==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-NOV-00 1G6S . COMPND 2 MOLECULE: EPSP SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.SCHONBRUNN,S.ESCHENBURG,W.SHUTTLEWORTH,J.V.SCHLOSS, . 427 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 76.8 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 . 60 14.1 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 . 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 . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 23.4 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 1 3 2 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 4 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 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 0 183 0, 0.0 2,-0.1 0, 0.0 403,-0.0 0.000 360.0 360.0 360.0 116.3 81.0 -0.9 34.9 2 2 A E + 0 0 106 402,-0.0 403,-2.9 2,-0.0 2,-0.3 -0.410 360.0 175.9 -75.4 153.9 81.0 2.4 36.7 3 3 A S E -A 404 0A 65 401,-0.3 2,-0.4 402,-0.2 401,-0.2 -0.982 20.8-151.9-154.2 160.9 79.3 2.6 40.1 4 4 A L E -A 403 0A 46 399,-2.0 399,-3.2 -2,-0.3 2,-0.5 -0.998 11.1-148.9-135.2 138.9 78.7 5.1 42.9 5 5 A T E -A 402 0A 72 -2,-0.4 2,-0.6 397,-0.2 397,-0.2 -0.930 9.6-151.3-112.1 128.1 78.1 4.2 46.5 6 6 A L E -A 401 0A 26 395,-3.0 395,-1.6 -2,-0.5 3,-0.1 -0.888 10.6-140.8 -99.3 124.8 75.9 6.4 48.6 7 7 A Q - 0 0 128 -2,-0.6 392,-0.1 393,-0.2 388,-0.0 -0.430 42.5 -76.9 -76.0 154.4 76.6 6.7 52.3 8 8 A P - 0 0 56 0, 0.0 2,-0.6 0, 0.0 388,-0.2 -0.251 45.4-141.3 -52.7 138.2 73.7 6.8 54.8 9 9 A I - 0 0 16 386,-2.9 417,-0.1 388,-0.3 3,-0.1 -0.917 9.7-162.9-106.8 115.5 72.1 10.3 54.8 10 10 A A - 0 0 58 -2,-0.6 2,-0.3 415,-0.6 416,-0.2 0.838 69.0 -12.6 -69.2 -32.7 71.0 11.4 58.3 11 11 A R E -C 425 0B 84 414,-1.3 414,-3.1 2,-0.1 2,-0.4 -0.977 58.4-141.3-163.4 150.8 68.7 14.2 57.3 12 12 A V E +Cd 424 257B 0 244,-1.7 246,-0.5 -2,-0.3 2,-0.3 -0.979 30.8 147.9-122.5 147.6 67.8 16.2 54.2 13 13 A D E + 0 0 57 410,-1.9 2,-0.3 -2,-0.4 247,-0.2 -0.904 26.9 66.7-170.8 139.7 67.0 19.9 54.2 14 14 A G E - d 0 260B 22 245,-2.4 247,-2.7 -2,-0.3 2,-0.4 -0.929 67.9 -63.2 145.3-164.1 67.5 22.7 51.7 15 15 A T E - d 0 261B 73 -2,-0.3 2,-0.4 245,-0.2 247,-0.2 -0.982 29.8-165.7-131.1 133.1 66.6 24.2 48.4 16 16 A I E - d 0 262B 0 245,-2.5 247,-2.7 -2,-0.4 2,-0.8 -0.988 14.5-146.9-118.8 129.2 67.1 22.8 44.9 17 17 A N E - d 0 263B 108 -2,-0.4 247,-0.1 245,-0.2 245,-0.1 -0.857 37.5-125.5 -93.3 113.1 66.7 25.0 41.8 18 18 A L - 0 0 8 245,-2.1 3,-0.1 -2,-0.8 2,-0.1 -0.175 8.6-117.5 -66.6 149.7 65.4 22.4 39.3 19 19 