==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-JUL-09 3I4T . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 252 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 9.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 4 0 0 1 1 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 . 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 G 0 0 114 0, 0.0 69,-0.1 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0-171.5 4.1 14.8 34.5 2 0 A S + 0 0 30 67,-0.2 2,-0.3 70,-0.1 98,-0.2 -0.194 360.0 168.7 -73.5 162.5 3.8 18.0 32.4 3 1 A M E -a 72 0A 30 68,-0.6 70,-2.6 96,-0.1 2,-0.6 -0.949 31.9-135.2-171.9 135.5 6.2 19.0 29.6 4 2 A L E -ab 73 101A 0 96,-2.4 98,-3.0 -2,-0.3 2,-0.6 -0.952 23.7-158.6-102.9 121.7 6.6 21.4 26.7 5 3 A Y E -ab 74 102A 49 68,-3.4 70,-3.6 -2,-0.6 2,-0.6 -0.879 4.8-164.5 -98.8 120.5 7.9 19.8 23.6 6 4 A I E -ab 75 103A 0 96,-2.7 98,-2.9 -2,-0.6 2,-0.5 -0.943 17.9-169.7-105.9 116.8 9.5 22.0 21.0 7 5 A I E -ab 76 104A 0 68,-2.9 70,-2.5 -2,-0.6 2,-0.4 -0.925 20.1-139.9-121.2 123.0 9.7 20.0 17.8 8 6 A G E -a 77 0A 0 96,-2.5 10,-0.5 -2,-0.5 70,-0.2 -0.649 11.0-164.9 -77.9 127.8 11.6 20.8 14.6 9 7 A L - 0 0 5 68,-2.8 3,-0.2 -2,-0.4 2,-0.2 0.579 34.0-122.3 -89.6 -10.2 9.5 19.8 11.5 10 8 A G B -E 79 0B 1 69,-1.5 69,-3.0 97,-0.3 -1,-0.3 -0.588 33.9 -76.3 88.8-162.5 12.3 19.9 8.9 11 9 A L S S+ 0 0 27 -2,-0.2 -1,-0.1 67,-0.2 196,-0.1 0.557 106.3 33.5-118.8 -11.4 12.2 22.1 5.8 12 10 A Y S S- 0 0 60 1,-0.4 29,-3.3 -3,-0.2 2,-0.2 0.809 104.7 -25.3-116.5 -71.2 9.8 20.7 3.2 13 11 A D S > S- 0 0 19 27,-0.2 3,-2.1 -4,-0.1 -1,-0.4 -0.762 73.5 -71.4-141.6-173.5 6.6 18.9 4.1 14 12 A E G > S+ 0 0 42 1,-0.3 3,-0.8 -2,-0.2 28,-0.1 0.660 120.5 66.6 -58.3 -20.7 4.9 16.8 6.8 15 13 A K G 3 S+ 0 0 144 1,-0.2 -1,-0.3 -5,-0.0 -5,-0.1 0.481 84.6 73.8 -82.5 -1.1 7.2 13.8 6.0 16 14 A D G < + 0 0 55 -3,-2.1 91,-0.3 -7,-0.2 -1,-0.2 0.530 69.8 104.7 -93.1 -8.5 10.2 15.7 7.3 17 15 A I S < S- 0 0 18 -3,-0.8 -8,-0.1 -4,-0.2 2,-0.1 -0.391 77.4-112.8 -59.4 146.1 9.3 15.3 11.0 18 16 A T > - 0 0 46 -10,-0.5 4,-2.8 87,-0.1 5,-0.2 -0.481 19.7-114.4 -78.4 159.3 11.3 12.7 12.9 19 17 A V H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.924 121.8 50.1 -54.9 -49.5 9.8 9.5 14.2 20 18 A R H > S+ 0 0 178 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 110.5 50.2 -51.8 -51.3 10.5 10.7 17.8 21 19 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.889 109.7 49.9 -56.7 -44.6 8.8 14.1 16.8 22 20 A L H X S+ 0 0 38 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.861 110.2 52.2 -62.1 -36.2 5.8 12.3 15.5 23 21 A E H X S+ 0 0 130 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.889 109.6 47.2 -68.3 -40.3 5.6 10.2 18.7 24 22 A A H X S+ 0 0 8 -4,-2.2 4,-1.7 2,-0.2 3,-0.3 