F 44 195,-2.4 197,-2.9 -2,-0.5 30,-0.2 -0.898 68.3 25.6-119.6 155.7 65.3 29.8 28.5 43 43 A N S S+ 0 0 42 28,-0.5 29,-0.2 -2,-0.3 -1,-0.2 0.760 83.2 169.5 63.5 26.3 65.7 27.2 31.2 44 44 A L - 0 0 1 27,-2.9 -24,-0.3 -3,-0.3 2,-0.3 -0.412 38.2-109.4 -65.5 142.7 65.9 24.6 28.4 45 45 A L - 0 0 5 -24,-0.4 2,-0.7 -26,-0.2 -1,-0.1 -0.591 20.6-152.7 -76.8 134.5 67.0 21.2 29.7 46 46 A D + 0 0 62 -2,-0.3 2,-0.3 366,-0.1 25,-0.1 -0.944 48.2 119.6-105.0 108.5 70.5 20.0 28.7 47 47 A S S > S- 0 0 3 -2,-0.7 4,-2.8 366,-0.1 364,-0.2 -0.936 78.3 -88.4-156.7 171.8 70.2 16.2 28.7 48 48 A D H > S+ 0 0 41 362,-2.8 4,-2.3 -2,-0.3 5,-0.2 0.920 123.5 52.9 -56.0 -46.2 70.6 13.3 26.2 49 49 A D H > S+ 0 0 2 362,-2.0 4,-1.3 361,-0.2 -1,-0.2 0.894 113.1 42.7 -59.7 -40.2 67.0 13.5 25.1 50 50 A V H > S+ 0 0 0 361,-0.3 4,-2.8 2,-0.2 5,-0.2 0.920 110.6 56.6 -72.0 -40.8 67.2 17.2 24.3 51 51 A R H X S+ 0 0 105 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.868 105.5 52.0 -58.1 -36.8 70.6 16.8 22.7 52 52 A H H X S+ 0 0 19 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.882 110.4 47.7 -67.3 -38.4 69.2 14.2 20.3 53 53 A M H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.926 112.8 48.7 -66.3 -44.8 66.3 16.6 19.3 54 54 A L H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.921 111.3 49.9 -61.0 -43.9 68.8 19.4 18.8 55 55 A N H X S+ 0 0 83 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.858 110.6 51.2 -62.7 -35.0 71.1 17.1 16.7 56 56 A A H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.931 109.6 48.6 -68.1 -44.5 68.0 16.1 14.6 57 57 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 4,-0.5 0.917 111.2 50.8 -63.1 -40.9 67.1 19.8 14.0 58 58 A T H ><5S+ 0 0 76 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.962 110.2 49.2 -58.7 -49.3 70.7 20.5 13.0 59 59 A A H 3<5S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 108.6 54.3 -58.5 -33.7 70.6 17.6 10.6 60 60 A L T 3<5S- 0 0 14 -4,-2.1 23,-0.5 -5,-0.1 -1,-0.3 0.492 124.5-102.7 -79.8 -4.8 67.3 18.8 9.2 61 61 A G T < 5S+ 0 0 57 -3,-1.8 2,-0.3 -4,-0.5 -3,-0.2 0.584 70.3 146.3 96.3 11.1 68.9 22.2 8.5 62 62 A V < - 0 0 10 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.648 38.7-141.7 -83.9 134.9 67.5 24.3 11.4 63 63 A S + 0 0 80 13,-0.5 13,-2.9 -2,-0.3 2,-0.3 -0.795 34.1 144.3 -98.8 139.4 69.8 27.0 12.7 64 64 A Y E -K 75 0F 45 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.976 32.4-140.4-161.6 163.9 70.0 27.8 16.4 65 65 A T E -K 74 0F 87 9,-1.6 9,-2.1 -2,-0.3 2,-0.4 -0.958 12.8-149.2-131.9 