A P - 0 0 28 0, 0.0 223,-2.8 0, 0.0 26,-0.2 -0.420 53.9 -79.0 -73.0 164.4 66.8 21.6 35.9 20 20 A G B -G 241 0C 2 24,-0.3 2,-0.3 221,-0.3 221,-0.3 -0.170 51.8 -91.3 -66.2 157.1 64.4 22.3 33.1 21 21 A S > - 0 0 0 219,-3.0 4,-2.5 22,-0.2 24,-0.4 -0.493 24.8-152.9 -69.0 128.3 61.5 20.1 32.1 22 22 A K H > S+ 0 0 14 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.916 95.8 51.5 -64.4 -45.5 62.4 17.5 29.5 23 23 A S H > S+ 0 0 9 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.906 115.9 39.8 -59.4 -47.3 58.8 17.3 28.3 24 24 A V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.921 113.2 56.5 -68.6 -43.1 58.5 21.1 27.8 25 25 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.923 109.1 43.2 -56.8 -49.8 62.0 21.4 26.4 26 26 A N H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.864 115.4 48.2 -72.0 -31.0 61.6 19.0 23.6 27 27 A R H X S+ 0 0 11 -4,-1.4 4,-2.7 -5,-0.3 5,-0.3 0.936 112.4 50.3 -67.6 -44.2 58.2 20.3 22.6 28 28 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.891 110.1 50.3 -62.8 -37.3 59.4 23.9 22.7 29 29 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.934 112.6 44.7 -67.9 -44.5 62.5 23.1 20.5 30 30 A L H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.944 116.1 46.1 -65.4 -43.5 60.5 21.4 17.8 31 31 A L H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.898 112.0 52.2 -66.8 -38.7 57.8 24.1 17.7 32 32 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 46,-0.2 0.891 109.6 49.8 -62.0 -37.4 60.4 26.8 17.7 33 33 A A H < S+ 0 0 0 -4,-2.1 45,-3.1 1,-0.2 47,-0.3 0.885 114.7 43.5 -68.7 -36.3 62.1 25.1 14.7 34 34 A L H < S+ 0 0 5 -4,-2.0 46,-1.7 43,-0.2 197,-0.3 0.778 103.0 90.1 -77.8 -25.2 58.8 24.8 12.8 35 35 A A S < S- 0 0 0 -4,-2.2 44,-2.5 44,-0.2 2,-0.5 -0.059 80.0-111.7 -73.0 166.7 57.7 28.4 13.7 36 36 A H B S+h 232 0D 76 195,-2.0 197,-2.8 42,-0.2 42,-0.1 -0.836 80.7 21.7 -94.1 134.9 58.3 31.7 12.0 37 37 A G S S- 0 0 43 -2,-0.5 40,-2.2 40,-0.3 2,-0.5 -0.314 96.6 -55.3 101.6 175.8 60.6 34.0 13.9 38 38 A K E -I 76 0E 96 38,-0.2 2,-0.4 195,-0.1 197,-0.2 -0.828 45.7-163.1 -99.7 125.5 63.3 33.8 16.5 39 39 A T E -I 75 0E 0 36,-2.2 36,-3.0 -2,-0.5 2,-0.6 -0.897 5.8-157.7-106.4 137.1 62.5 32.0 19.8 40 40 A V E -Ij 74 236E 7 195,-2.6 197,-2.9 -2,-0.4 2,-0.4 -0.960 11.6-166.3-114.4 115.0 64.7 32.4 22.9 41 41 A L E -Ij 73 237E 0 32,-3.0 32,-2.5 -2,-0.6 2,-0.3 -0.880 4.6-169.9-100.0 132.1 64.2 29.5 25.3 42 42 A T E + j 0 238E 45 195,-2.3 197,-3.0 -2,-0.4 30,-0.2 -0.886 67.7 26.6-121.5 156.5 65.5 29.9 28.9 43 43 A N S S+ 0 0 52 