0.929 109.7 53.7 -67.4 -45.1 5.7 13.3 20.9 25 23 A V H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.948 111.3 46.6 -48.2 -51.2 3.0 15.0 18.8 26 24 A K H 3< S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.748 112.2 49.4 -68.8 -26.6 0.8 11.9 19.3 27 25 A S H 3< S+ 0 0 65 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.675 94.9 95.2 -84.0 -18.9 1.5 11.7 23.1 28 26 A C << - 0 0 0 -4,-1.7 45,-0.2 -3,-0.7 3,-0.1 -0.396 66.1-146.8 -79.7 150.6 0.7 15.4 23.6 29 27 A D S S+ 0 0 91 43,-2.3 2,-0.4 1,-0.2 44,-0.2 0.795 88.2 28.5 -82.3 -30.8 -2.7 16.8 24.7 30 28 A L E -c 73 0A 48 42,-1.3 44,-2.6 34,-0.1 2,-0.5 -0.995 66.7-162.8-135.5 139.1 -2.3 20.0 22.7 31 29 A V E -c 74 0A 1 23,-0.4 25,-3.2 -2,-0.4 2,-0.4 -0.966 8.8-170.3-127.8 117.5 -0.3 20.7 19.5 32 30 A F E -cd 75 56A 9 42,-3.6 44,-3.2 -2,-0.5 2,-0.5 -0.834 9.1-152.5-108.4 143.6 0.6 24.2 18.4 33 31 A L E -cd 76 57A 6 23,-3.1 25,-1.7 -2,-0.4 2,-0.3 -0.969 21.4-125.9-109.6 127.8 2.1 25.3 15.1 34 32 A E > - 0 0 32 42,-2.5 3,-2.9 -2,-0.5 4,-0.1 -0.556 28.8-123.5 -57.1 128.7 4.2 28.4 14.9 35 33 A H G > S+ 0 0 66 1,-0.3 3,-2.6 -2,-0.3 4,-0.2 0.809 108.9 75.1 -52.1 -32.1 2.4 30.4 12.1 36 34 A Y G > S+ 0 0 67 1,-0.3 3,-1.2 2,-0.1 -1,-0.3 0.647 79.1 77.4 -52.4 -17.2 5.8 30.4 10.3 37 35 A T G X + 0 0 12 -3,-2.9 3,-1.8 1,-0.2 -1,-0.3 0.590 66.8 85.2 -73.6 -14.3 4.9 26.8 9.5 38 36 A A G < S+ 0 0 90 -3,-2.6 -1,-0.2 1,-0.3 4,-0.2 0.730 77.8 70.5 -57.9 -22.2 2.4 27.8 6.8 39 37 A I G < S+ 0 0 43 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.731 76.1 104.0 -68.4 -23.8 5.5 27.9 4.5 40 38 A L S < S- 0 0 14 -3,-1.8 2,-1.6 1,-0.1 -27,-0.2 -0.263 85.1-114.7 -58.7 147.0 5.7 24.1 4.6 41 39 A Q S S+ 0 0 80 -29,-3.3 2,-0.3 -30,-0.1 -27,-0.2 -0.398 86.7 80.1 -91.0 60.2 4.5 22.3 1.5 42 40 A C S S- 0 0 26 -2,-1.6 2,-0.4 -4,-0.2 3,-0.0 -0.951 75.6-117.6-148.0 161.0 1.5 20.6 3.1 43 41 A D > - 0 0 117 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.857 24.0-119.3-110.5 150.1 -2.0 21.7 4.0 44 42 A V H > S+ 0 0 58 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.826 108.9 51.8 -55.3 -46.1 -3.3 21.7 7.6 45 43 A A H > S+ 0 0 74 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 112.9 45.8 -58.7 -44.7 -6.2 19.3 7.2 46 44 A K H > S+ 0 0 146 -3,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.867 112.0 53.0 -64.5 -40.2 -3.9 16.6 5.6 47 45 A L H X S+ 0 0 8 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.878 105.3 55.1 -58.9 -42.4 -1.4 17.3 8.3 48 46 A E H X>S+ 0 0 28 -4,-2.3 5,-1.7 1,-0.2 4,-1.6 0.910 110.9 42.1 -64.1 -43.4 -4.0 16.7 11.0 49 47 A E H <5S+ 0 0 169 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.575 108.9 60.4 -83.5 -8.2 -5.0 13.3 9.8 50 48 A F H <5S+ 0 0 72 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.813 