152.6 72.6 28.8 19.0 66 66 A L E -K 73 0F 45 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.920 16.9-120.1-123.0 147.3 73.0 27.7 22.6 67 67 A S > - 0 0 42 5,-2.3 3,-1.5 -2,-0.4 -1,-0.0 -0.229 44.8 -90.4 -73.7 173.4 74.3 29.5 25.6 68 68 A A T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.853 130.3 41.7 -56.2 -38.3 77.4 28.2 27.4 69 69 A D T 3 S- 0 0 95 3,-0.0 -1,-0.3 1,-0.0 -23,-0.1 0.408 109.3-124.7 -91.8 5.1 75.3 26.0 29.8 70 70 A R S < S+ 0 0 76 -3,-1.5 -2,-0.1 2,-0.2 3,-0.1 0.686 83.7 109.9 61.6 24.1 73.0 25.0 27.0 71 71 A T + 0 0 40 1,-0.1 -27,-2.9 -25,-0.1 -28,-0.5 0.474 66.4 61.0-104.3 -5.5 69.9 26.2 28.8 72 72 A R E -I 42 0F 104 -30,-0.2 -5,-2.3 -29,-0.2 2,-0.4 -0.991 66.5-179.8-121.4 127.0 69.2 29.2 26.6 73 73 A C E -IK 41 66F 0 -32,-2.6 -32,-3.3 -2,-0.5 2,-0.7 -0.992 18.2-160.0-133.0 127.5 68.5 28.4 22.9 74 74 A E E -IK 40 65F 54 -9,-2.1 -9,-1.6 -2,-0.4 2,-0.5 -0.931 19.7-165.7-106.1 110.8 67.7 30.9 20.1 75 75 A I E -IK 39 64F 0 -36,-3.2 -36,-2.2 -2,-0.7 2,-0.9 -0.856 16.9-143.4-103.6 128.0 66.0 29.0 17.3 76 76 A I E -I 38 0F 89 -13,-2.9 -13,-0.5 -2,-0.5 -38,-0.2 -0.796 32.3-127.2 -87.1 110.8 65.6 30.4 13.8 77 77 A G - 0 0 16 -40,-2.0 -40,-0.3 -2,-0.9 -44,-0.2 -0.264 5.2-143.0 -59.9 142.7 62.2 29.1 12.8 78 78 A N - 0 0 80 -45,-3.2 -42,-0.2 -46,-0.2 -44,-0.2 0.672 31.5-131.7 -78.4 -18.2 61.9 27.2 9.5 79 79 A G S S+ 0 0 26 -44,-2.4 -44,-0.2 -46,-0.3 -43,-0.2 0.932 74.0 4.0 67.1 46.5 58.5 28.7 8.8 80 80 A G S S- 0 0 13 -46,-2.4 -2,-0.2 -47,-0.2 150,-0.1 -0.738 110.9 -12.7 137.3 176.8 56.8 25.5 8.0 81 81 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.028 66.7-118.4 -46.0 140.1 57.4 21.7 7.7 82 82 A L - 0 0 5 23,-0.1 2,-0.4 27,-0.0 26,-0.1 -0.560 34.0-156.7 -82.1 150.3 61.0 20.6 8.0 83 83 A H + 0 0 92 -23,-0.5 2,-0.3 -2,-0.2 28,-0.1 -0.965 24.8 149.8-138.2 149.3 62.5 18.7 5.0 84 84 A A - 0 0 18 -2,-0.4 28,-2.0 26,-0.2 2,-0.2 -0.948 14.6-169.1-164.8 152.0 65.2 16.3 4.1 85 85 A E > + 0 0 151 -2,-0.3 3,-0.6 26,-0.2 69,-0.0 -0.680 56.3 71.8-131.4-171.8 65.8 13.6 1.4 86 86 A G T 3 S- 0 0 68 1,-0.2 3,-0.1 -2,-0.2 27,-0.1 0.715 117.3 -74.6 72.0 21.6 68.2 10.8 0.6 87 87 A A T 3 - 0 0 33 25,-1.1 26,-0.3 1,-0.2 -1,-0.2 0.887 67.6-161.2 56.7 40.2 66.9 8.7 3.5 88 88 A L E < -l 113 0G 54 24,-1.3 26,-3.0 -3,-0.6 2,-0.5 -0.298 12.0-132.0 -51.1 129.8 68.8 11.0 5.9 89 89 A E E -l 114 0G 116 24,-0.2 2,-0.6 -3,-0.1 26,-0.2 -0.800 18.5-165.4 -94.7 127.6 69.1 9.1 9.2 90 90 A L E -l 115 0G 3 24,-2.9 26,-2.3 -2,-0.5 2,-0.6 -0.952 