28,-0.5 29,-0.2 -2,-0.3 -22,-0.2 0.742 81.3 168.8 62.9 25.7 65.9 27.3 31.6 44 44 A L - 0 0 1 27,-2.7 -24,-0.3 -3,-0.2 2,-0.3 -0.369 38.8-109.5 -63.0 142.8 66.1 24.7 28.8 45 45 A L - 0 0 5 -24,-0.4 2,-0.8 -26,-0.2 -1,-0.1 -0.618 19.6-151.0 -77.4 134.7 67.2 21.3 30.1 46 46 A D + 0 0 61 -2,-0.3 2,-0.3 23,-0.1 25,-0.1 -0.928 50.8 118.0-101.4 104.7 70.7 20.0 29.2 47 47 A S S > S- 0 0 2 -2,-0.8 4,-2.9 366,-0.1 3,-0.3 -0.955 78.5 -89.8-156.3 171.4 70.3 16.3 29.1 48 48 A D H > S+ 0 0 45 362,-2.9 4,-2.6 -2,-0.3 5,-0.2 0.914 121.7 53.2 -58.7 -44.5 70.7 13.4 26.6 49 49 A D H > S+ 0 0 1 362,-1.9 4,-1.1 361,-0.3 -1,-0.2 0.870 114.3 42.2 -61.6 -34.6 67.0 13.6 25.5 50 50 A V H > S+ 0 0 0 -3,-0.3 4,-2.9 361,-0.3 -1,-0.2 0.895 110.8 56.2 -77.8 -39.5 67.3 17.3 24.7 51 51 A R H X S+ 0 0 88 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.895 105.4 52.5 -59.0 -38.7 70.8 16.9 23.1 52 52 A H H X S+ 0 0 13 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.902 110.1 47.4 -66.4 -37.1 69.4 14.4 20.7 53 53 A M H X S+ 0 0 0 -4,-1.1 4,-2.5 -5,-0.2 -2,-0.2 0.943 112.6 50.1 -65.8 -44.9 66.6 16.8 19.7 54 54 A L H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.925 111.6 48.4 -58.7 -42.9 69.2 19.6 19.3 55 55 A N H X S+ 0 0 79 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.862 109.9 51.8 -67.2 -34.5 71.4 17.4 17.1 56 56 A A H X S+ 0 0 4 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.928 109.4 49.1 -67.3 -43.4 68.5 16.4 15.0 57 57 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.4 0.921 110.4 51.8 -60.9 -43.6 67.5 20.0 14.4 58 58 A T H ><5S+ 0 0 76 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.946 110.1 48.7 -56.3 -49.0 71.2 20.8 13.5 59 59 A A H 3<5S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.820 107.7 55.1 -61.2 -29.9 71.1 17.9 11.0 60 60 A L T 3<5S- 0 0 16 -4,-1.9 23,-0.5 -5,-0.1 -1,-0.3 0.469 124.2-103.4 -82.9 -2.9 67.8 19.1 9.5 61 61 A G T < 5 + 0 0 62 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.572 68.3 150.2 94.6 11.5 69.5 22.5 8.9 62 62 A V < - 0 0 13 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.588 38.2-138.7 -79.1 136.7 67.9 24.5 11.7 63 63 A S E +K 76 0E 74 13,-0.5 13,-2.8 -2,-0.3 2,-0.3 -0.815 37.3 141.7 -96.7 133.1 70.2 27.4 13.0 64 64 A Y E -K 75 0E 43 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.981 34.5-138.9-159.2 163.1 70.4 28.1 16.7 65 65 A T E -K 74 0E 85 9,-1.9 9,-2.3 -2,-0.3 2,-0.4 -0.946 12.4-152.2-126.8 152.0 72.9 29.1 19.4 66 66 A L E -K 73 0E 48 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.956 