117.0 32.5 -74.5 -36.6 -1.3 12.5 9.2 51 49 A Y H <5S- 0 0 5 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.2 0.684 102.7-132.9 -86.5 -21.6 -1.0 13.1 13.0 52 50 A G T <5S+ 0 0 68 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.680 76.2 93.5 69.3 21.3 -4.5 11.8 13.9 53 51 A K S + 0 0 54 -2,-0.5 4,-2.6 1,-0.1 -1,-0.1 0.328 63.7 94.6 -98.1 0.6 0.3 32.5 27.0 63 67 A Q T 4 S+ 0 0 95 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.686 87.6 43.9 -67.4 -19.5 -2.0 30.0 25.2 64 68 A I T > S+ 0 0 30 -3,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.810 119.4 38.8 -91.1 -36.2 0.9 27.6 24.7 65 69 A L H > S+ 0 0 8 -4,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.791 104.4 62.9 -92.5 -32.1 2.5 27.9 28.2 66 70 A E H >< S+ 0 0 89 -4,-2.6 3,-0.6 2,-0.2 4,-0.2 0.916 109.7 41.9 -60.9 -46.9 -0.5 28.1 30.5 67 71 A P H >> S+ 0 0 22 0, 0.0 4,-3.0 0, 0.0 3,-2.8 0.908 107.7 62.9 -59.6 -43.2 -1.7 24.6 29.5 68 72 A A H 3< S+ 0 0 1 -4,-0.9 -2,-0.2 1,-0.3 32,-0.2 0.671 86.2 73.8 -58.5 -20.3 1.9 23.4 29.6 69 73 A K T << S+ 0 0 109 -4,-0.9 -1,-0.3 -3,-0.6 -67,-0.2 0.698 121.8 8.3 -63.1 -19.5 1.9 24.2 33.3 70 74 A T T <4 S+ 0 0 102 -3,-2.8 2,-0.3 1,-0.2 -2,-0.2 0.607 125.4 49.1-132.5 -31.6 -0.3 21.0 33.7 71 75 A K S < S- 0 0 95 -4,-3.0 2,-0.6 -69,-0.1 -68,-0.6 -0.799 85.8 -95.2-118.7 156.5 -0.4 19.1 30.3 72 76 A N E -a 3 0A 42 -2,-0.3 -43,-2.3 -70,-0.2 -42,-1.3 -0.619 50.1-175.1 -68.1 114.1 2.0 17.8 27.7 73 77 A V E -ac 4 30A 0 -70,-2.6 -68,-3.4 -2,-0.6 2,-0.4 -0.907 12.7-152.3-118.4 139.8 2.0 20.5 25.1 74 78 A A E -ac 5 31A 0 -44,-2.6 -42,-3.6 -2,-0.4 2,-0.5 -0.948 4.2-164.7-115.7 133.5 3.8 20.4 21.7 75 79 A L E -ac 6 32A 13 -70,-3.6 -68,-2.9 -2,-0.4 2,-0.5 -0.983 12.2-154.9-114.4 123.4 5.1 23.4 19.8 76 80 A L E -ac 7 33A 0 -44,-3.2 -42,-2.5 -2,-0.5 2,-0.3 -0.843 14.4-179.3-104.4 127.9 6.0 22.7 16.1 77 81 A V E -a 8 0A 0 -70,-2.5 -68,-2.8 -2,-0.5 -67,-0.3 -0.936 33.0-104.2-127.9 146.4 8.5 24.9 14.3 78 82 A V S S- 0 0 22 -2,-0.3 2,-0.5 -70,-0.2 -67,-0.2 -0.493 89.1 -14.0 -66.1 133.2 9.9 25.0 10.8 79 83 A G B S-E 10 0B 4 -69,-3.0 -69,-1.5 -2,-0.2 2,-0.3 -0.633 119.2 -15.2 83.2-124.4 13.4 23.6 10.6 80 84 A D > - 0 0 21 -2,-0.5 4,-2.2 -72,-0.2 5,-0.2 -0.930 54.7-128.2-121.9 145.2 15.3 23.2 13.8 81 85 A V H > S+ 0 0 1 -2,-0.3 4,-1.1 23,-0.3 6,-0.6 0.938 113.5 23.9 -55.3 -53.4 14.5 24.7 17.2 82 86 A Y H 4 S+ 0 0 122 2,-0.2 -1,-0.2 1,-0.2 6,-0.1 0.835 115.6 66.9 -82.1 -38.8 18.0 26.1 17.7 83 87 A G H 4 S+ 0 0 15 1,-0.2 -2,-0.2 23,-0.1 -1,-0.2 0.844 107.3 42.0 -48.0 -40.3 18.7 26.2 14.0 84 88 A A H < S- 0 0 42 -4,-2.2 -1,-0.2 -6,-0.1 -2,-0.2 0.879 85.9-167.0 -74.9 -42.3 16.0 28.9 13.7 85 89 A T >< + 0 0 62 -4,-1.1 3,-0.7 -5,-0.2 -3,-0.1 0.370 61.1 