10.3-151.9-108.6 119.8 68.2 10.8 12.4 91 91 A F E +l 116 0G 94 -2,-0.6 26,-0.3 24,-0.2 -36,-0.1 -0.838 15.8 179.3 -95.7 121.3 69.4 9.0 15.5 92 92 A L > - 0 0 0 24,-3.2 3,-2.6 -2,-0.6 7,-0.2 0.154 21.3-147.1-113.0 21.8 67.2 9.7 18.4 93 93 A G T 3 - 0 0 0 1,-0.3 25,-2.3 -41,-0.1 -1,-0.3 -0.289 68.6 -41.5 52.2-123.8 68.7 7.6 21.2 94 94 A N T 3 S+ 0 0 7 23,-0.2 2,-1.1 26,-0.1 -1,-0.3 -0.142 93.1 142.6-126.5 37.4 65.9 6.5 23.4 95 95 A A <> - 0 0 1 -3,-2.6 4,-2.6 1,-0.2 5,-0.2 -0.670 29.1-172.3 -83.6 96.4 64.0 9.8 23.3 96 96 A G H > S+ 0 0 5 -2,-1.1 4,-3.1 2,-0.2 5,-0.3 0.927 80.7 43.8 -56.2 -56.9 60.4 8.9 23.1 97 97 A I H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.925 114.7 51.4 -59.8 -41.6 58.8 12.2 22.5 98 98 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.944 113.5 44.7 -59.9 -47.9 61.4 13.1 19.9 99 99 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 -7,-0.2 -2,-0.2 0.955 119.4 40.1 -61.7 -50.4 60.9 9.8 18.0 100 100 A R H X S+ 0 0 4 -4,-3.1 4,-1.6 -5,-0.2 5,-0.2 0.957 118.0 46.7 -67.6 -47.1 57.1 10.0 18.1 101 101 A S H X S+ 0 0 1 -4,-3.0 4,-2.8 -5,-0.3 -1,-0.2 0.898 115.9 44.4 -61.9 -42.7 56.7 13.7 17.4 102 102 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.4 -1,-0.2 0.843 105.6 62.1 -71.1 -32.4 59.2 13.7 14.6 103 103 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.904 114.6 35.1 -60.0 -38.1 57.7 10.5 13.1 104 104 A A H >< S+ 0 0 0 -4,-1.6 3,-1.9 -5,-0.1 -2,-0.2 0.944 117.4 50.8 -79.0 -50.3 54.5 12.5 12.6 105 105 A A H >< S+ 0 0 4 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.871 105.3 55.8 -56.8 -42.0 55.9 15.9 11.8 106 106 A L T 3< S+ 0 0 1 -4,-2.7 -1,-0.3 1,-0.3 49,-0.2 0.409 90.7 75.5 -75.7 5.1 58.2 14.6 9.1 107 107 A C T < S+ 0 0 0 -3,-1.9 50,-2.8 48,-0.1 2,-0.4 0.455 72.1 107.2 -88.4 -6.2 55.2 13.0 7.3 108 108 A L B < S-o 157 0H 3 -3,-1.5 2,-0.2 47,-0.2 50,-0.1 -0.632 90.2 -22.0 -77.6 128.9 54.2 16.5 6.1 109 109 A G S S- 0 0 47 48,-0.5 47,-2.8 -2,-0.4 2,-0.4 -0.490 113.6 -35.0 75.6-141.9 54.9 17.1 2.5 110 110 A S S S+ 0 0 83 45,-0.2 2,-0.3 -2,-0.2 45,-0.2 -0.945 72.4 146.2-119.0 140.2 57.4 14.9 0.8 111 111 A N - 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0 0 8 -4,-0.3 3,-0.6 1,-0.1 4,-0.5 -0.995 43.0-156.2-144.9 138.3 50.8 5.8 24.7 170 170 A S T 3> S+ 0 0 4 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.630 89.6 81.6 -80.3 -14.2 49.5 9.3 24.8 171 171 A Q H 3> S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.766 83.1 58.5 -64.7 -24.1 52.6 10.2 22.7 172 172 A F