18.3-120.7-122.9 144.5 73.3 27.8 23.0 67 67 A S > - 0 0 42 5,-2.3 3,-1.9 -2,-0.4 5,-0.0 -0.212 43.1 -90.7 -72.8 170.3 74.6 29.6 26.0 68 68 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.849 129.9 42.2 -52.4 -40.4 77.7 28.2 27.9 69 69 A D T 3 S- 0 0 97 1,-0.0 -1,-0.3 3,-0.0 -23,-0.1 0.390 109.2-123.9 -92.3 7.4 75.6 26.1 30.2 70 70 A R S < S+ 0 0 75 -3,-1.9 -2,-0.1 2,-0.2 3,-0.0 0.644 84.8 107.5 61.9 19.9 73.3 25.0 27.4 71 71 A T + 0 0 41 1,-0.1 -27,-2.7 -25,-0.1 -28,-0.5 0.455 67.0 62.3-103.6 -6.3 70.1 26.3 29.2 72 72 A R - 0 0 113 -30,-0.2 -5,-2.3 -29,-0.2 2,-0.4 -0.990 65.5-179.3-119.9 127.0 69.5 29.3 26.9 73 73 A C E -IK 41 66E 0 -32,-2.5 -32,-3.0 -2,-0.5 2,-0.7 -0.988 16.9-161.8-130.1 127.2 68.8 28.6 23.3 74 74 A E E -IK 40 65E 54 -9,-2.3 -9,-1.9 -2,-0.4 2,-0.4 -0.929 20.1-167.8-110.3 110.8 68.1 31.1 20.5 75 75 A I E -IK 39 64E 0 -36,-3.0 -36,-2.2 -2,-0.7 2,-0.8 -0.858 18.8-145.6-105.7 130.2 66.4 29.3 17.7 76 76 A I E -IK 38 63E 84 -13,-2.8 -13,-0.5 -2,-0.4 -38,-0.2 -0.814 32.8-128.6 -90.6 111.1 65.9 30.8 14.1 77 77 A G - 0 0 15 -40,-2.2 -40,-0.3 -2,-0.8 -44,-0.2 -0.268 2.9-139.3 -64.7 147.4 62.6 29.3 13.1 78 78 A N - 0 0 83 -45,-3.1 -42,-0.2 -46,-0.2 -44,-0.2 0.636 31.1-130.4 -77.6 -18.0 62.3 27.5 9.8 79 79 A G S S+ 0 0 28 -44,-2.5 -44,-0.2 -46,-0.3 -43,-0.2 0.898 76.1 4.5 68.8 36.8 58.9 29.0 9.0 80 80 A G S S- 0 0 14 -46,-1.7 -2,-0.2 -47,-0.3 -1,-0.1 -0.844 109.2 -14.0 144.7 179.2 57.4 25.7 8.1 81 81 A P - 0 0 35 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.096 65.6-116.8 -48.9 143.8 57.9 22.0 8.0 82 82 A L - 0 0 6 23,-0.1 2,-0.4 27,-0.0 26,-0.1 -0.559 34.5-160.4 -83.1 147.1 61.5 20.7 8.3 83 83 A H + 0 0 82 -23,-0.5 2,-0.3 -2,-0.2 28,-0.1 -0.976 24.0 150.4-139.2 148.4 63.1 18.9 5.4 84 84 A A - 0 0 11 -2,-0.4 28,-2.0 26,-0.2 2,-0.2 -0.950 16.5-165.0-161.6 155.5 65.9 16.5 4.4 85 85 A E > + 0 0 139 -2,-0.3 3,-0.7 26,-0.2 69,-0.0 -0.653 57.9 70.1-130.7-172.5 66.4 13.9 1.7 86 86 A G T 3 S- 0 0 67 1,-0.2 3,-0.1 -2,-0.2 27,-0.1 0.709 117.4 -74.5 70.4 24.5 68.8 11.0 1.0 87 87 A A T 3 - 0 0 33 25,-1.0 26,-0.3 1,-0.2 -1,-0.2 0.891 68.1-160.9 53.5 41.2 67.5 8.9 3.8 88 88 A L E < -l 113 0F 55 24,-1.3 26,-3.2 -3,-0.7 2,-0.5 -0.330 11.8-131.2 -52.3 129.6 69.4 11.2 6.3 89 89 A E E -l 114 0F 123 24,-0.2 2,-0.6 -3,-0.1 26,-0.2 -0.778 19.6-166.6 -94.4 125.6 69.7 9.3 9.5 90 90 A L E -l 115 0F 3 24,-3.0 26,-2.6 -2,-0.5 2,-0.6 -0.958 10.8-151.1-109.2 121.5 68.7 11.0 12.8 91 91 A F E -l 116 0F 97 -2,-0.6 26,-0.2 24,-0.2 -36,-0.1 -0.831 