==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 07-DEC-11 3V0C . COMPND 2 MOLECULE: BONT/A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR S.GU,S.RUMPEL,J.ZHOU,J.STROTMEIER,H.BIGALKE,K.PERRY,C.B.SHOE . 1277 2 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 831 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 134 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.7 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 0 0 3 3 1 2 1 0 3 1 1 0 1 0 0 1 0 1 0 1 1 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 3 0 1 3 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 PARALLEL BRIDGES PER LADDER . 15 10 7 5 8 2 1 1 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 . 3 3 0 0 0 3 2 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 2 A P 0 0 4 0, 0.0 2,-4.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 132.1 -11.5 89.8 20.7 2 3 A F - 0 0 108 92,-0.4 93,-0.1 1,-0.1 36,-0.1 -0.206 360.0-142.1 55.7 -62.1 -14.6 91.4 22.0 3 4 A V - 0 0 11 -2,-4.0 35,-0.2 91,-0.1 -1,-0.1 0.867 4.9-143.8 70.2 103.3 -13.4 94.9 21.2 4 5 A N S S+ 0 0 123 33,-0.3 2,-0.5 -3,-0.2 33,-0.1 0.914 73.7 43.9 -67.4 -53.8 -14.4 97.4 23.8 5 6 A K S S- 0 0 91 32,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.857 79.6-124.0-105.2 133.1 -15.3 100.6 22.1 6 7 A Q - 0 0 188 -2,-0.5 2,-0.1 1,-0.1 82,-0.1 -0.567 35.9-150.4 -71.8 118.5 -17.4 100.8 19.0 7 8 A F - 0 0 11 -2,-0.5 2,-0.3 80,-0.1 3,-0.1 -0.389 16.9-164.3 -91.5 166.7 -15.4 102.7 16.4 8 9 A N > - 0 0 68 -2,-0.1 3,-1.0 1,-0.1 77,-0.0 -0.977 29.0-124.4-143.4 141.5 -16.2 104.9 13.5 9 10 A Y T 3 S+ 0 0 16 -2,-0.3 -1,-0.1 1,-0.3 72,-0.1 0.908 109.3 50.7 -57.8 -43.3 -13.8 105.8 10.8 10 11 A K T 3 S+ 0 0 136 -3,-0.1 -1,-0.3 70,-0.1 3,-0.1 0.649 77.9 122.5 -70.3 -17.2 -14.1 109.5 11.3 11 12 A D S < S- 0 0 43 -3,-1.0 3,-0.1 1,-0.1 2,-0.1 -0.204 77.6 -91.4 -47.9 134.3 -13.5 109.3 15.0 12 13 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.247 38.0-108.3 -57.6 128.3 -10.6 111.6 15.7 13 14 A V + 0 0 39 -3,-0.1 6,-0.2 1,-0.1 4,-0.1 -0.238 38.6 179.2 -51.8 138.5 -7.1 110.1 15.8 14 15 A N - 0 0 67 4,-3.8 2,-1.5 2,-0.2 5,-0.2 -0.085 45.1-107.4-144.3 45.7 -5.9 110.0 19.3 15 16 A G S S+ 0 0 0 122,-0.4 2,-0.3 3,-0.2 4,-0.2 0.248 100.3 58.4 54.3 -18.1 -2.4 108.5 19.6 16 17 A V S S- 0 0 72 -2,-1.5 -2,-0.2 2,-0.5 20,-0.1 -0.996 116.3 -7.3-142.5 145.9 -3.9 105.3 21.1 17 18 A D S S+ 0 0 21 -2,-0.3 19,-2.7 18,-0.1 2,-0.2 0.390 136.5 45.3 53.2 -7.2 -6.4 102.8 20.0 18 19 A I E S+A 35 0A 6 17,-0.3 -4,-3.8 -11,-0.0 -2,-0.5 -0.649 85.8 128.8-161.0 96.4 -7.1 105.1 17.0 19 20 A A E -A 34 0A 0 15,-1.9 15,-2.1 -6,-0.2 2,-1.1 -0.833 65.4 -89.5-145.2-179.6 -4.0 106.4 15.4 20 21 A Y E -AB 33 137A 100 117,-0.9 117,-2.2 -2,-0.3 13,-0.3 -0.821 52.2-163.2 -99.4 92.7 -2.1 107.1 12.3 21 22 A I E -AB 32 136A 1 11,-1.6 11,-3.7 -2,-1.1 2,-0.5 -0.417 18.6-154.5 -76.2 149.7 -0.0 103.9 12.1 22 23 A K E - B 0 135A 24 113,-2.3 113,-1.4 9,-0.3 484,-0.3 -0.830 22.5-150.7-126.1 85.9 3.0 103.5 10.0 23 24 A I - 0 0 6 -2,-0.5 2,-1.4 111,-0.2 483,-0.2 -0.086 32.3 -92.5 -51.8 154.2 3.2 99.8 9.4 24 25 A P S S+ 0 0 0 0, 0.0 485,-0.2 0, 0.0 -1,-0.2 -0.581 72.4 143.5 -76.9 99.5 6.6 98.3 8.9 25 26 A N B -h 507 0B 15 -2,-1.4 483,-3.9 481,-0.5 2,-0.4 -0.339 50.8 -81.5-116.8-161.0 6.9 98.5 5.2 26 27 A A S S- 0 0 44 24,-0.4 481,-0.1 481,-0.3 480,-0.1 -0.843 88.4 -10.9-109.1 148.4 9.7 99.2 2.7 27 28 A G S S- 0 0 42 -2,-0.4 -2,-0.2 478,-0.1 481,-0.1 -0.263 116.5 -27.5 61.2-157.4 11.0 102.5 1.7 28 29 A Q - 0 0 139 479,-0.1 2,-0.2 477,-0.0 -2,-0.1 -0.048 60.5-173.1 -76.4-173.1 8.8 105.3 2.9 29 30 A M - 0 0 17 -4,-0.1 3,-0.1 -5,-0.0 -4,-0.1 -0.520 28.2-121.2 176.5 110.8 5.1 105.0 3.5 30 31 A Q - 0 0 153 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.339 50.8 -96.6 -56.5 140.9 2.6 107.7 4.3 31 32 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -9,-0.3 -0.269 40.7-143.8 -60.8 153.6 1.2 106.8 7.6 32 33 A V E -A 21 0A 10 -11,-3.7 -11,-1.6 -3,-0.1 2,-0.6 -0.848 15.0-111.8-117.6 154.1 -2.1 104.9 7.5 33 34 A K E +A 20 0A 16 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.2 -0.789 43.9 162.9 -93.5 121.3 -5.1 105.2 9.8 34 35 A A E -A 19 0A 0 -15,-2.1 -15,-1.9 -2,-0.6 2,-0.3 -0.924 26.3-137.3-134.1 156.9 -5.8 102.1 11.8 35 36 A F E -AC 18 43A 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.7 -0.718 15.8-128.3-110.8 162.5 -7.8 101.3 14.9 36 37 A K E + C 0 42A 25 -19,-2.7 6,-0.2 -2,-0.3 3,-0.1 -0.889 25.5 177.2-111.1 95.6 -6.9 99.2 17.9 37 38 A I E - 0 0 3 4,-1.5 -33,-0.3 -2,-0.7 2,-0.3 0.621 68.9 -15.0 -75.7 -9.7 -9.8 96.9 18.2 38 39 A H E > S- C 0 41A 38 3,-1.0 3,-3.6 -35,-0.2 -1,-0.2 -0.931 98.1 -49.8 177.4 157.9 -8.1 95.2 21.1 39 40 A N T 3 S- 0 0 31 1,-0.3 3,-0.0 -2,-0.3 109,-0.0 -0.152 127.3 -4.8 -42.4 111.3 -4.9 94.7 22.9 40 41 A K T 3 S+ 0 0 2 107,-0.2 110,-1.4 1,-0.1 109,-0.9 0.568 111.0 105.0 77.2 12.8 -2.5 93.8 20.2 41 42 A I E < -Cd 38 150A 0 -3,-3.6 -4,-1.5 