H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.944 109.1 43.7 -70.0 -44.0 50.9 9.1 19.5 173 173 A L H > S+ 0 0 1 -4,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.922 112.2 53.5 -65.4 -42.6 48.1 11.5 20.0 174 174 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.945 108.8 50.2 -55.3 -47.4 50.6 14.3 21.0 175 175 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.909 112.7 46.0 -58.0 -44.9 52.5 13.6 17.8 176 176 A L H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.889 109.4 54.9 -66.5 -41.6 49.3 13.9 15.7 177 177 A L H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.915 110.0 45.0 -59.6 -43.4 48.1 17.0 17.5 178 178 A M H < S+ 0 0 2 -4,-2.2 4,-0.2 -5,-0.2 -1,-0.2 0.829 119.3 42.7 -70.9 -29.9 51.3 19.0 16.8 179 179 A T H >< S+ 0 0 2 -4,-1.5 3,-1.7 -5,-0.2 4,-0.4 0.905 98.6 68.7 -81.2 -46.6 51.5 17.8 13.1 180 180 A A G >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.3 48,-0.2 0.777 87.9 64.8 -49.2 -37.8 47.8 18.1 12.0 181 181 A P G 3 S+ 0 0 0 0, 0.0 48,-3.0 0, 0.0 -1,-0.3 0.833 104.0 48.1 -57.6 -31.2 47.6 22.0 12.0 182 182 A L G < S+ 0 0 20 -3,-1.7 -2,-0.2 -4,-0.2 45,-0.1 0.476 88.1 107.0 -87.2 -5.9 50.2 22.2 9.3 183 183 A A S < S- 0 0 0 -3,-1.6 45,-3.0 -4,-0.4 46,-0.3 -0.440 78.4-123.0 -71.3 149.9 48.5 19.6 7.1 184 184 A P S S+ 0 0 76 0, 0.0 2,-0.2 0, 0.0 -25,-0.1 0.826 91.8 48.9 -63.3 -33.4 46.8 21.0 4.0 185 185 A E S S- 0 0 116 -27,-2.5 43,-0.2 1,-0.1 -2,-0.1 -0.685 96.3 -94.3-107.2 162.3 43.4 19.6 4.9 186 186 A D - 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0 0 132 -2,-0.4 12,-0.4 -5,-0.1 2,-0.3 -0.910 6.2-170.9-125.9 154.6 44.3 25.9 19.0 215 215 A I - 0 0 35 -2,-0.3 2,-0.8 10,-0.1 10,-0.2 -0.837 33.5 -96.3-136.4 173.6 42.2 22.9 18.2 216 216 A E E -R 224 0I 101 8,-2.9 8,-3.0 -2,-0.3 2,-0.8 -0.861 34.0-164.4-100.4 111.2 38.8 21.7 19.2 217 217 A N E -R 223 0I 49 -2,-0.8 2,-1.1 6,-0.2 6,-0.2 -0.836 2.2-163.4 -94.8 109.4 39.1 19.1 22.0 218 218 A Q E >> S-R 222 0I 63 4,-3.5 3,-2.2 -2,-0.8 4,-0.9 -0.725 70.6 -54.8 -96.7 87.9 35.8 17.1 22.4 219 219 A H T 34 S- 0 0 158 -2,-1.1 -1,-0.2 1,-0.3 4,-0.1 0.773 94.6 -71.5 49.5 36.4 36.2 15.5 25.8 220 220 A Y T 34 S+ 0 0 60 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.652 125.7 92.7 58.1 18.8 39.5 13.9 24.8 221 221 A Q T <4 S+ 0 0 127 -3,-2.2 -30,-2.5 1,-0.4 2,-0.3 0.586 93.2 17.8-111.7 -18.0 37.7 11.5 22.6 222 222 A Q E < -QR 190 218I 61 -4,-0.9 -4,-3.5 -32,-0.2 2,-0.5 -0.968 62.1-159.7-155.1 137.1 37.9 13.5 19.4 223 223 A F E -QR 189 217I 0 -34,-2.5 -34,-3.0 -2,-0.3 2,-0.7 -0.977 8.2-155.2-123.7 119.0 40.1 16.4 18.3 224 224 A V E -QR 188 216I 34 -8,-3.0 -8,-2.9 -2,-0.5 2,-0.4 -0.846 16.7-174.1 -97.7 118.0 39.0 18.7 15.5 225 225 A V E -Q 187 0I 0 -38,-3.3 -38,-2.4 -2,-0.7 2,-0.4 -0.932 19.2-140.8-116.4 133.2 42.0 20.4 13.8 226 226 A K - 0 0 135 -2,-0.4 3,-0.3 -12,-0.4 -40,-0.1 -0.771 25.2-139.7 -88.1 133.6 41.8 23.0 11.1 227 227 A G S S+ 0 0 17 -2,-0.4 -45,-0.2 1,-0.2 -41,-0.2 -0.167 74.3 52.1 -83.8-177.9 44.6 22.5 8.4 228 228 A G S S+ 0 0 60 -45,-3.0 -46,-0.2 -48,-0.2 -1,-0.2 0.691 77.1 139.6 65.8 20.2 46.7 25.2 6.7 229 229 A Q - 0 0 53 -48,-3.0 2,-0.4 -3,-0.3 -1,-0.2 -0.371 40.9-143.7 -89.6 173.7 47.8 26.8 10.0 230 230 A S - 0 0 55 -18,-0.2 2,-0.2 -2,-0.1 -195,-0.1 -0.999 12.6-127.1-139.5 136.7 51.3 28.1 10.9 231 231 A Y - 0 0 1 -2,-0.4 -195,-1.8 -197,-0.3 2,-0.4 -0.603 26.7-154.4 -80.8 146.5 53.1 28.1 14.2 232 232 A Q B -h 36 0E 92 -21,-2.4 -195,-0.2 -197,-0.3 -197,-0.1 -0.976 22.5-105.3-127.0 134.2 54.4 31.5 15.3 233 233 A S - 0 0 31 -197,-2.7 -195,-0.1 -2,-0.4 3,-0.1 -0.325 19.2-149.9 -57.7 136.5 57.3 32.2 17.6 234 234 A P - 0 0 46 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.358 36.2-127.0 -87.4 2.2 56.2 33.2 21.1 235 235 A G S S+ 0 0 31 -197,-0.2 -195,-2.6 2,-0.1 2,-0.7 -0.768 78.2 7.8 89.7-126.3 59.3 35.4 21.5 236 236 A T E S-j 40 0F 108 -2,-0.5 2,-0.4 -197,-0.2 -195,-0.2 -0.837 78.5-169.9 -94.3 118.8 61.2 34.5 24.7 237 237 A Y E -j 41 0F 29 -197,-3.0 -195,-2.4 -2,-0.7 2,-0.7 -0.923 16.1-139.7-116.0 130.0 59.6 31.5 26.3 238 238 A L E -j 42 0F 113 -2,-0.4 2,-0.4 -197,-0.2 -195,-0.2 -0.785 14.4-143.0 -92.5 115.6 60.4 30.1 29.8 239 239 A V - 0 0 0 -197,-2.9 3,-0.1 -2,-0.7 -214,-0.0 -0.646 25.4-119.9 -76.1 125.0 60.6 26.3 30.0 240 240 A E - 0 0 35 -2,-0.4 -219,-3.0 1,-0.1 25,-0.2 -0.232 31.5 -96.9 -60.9 153.9 59.2 25.1 33.3 241 241 A G B -G 20 0D 0 23,-2.6 2,-0.7 -221,-0.3 -221,-0.3 -0.304 52.2 -89.8 -66.3 159.2 61.4 23.2 35.7 242 242 A D > - 0 0 2 -223,-2.8 4,-1.5 1,-0.2 -1,-0.1 -0.623 34.5-168.8 -80.9 111.8 61.0 19.4 35.4 243 243 A A H > S+ 0 0 3 -2,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.764 88.9 54.4 -68.4 -25.6 58.2 18.2 37.7 244 244 A S H >> S+ 0 0 4 2,-0.2 3,-0.6 1,-0.2 4,-0.6 0.927 109.1 47.5 -73.0 -43.2 59.3 14.5 37.2 245 245 A S H >> S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.823 106.7 59.9 -64.3 -30.6 62.8 15.3 38.2 246 246 A A H >X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 3,-0.6 0.818 87.1 76.5 -67.1 -29.1 61.4 17.2 41.2 247 247 A S H - 