15.6-179.8 -96.2 121.4 69.9 9.2 15.9 92 92 A L > - 0 0 0 24,-2.7 3,-2.5 -2,-0.6 7,-0.3 0.113 22.1-144.6-114.1 21.2 67.6 9.9 18.7 93 93 A G T 3 - 0 0 0 1,-0.3 25,-2.4 -41,-0.1 -1,-0.3 -0.299 66.7 -44.9 56.2-125.4 69.1 7.9 21.6 94 94 A N T 3 S+ 0 0 6 23,-0.2 2,-1.0 26,-0.1 -1,-0.3 -0.138 95.4 138.3-127.9 37.3 66.2 6.6 23.7 95 95 A A X> - 0 0 0 -3,-2.5 4,-3.0 1,-0.2 3,-1.5 -0.705 29.4-178.6 -88.7 99.6 64.3 9.8 23.7 96 96 A G H 3> S+ 0 0 3 -2,-1.0 4,-2.7 1,-0.3 -1,-0.2 0.867 83.4 62.4 -62.9 -33.9 60.6 9.2 23.1 97 97 A T H 34 S+ 0 0 8 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.540 113.7 35.0 -72.5 -5.6 59.9 13.0 23.2 98 98 A A H <> S+ 0 0 0 -3,-1.5 4,-2.5 -6,-0.2 5,-0.4 0.707 119.6 48.5-104.2 -49.7 62.1 13.3 20.1 99 99 A M H X S+ 0 0 0 -4,-3.0 4,-2.0 -7,-0.3 -2,-0.2 0.927 114.7 41.4 -57.4 -51.1 61.3 10.0 18.3 100 100 A R H X S+ 0 0 4 -4,-2.7 4,-1.5 -5,-0.2 5,-0.2 0.982 118.9 43.3 -68.3 -49.6 57.5 10.2 18.5 101 101 A P H > S+ 0 0 7 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.920 117.1 46.4 -62.4 -40.8 57.1 13.9 17.7 102 102 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.869 104.4 62.1 -69.7 -32.6 59.7 13.9 14.9 103 103 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.4 -3,-0.1 0.899 115.0 34.1 -59.2 -39.0 58.1 10.7 13.4 104 104 A A H >< S+ 0 0 0 -4,-1.5 3,-2.0 -3,-0.2 -2,-0.2 0.930 116.9 51.7 -78.5 -48.2 54.9 12.7 12.8 105 105 A A H >< S+ 0 0 5 -4,-2.9 3,-1.7 1,-0.3 -3,-0.2 0.883 104.6 56.0 -60.8 -38.9 56.3 16.1 12.0 106 106 A L T 3< S+ 0 0 2 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.441 89.3 77.1 -76.2 2.0 58.7 14.9 9.4 107 107 A C T < S+ 0 0 0 -3,-2.0 50,-2.7 -5,-0.1 2,-0.4 0.471 71.5 108.2 -83.2 -4.8 55.7 13.3 7.5 108 108 A L S < S- 0 0 3 -3,-1.7 2,-0.1 47,-0.2 50,-0.1 -0.611 88.8 -23.2 -78.4 129.7 54.7 16.8 6.3 109 109 A G S S- 0 0 44 48,-0.5 47,-2.6 -2,-0.4 2,-0.3 -0.445 113.7 -30.5 73.2-150.0 55.4 17.4 2.6 110 110 A S E S+ M 0 155F 99 45,-0.2 2,-0.3 -2,-0.1 45,-0.2 -0.711 73.2 145.0-100.3 156.1 58.0 15.3 0.9 111 111 A N E - 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0 0 43 0, 0.0 -23,-0.3 0, 0.0 2,-0.3 -0.312 23.4-152.0 -72.1 170.2 74.6 2.5 52.2 401 401 A V E -A 6 0A 0 -395,-1.6 -395,-3.0 -25,-0.2 2,-0.5 -0.988 6.5-141.6-142.4 145.0 73.6 1.5 48.6 402 402 A T E -Ab 5 378A 11 -25,-2.2 -23,-3.5 -2,-0.3 2,-0.5 -0.950 14.5-159.0-110.8 128.3 75.7 1.1 45.5 403 403 A I E -Ab 4 379A 0 -399,-3.2 -399,-2.0 -2,-0.5 2,-0.2 -0.937 11.6-140.0-109.1 119.6 74.1 2.3 42.2 404 404 A L E S+A 3 0A 24 -25,-2.6 -401,-0.3 -2,-0.5 