108,-0.2 -3,-1.0 -0.877 45.2-179.4-130.0 102.4 -5.0 93.8 17.4 42 43 A W E -Cd 36 151A 1 108,-1.3 110,-1.8 -2,-0.5 2,-0.5 -0.666 13.9-150.6 -99.4 156.5 -5.1 96.6 15.0 43 44 A V E -Cd 35 152A 0 -8,-2.9 -8,-2.4 -2,-0.3 110,-0.2 -0.964 9.1-174.3-130.5 116.2 -7.3 97.2 12.0 44 45 A I E - 0 0 2 108,-2.3 2,-1.8 -2,-0.5 110,-0.5 -0.907 13.4-155.9-108.4 108.2 -6.3 99.1 8.9 45 46 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 108,-0.1 -0.163 58.5 106.3 -80.7 52.5 -9.2 99.6 6.5 46 47 A E E S- 0 0 38 -2,-1.8 108,-3.3 108,-0.1 2,-0.3 -0.790 80.7 -97.2-119.3 164.9 -6.9 100.1 3.5 47 48 A R E - d 0 154A 14 -2,-0.3 2,-1.5 30,-0.2 3,-0.3 -0.659 49.9-102.2 -79.0 137.2 -6.2 97.8 0.7 48 49 A D S S+ 0 0 0 106,-1.9 109,-0.2 -2,-0.3 -1,-0.1 -0.446 76.7 133.0 -65.8 97.3 -2.9 96.0 1.4 49 50 A T + 0 0 51 -2,-1.5 6,-0.3 107,-0.1 -1,-0.2 0.495 65.2 55.0-117.9 -18.3 -0.9 98.1 -0.9 50 51 A F S S+ 0 0 41 -3,-0.3 -24,-0.4 1,-0.1 -2,-0.1 0.911 93.0 62.8 -84.9 -51.1 1.8 98.7 1.6 51 52 A T S S+ 0 0 8 1,-0.1 459,-0.5 -26,-0.1 458,-0.3 0.837 110.4 38.5 -46.6 -42.5 2.9 95.3 2.6 52 53 A N > - 0 0 29 1,-0.2 3,-1.0 3,-0.1 -1,-0.1 -0.951 62.1-160.5-118.9 128.1 4.0 94.5 -0.8 53 54 A P G > S+ 0 0 101 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.914 96.7 54.8 -68.3 -41.7 5.8 96.8 -3.2 54 55 A E G 3 S+ 0 0 178 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.026 103.6 61.8 -79.8 29.2 4.9 94.7 -6.2 55 56 A E G < + 0 0 45 -3,-1.0 -1,-0.2 -6,-0.3 -3,-0.1 0.080 60.7 106.3-143.1 27.1 1.3 94.9 -5.2 56 57 A G < + 0 0 43 -3,-1.0 2,-0.7 -6,-0.1 -2,-0.1 0.640 62.7 88.0 -82.1 -13.6 0.3 98.5 -5.3 57 58 A D - 0 0 99 1,-0.1 100,-0.1 2,-0.1 -1,-0.0 -0.786 54.6-174.7 -90.2 112.8 -1.7 98.0 -8.4 58 59 A L + 0 0 21 -2,-0.7 15,-0.4 99,-0.1 16,-0.2 0.122 48.4 109.9 -93.7 21.6 -5.2 96.9 -7.6 59 60 A N S S- 0 0 83 14,-0.1 99,-0.1 13,-0.1 -2,-0.1 -0.686 75.4-102.3 -97.2 151.5 -6.1 96.3 -11.2 60 61 A P - 0 0 55 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.421 39.1-111.5 -71.6 146.7 -6.8 92.9 -12.6 61 62 A P - 0 0 58 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.529 14.5-124.7 -79.7 139.5 -4.1 91.3 -14.7 62 63 A P S S+ 0 0 140 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.785 104.5 56.5 -53.1 -25.1 -4.6 90.8 -18.4 63 64 A E S S- 0 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.897 94.5-121.0-107.8 138.6 -3.8 87.2 -17.7 64 65 A A - 0 0 24 -2,-0.4 2,-0.3 -4,-0.1 355,-0.1 -0.573 18.9-121.1 -84.7 141.3 -5.8 85.3 -15.1 65 66 A K - 0 0 51 -2,-0.3 2,-2.2 1,-0.1 -1,-0.1 -0.615 34.6-108.3 -78.7 136.4 -4.4 83.8 -12.0 66 67 A Q S S+ 0 0 43 -2,-0.3 -1,-0.1 357,-0.1 3,-0.1 -0.423 76.6 117.5 -70.3 77.9 -5.0 80.1 -11.9 67 68 A V S S- 0 0 49 -2,-2.2 357,-0.1 1,-0.1 188,-0.0 -0.988 70.5-123.8-141.7 143.9 -7.6 80.0 -9.1 68 69 A P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 351,-0.2 0.885 96.0 26.5 -59.8 -36.6 -11.1 78.9 -9.3 69 70 A V + 0 0 6 349,-0.1 2,-0.3 348,-0.1 348,-0.1 -0.938 64.3 151.8-130.3 152.0 -12.3 82.2 -8.0 70 71 A S - 0 0 1 -2,-0.3 348,-1.4 2,-0.0 2,-0.3 -0.963 14.2-168.4-166.7 158.3 -11.1 85.8 -8.1 71 72 A Y - 0 0 21 -2,-0.3 88,-0.7 346,-0.2 89,-0.5 -0.951 1.2-169.3-159.8 137.9 -12.5 89.2 -8.0 72 73 A Y + 0 0 16 -2,-0.3 86,-0.1 344,-0.3 344,-0.1 -0.905 17.3 161.0-129.6 156.5 -11.3 92.6 -8.6 73 74 A D > - 0 0 48 84,-0.4 3,-4.0 -15,-0.4 -14,-0.1 -0.257 21.3-159.9-172.0 71.1 -12.6 96.1 -8.1 74 75 A S T 3 S+ 0 0 57 1,-0.3 -16,-0.1 -16,-0.2 -15,-0.1 0.699 93.2 53.2 -25.0 -40.6 -9.9 98.7 -8.1 75 76 A T T > S+ 0 0 87 -3,-0.1 3,-1.4 2,-0.0 4,-0.4 0.619 76.1 122.3 -79.5 -15.7 -12.3 101.0 -6.3 76 77 A Y T < S+ 0 0 6 -3,-4.0 -3,-0.1 1,-0.3 -29,-0.1 -0.239 82.7 8.7 -54.1 132.3 -13.3 98.8 -3.4 77 78 A L T 3 S+ 0 0 3 -31,-0.1 -1,-0.3 -30,-0.0 -30,-0.2 0.740 94.2 117.1 69.3 27.6 -12.6 100.3 -0.0 78 79 A S < + 0 0 69 -3,-1.4 -2,-0.1 -32,-0.1 5,-0.1 0.929 53.0 74.4 -88.2 -55.2 -11.7 103.7 -1.4 79 80 A T S > S- 0 0 77 -4,-0.4 4,-1.1 1,-0.1 0, 0.0 -0.103 86.7-119.1 -56.7 157.9 -14.4 105.9 0.1 80 81 A D H > S+ 0 0 66 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.683 113.8 57.6 -71.4 -19.9 -14.2 106.8 3.7 81 82 A N H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.896 99.0 56.1 -77.2 -44.1 -17.5 105.1 4.2 82 83 A E H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.838 105.0 54.9 -55.3 -37.4 -16.4 101.8 2.9 83 84 A K H X S+ 0 0 13 -4,-1.1 4,-3.1 2,-0.2 3,-0.4 0.976 107.1 48.7 -60.7 -56.3 -13.7 101.9 5.5 84 85 A D H X S+ 0 0 28 -4,-1.4 4,-3.5 1,-0.3 -2,-0.2 0.894 112.5 48.1 -52.1 -45.3 -16.2 102.4 8.3 85 86 A N H X S+ 0 0 46 -4,-2.5 4,-1.8 1,-0.2 -1,-0.3 0.836 112.4 49.9 -65.6 -31.1 -18.2 99.6 7.0 86 87 A Y H X S+ 0 0 0 -4,-1.9 4,-2.7 -3,-0.4 5,-0.3 0.868 111.8 48.4 -72.6 -37.0 -15.1 97.5 6.8 87 88 A L H X S+ 0 0 2 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.948 110.7 50.4 -67.4 -47.1 -14.4 98.6 10.3 88 89 A K H X S+ 0 0 60 -4,-3.5 4,-1.7 -5,-0.2 -2,-0.2 0.839 116.2 42.7 -59.3 -34.7 -17.8 97.7 11.4 89 90 A G H X S+ 0 0 1 -4,-1.8 4,-1.5 2,-0.2 5,-0.2 0.929 106.3 54.8 -80.3 -49.4 -17.6 94.3 9.8 90 91 A V H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.861 114.2 48.0 -52.1 -33.7 -14.2 93.1 10.7 91 92 A T H >X S+ 0 0 24 -4,-1.5 4,-2.3 -5,-0.3 3,-2.2 0.979 103.7 55.9 -68.6 -60.3 -15.2 93.8 14.2 92 93 A K H 3X S+ 0 0 20 -4,-1.7 4,-0.8 1,-0.3 -1,-0.2 0.686 108.5 51.4 -47.4 -24.1 -18.6 92.1 14.1 93 94 A L H 3X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -1,-0.3 0.720 105.2 53.1 -89.0 -23.8 -16.8 89.0 13.0 94 95 A F H < S+ 0 0 5 -4,-0.8 3,-0.7 -5,-0.3 -2,-0.2 0.970 114.0 41.4 -69.7 -52.1 -18.7 86.4 16.2 97 98 A I H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.3 7,-0.3 0.915 114.4 54.8 -60.3 -41.9 -15.6 84.4 16.6 98 99 A Y H 3< S+ 0 0 61 -4,-3.2 -1,-0.3 1,-0.3 6,-0.2 0.712 94.3 67.7 -65.9 -23.0 -15.3 85.6 20.2 99 100 A S T << S+ 0 0 54 -4,-1.1 2,-0.4 -3,-0.7 -1,-0.3 0.151 90.4 80.0 -85.2 22.0 -18.8 84.5 21.1 100 101 A T S <> S- 0 0 16 -3,-1.2 4,-4.4 1,-0.1 5,-0.3 -0.992 81.1-129.1-131.8 137.8 -17.8 80.9 20.8 101 102 A D H > S+ 0 0 67 -2,-0.4 4,-1.8 1,-0.3 -1,-0.1 0.899 115.8 42.6 -47.2 -49.4 -15.9 78.8 23.2 102 103 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.931 116.1 49.6 -63.4 -45.7 -13.5 77.8 20.5 103 104 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.974 107.5 54.4 -55.2 -57.1 -13.4 81.3 19.3 104 105 A R H X S+ 0 0 66 -4,-4.4 4,-0.7 -7,-0.3 -1,-0.2 0.821 108.6 47.8 -46.5 -44.5 -12.8 82.6 22.8 105 106 A M H >X S+ 0 0 0 -4,-1.8 3,-1.5 -5,-0.3 4,-1.1 0.976 110.2 51.7 -63.6 -55.2 -9.8 80.4 23.3 106 107 A L H >X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.3 3,-0.5 0.824 106.2 52.2 -50.5 -44.8 -8.1 81.2 20.0 107 108 A L H 3X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.708 108.0 54.3 -68.7 -18.2 -8.3 84.9 20.3 108 109 A T H + 0 0 7 -2,-1.5 3,-0.6 8,-0.1 9,-0.3 0.865 14.9 128.2 -82.3 -95.5 14.8 87.8 19.0 119 120 A G T 3 - 0 0 20 1,-0.2 9,-0.1 -3,-0.1 -1,-0.1 0.664 69.1-133.8 44.8 17.3 16.6 90.7 17.5 120 121 A S T 3 + 0 0 94 1,-0.2 2,-1.2 7,-0.1 -1,-0.2 0.459 37.9 172.6 -2.2 70.6 19.6 88.7 18.6 121 122 A T < - 0 0 25 -3,-0.6 4,-0.4 1,-0.3 -1,-0.2 -0.761 69.6 -30.7 -96.9 91.5 21.5 91.4 20.2 122 123 A I S > S- 0 0 114 -2,-1.2 3,-1.9 2,-0.1 -1,-0.3 0.548 83.4 -93.9 68.4 130.3 24.3 89.6 21.8 123 124 A D T 3 S+ 0 0 91 1,-0.3 -2,-0.2 -3,-0.2 175,-0.1 0.901 123.0 45.8 -34.8 -78.8 23.4 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