0 0 2 -2,-0.3 3,-1.9 26,-0.2 25,-0.2 -0.862 60.5 -54.2-163.0-164.1 54.5 25.7 41.2 267 267 A R T 3 S+ 0 0 137 23,-2.4 24,-0.1 26,-0.3 25,-0.1 0.728 128.1 55.1 -63.0 -21.8 50.7 25.5 41.5 268 268 A N T 3 S+ 0 0 103 23,-0.4 -1,-0.3 22,-0.3 23,-0.1 0.437 78.9 133.3 -91.3 -2.6 50.3 26.9 38.0 269 269 A S < - 0 0 18 -3,-1.9 -4,-0.1 1,-0.1 5,-0.1 -0.143 52.9-146.4 -53.8 142.2 52.5 24.3 36.2 270 270 A M + 0 0 27 -67,-0.0 2,-0.3 3,-0.0 -1,-0.1 0.608 69.9 103.3 -82.5 -15.3 51.1 22.6 33.1 271 271 A Q > - 0 0 6 1,-0.1 3,-1.4 -68,-0.1 4,-0.2 -0.547 66.1-146.5 -75.7 132.3 52.9 19.3 34.0 272 272 A G G > S+ 0 0 10 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.767 90.2 76.3 -66.9 -25.0 50.8 16.5 35.4 273 273 A D G > S+ 0 0 5 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.578 72.1 79.1 -67.8 -5.1 53.6 15.3 37.6 274 274 A I G X S+ 0 0 6 -3,-1.4 3,-1.3 1,-0.3 4,-0.4 0.736 80.7 72.1 -70.3 -14.9 53.1 18.2 40.0 275 275 A R G <> S+ 0 0 100 -3,-2.2 4,-1.0 1,-0.3 3,-0.3 0.580 75.0 81.2 -73.0 -7.0 50.2 15.9 41.2 276 276 A F H X> S+ 0 0 1 -3,-1.7 4,-2.0 1,-0.2 3,-0.6 0.876 84.2 60.9 -62.2 -36.2 53.0 13.7 42.6 277 277 A A H <> S+ 0 0 1 -3,-1.3 4,-2.0 -4,-0.3 -1,-0.2 0.861 98.0 57.1 -60.1 -33.8 53.0 16.1 45.6 278 278 A D H 3> S+ 0 0 54 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.822 104.4 51.8 -67.1 -31.4 49.3 15.2 46.2 279 279 A V H S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 4,-0.7 0.904 110.2 51.7 -59.1 -37.0 53.0 12.4 49.1 281 281 A E H ><5S+ 0 0 93 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.925 107.5 51.3 -65.8 -41.6 50.4 14.4 51.0 282 282 A K H 3<5S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.844 107.4 54.9 -63.5 -31.3 48.1 11.4 51.0 283 283 A M H 3<5S- 0 0 0 -4,-2.0 19,-2.7 -5,-0.1 -1,-0.3 0.609 131.5 -90.9 -77.1 -13.9 50.9 9.4 52.4 284 284 A G T <<5S+ 0 0 23 -3,-1.1 16,-1.6 -4,-0.7 -3,-0.2 0.470 83.2 127.0 120.8 0.6 51.3 11.8 55.3 285 285 A A < - 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0 0 46 0, 0.0 -23,-0.4 0, 0.0 2,-0.3 -0.354 23.7-152.8 -75.6 170.2 74.5 2.5 51.6 401 401 A V E -A 6 0A 0 -395,-1.6 -395,-3.0 -25,-0.2 2,-0.5 -0.990 6.7-141.5-143.5 145.1 73.4 1.5 48.1 402 402 A T E -Ab 5 378A 10 -25,-2.2 -23,-3.5 -2,-0.3 2,-0.5 -0.958 13.8-157.9-111.7 129.3 75.5 1.1 44.9 403 403 A I E -Ab 4 379A 0 -399,-3.5 -399,-2.1 -2,-0.5 2,-0.2 -0.922 11.6-139.8-108.4 118.8 73.9 2.3 41.7 404 404 A L E S+A 3 0A 22 -25,-2.7 -401,-0.3 -2,-0.5 4,-0.2 -0.514 81.2 5.1 -76.5 148.0 75.3 0.8 38.4 405 405 A D S > S- 0 0 