4,-0.1 -0.515 79.5 5.0 -77.6 149.8 75.5 0.8 39.0 405 405 A D S > S+ 0 0 44 -403,-2.9 3,-2.3 -2,-0.2 -1,-0.2 0.905 71.7 179.7 45.7 54.4 76.0 3.1 35.9 406 406 A P G > S+ 0 0 9 0, 0.0 3,-1.7 0, 0.0 11,-0.1 0.747 70.3 72.9 -57.3 -24.2 75.1 6.3 37.8 407 407 A K G > S+ 0 0 137 1,-0.3 3,-2.2 2,-0.2 4,-0.1 0.618 71.8 86.4 -69.0 -6.9 75.7 8.4 34.7 408 408 A C G X S+ 0 0 15 -3,-2.3 3,-1.6 1,-0.3 -23,-0.5 0.726 70.9 77.3 -63.2 -16.6 72.5 6.9 33.2 409 409 A T G X> S+ 0 0 3 -3,-1.7 4,-3.0 1,-0.3 3,-1.6 0.731 72.1 83.9 -63.8 -17.1 70.8 9.8 35.1 410 410 A A G <4 + 0 0 19 -3,-2.2 -362,-2.9 1,-0.3 -361,-0.3 0.630 65.1 84.0 -62.6 -12.6 72.0 12.1 32.2 411 411 A K G <4 S- 0 0 13 -3,-1.6 -362,-1.9 -364,-0.2 -361,-0.3 0.915 125.3 -11.3 -55.6 -39.9 69.0 11.1 30.2 412 412 A T T <4 S+ 0 0 0 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.462 144.3 31.4-132.8 -8.5 67.1 13.8 32.1 413 413 A F >< + 0 0 4 -4,-3.0 3,-1.9 -5,-0.1 -2,-0.2 -0.481 50.6 173.6-160.3 74.9 69.3 15.0 35.0 414 414 A P T 3 S+ 0 0 55 0, 0.0 3,-0.3 0, 0.0 -4,-0.2 0.835 85.3 48.3 -55.3 -36.4 73.1 14.9 34.6 415 415 A D T 3> S+ 0 0 107 1,-0.2 4,-2.2 -6,-0.1 3,-0.3 0.214 74.6 121.5 -94.1 21.1 73.7 16.6 37.9 416 416 A Y H <> S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.872 72.7 45.6 -50.8 -52.9 71.3 14.4 40.0 417 417 A F H > S+ 0 0 29 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.865 111.7 50.7 -66.9 -34.0 73.8 13.1 42.5 418 418 A E H > S+ 0 0 93 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.905 112.1 49.2 -67.1 -36.3 75.5 16.4 43.2 419 419 A Q H X S+ 0 0 19 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.909 110.4 49.3 -69.3 -40.3 72.0 17.9 43.8 420 420 A L H >X S+ 0 0 2 -4,-2.5 4,-0.7 -5,-0.2 3,-0.6 0.917 111.0 51.6 -62.5 -41.6 71.0 15.1 46.2 421 421 A A H >< S+ 0 0 60 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.890 99.6 64.7 -62.9 -34.1 74.3 15.7 48.0 422 422 A R H 3< S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.842 110.4 35.6 -57.6 -36.5 73.5 19.4 48.3 423 423 A I H << S+ 0 0 0 -4,-1.0 -410,-1.9 -3,-0.6 2,-0.4 0.444 94.1 107.2 -97.1 -1.3 70.5 18.7 50.5 424 424 A S E << -C 12 0B 31 -3,-1.0 2,-0.4 -4,-0.7 -412,-0.2 -0.670 51.2-171.7 -80.9 127.6 72.1 15.7 52.4 425 425 A Q E -C 11 0B 63 -414,-3.1 -414,-1.3 -2,-0.4 -415,-0.6 -0.922 26.5-151.8-123.2 147.2 73.1 16.7 55.9 426 426 A A 0 0 98 -2,-0.4 -1,-0.1 -416,-0.2 -414,-0.1 0.736 360.0 360.0 -89.4 -20.4 75.1 14.8 58.4 427 427 A A 0 0 107 -416,-0.1 -1,-0.1 -417,-0.0 -2,-0.0 0.567 360.0 360.0-129.6 360.0 73.4 16.3 61.5