46 -403,-3.0 3,-2.4 -2,-0.2 -1,-0.2 0.887 72.4-179.2 47.2 53.6 75.8 3.0 35.4 406 406 A P G > S+ 0 0 9 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.735 71.5 71.4 -55.1 -25.2 74.9 6.2 37.3 407 407 A K G > S+ 0 0 153 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.562 71.8 85.9 -70.7 -6.7 75.4 8.3 34.2 408 408 A C G X S+ 0 0 15 -3,-2.4 3,-1.6 1,-0.3 -23,-0.4 0.743 73.7 75.4 -65.5 -16.9 72.2 6.9 32.7 409 409 A T G X> S+ 0 0 4 -3,-1.5 4,-2.9 1,-0.3 3,-1.5 0.729 72.9 82.9 -65.1 -17.8 70.5 9.7 34.6 410 410 A A G <4 + 0 0 20 -3,-2.0 -362,-2.8 1,-0.3 -1,-0.3 0.618 66.4 84.9 -61.7 -11.7 71.9 12.0 31.9 411 411 A K G <4 S- 0 0 12 -3,-1.6 -362,-2.0 -364,-0.2 -361,-0.3 0.914 123.8 -10.6 -56.1 -41.1 68.9 11.1 29.8 412 412 A T T <4 S+ 0 0 0 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.439 145.1 33.0-134.6 -7.5 66.9 13.8 31.6 413 413 A F >< + 0 0 4 -4,-2.9 3,-1.9 -5,-0.1 4,-0.2 -0.452 51.2 173.9-158.1 74.1 69.1 14.9 34.5 414 414 A P T 3 S+ 0 0 54 0, 0.0 3,-0.3 0, 0.0 -4,-0.2 0.832 86.1 46.9 -51.6 -39.4 72.9 14.9 34.1 415 415 A D T 3> S+ 0 0 103 1,-0.2 4,-2.5 -6,-0.1 3,-0.3 0.217 74.9 121.8 -92.0 17.2 73.4 16.6 37.5 416 416 A Y H <> S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.868 74.4 43.9 -45.4 -54.8 71.1 14.4 39.5 417 417 A F H > S+ 0 0 29 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.859 112.4 51.3 -66.8 -34.2 73.6 13.1 42.1 418 418 A E H > S+ 0 0 92 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.916 112.9 48.6 -66.8 -38.9 75.2 16.4 42.7 419 419 A Q H X S+ 0 0 18 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.903 110.6 48.2 -67.9 -39.3 71.7 17.8 43.3 420 420 A L H X S+ 0 0 1 -4,-2.5 4,-0.7 -5,-0.2 3,-0.5 0.909 110.9 52.9 -66.1 -38.1 70.7 15.1 45.7 421 421 A A H >< S+ 0 0 59 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.864 99.5 64.1 -63.8 -33.5 74.0 15.6 47.5 422 422 A R H 3< S+ 0 0 141 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.866 110.6 35.8 -58.9 -38.8 73.2 19.3 47.8 423 423 A I H 3< S+ 0 0 0 -4,-1.1 -410,-2.1 -3,-0.5 2,-0.4 0.453 94.5 106.4 -95.1 -0.2 70.2 18.6 50.0 424 424 A S E << -C 12 0B 33 -3,-0.7 2,-0.3 -4,-0.7 -412,-0.2 -0.670 51.3-174.1 -81.8 128.0 71.8 15.6 51.8 425 425 A Q E -C 11 0B 75 -414,-3.4 -414,-1.4 -2,-0.4 -415,-0.8 -0.883 32.2-146.3-123.5 154.8 72.8 16.5 55.4 426 426 A A 0 0 97 -2,-0.3 -1,-0.1 -416,-0.2 -414,-0.1 0.732 360.0 360.0 -87.8 -24.4 74.8 14.7 58.1 427 427 A A 0 0 116 -416,-0.1 -415,-0.1 -417,-0.0 -2,-0.0 0.560 360.0 360.0-133.8 360.0 72.6 16.3 60.9