104.2 68.6 -3.9 17.1 30.7 16.9 86 90 A T T > + 0 0 92 1,-0.2 3,-0.7 -5,-0.2 4,-0.1 0.802 68.1 69.1 -68.5 -28.8 13.8 32.7 16.9 87 91 A H T 3> + 0 0 7 -6,-0.6 4,-1.0 1,-0.2 -1,-0.2 0.078 63.2 106.1 -87.6 23.2 12.6 30.5 19.7 88 92 A S H <> S+ 0 0 72 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.805 74.2 57.6 -70.1 -32.0 15.0 31.8 22.4 89 93 A D H <> S+ 0 0 42 -3,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.787 99.4 60.7 -71.9 -27.5 12.3 33.8 24.3 90 94 A I H > S+ 0 0 34 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.935 101.8 51.2 -61.8 -50.8 10.2 30.6 24.8 91 95 A F H X S+ 0 0 35 -4,-1.0 4,-2.2 1,-0.2 -2,-0.2 0.914 112.4 46.8 -53.3 -48.5 13.0 28.9 26.8 92 96 A V H X S+ 0 0 66 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.930 111.2 50.4 -60.4 -49.1 13.2 32.0 29.0 93 97 A R H X S+ 0 0 104 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.859 111.0 50.5 -59.0 -37.4 9.4 32.2 29.5 94 98 A C H X>S+ 0 0 1 -4,-2.6 5,-2.5 2,-0.2 4,-0.7 0.895 109.0 50.4 -65.3 -45.3 9.4 28.4 30.4 95 99 A Q H ><5S+ 0 0 144 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.941 108.1 53.8 -55.5 -49.7 12.2 28.9 32.9 96 100 A K H 3<5S+ 0 0 170 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.737 115.7 40.0 -56.2 -26.3 10.2 31.8 34.5 97 101 A M H 3<5S- 0 0 62 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.367 111.9-112.5-111.5 2.0 7.2 29.5 34.9 98 102 A G T <<5 + 0 0 72 -3,-1.2 2,-0.5 -4,-0.7 -3,-0.2 0.778 61.6 152.9 75.4 28.4 8.8 26.3 36.0 99 103 A I < - 0 0 16 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.822 42.9-131.8 -97.5 126.0 8.0 24.4 32.8 100 104 A E - 0 0 132 -2,-0.5 -96,-2.4 -98,-0.2 2,-0.4 -0.528 25.3-151.3 -69.1 136.8 10.3 21.5 31.8 101 105 A V E -b 4 0A 47 -2,-0.2 2,-0.5 -98,-0.2 -96,-0.2 -0.944 12.4-166.6-118.0 136.3 11.2 21.8 28.1 102 106 A K E -b 5 0A 97 -98,-3.0 -96,-2.7 -2,-0.4 2,-0.4 -0.975 10.3-155.7-124.4 119.0 12.1 18.9 25.7 103 107 A V E -b 6 0A 18 -2,-0.5 2,-0.5 -98,-0.2 -96,-0.2 -0.762 3.7-163.0 -92.8 130.8 13.7 19.8 22.3 104 108 A I E -b 7 0A 7 -98,-2.9 -96,-2.5 -2,-0.4 -23,-0.3 -0.983 20.7-141.6-114.0 120.1 13.4 17.5 19.4 105 109 A H + 0 0 107 -2,-0.5 2,-0.2 -98,-0.2 -84,-0.2 -0.430 27.5 159.4 -85.5 154.0 16.0 18.3 16.7 106 110 A N - 0 0 38 -2,-0.1 -23,-0.1 1,-0.1 -97,-0.1 -0.843 46.9 -45.9-153.3-173.6 15.6 18.3 12.9 107 111 A A - 0 0 34 -91,-0.3 -97,-0.3 -2,-0.2 2,-0.3 -0.224 52.2-158.8 -63.5 153.5 17.2 19.7 9.7 108 112 A S >> - 0 0 5 -29,-0.2 4,-2.8 1,-0.1 3,-0.9 -0.972 30.2-121.7-135.3 149.6 18.1 23.4 9.6 109 113 A I H 3> S+ 0 0 34 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.845 111.6 66.9 -57.3 -31.5 18.6 25.8 6.7 110 114 A M H 34 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.828 112.7 27.1 -63.2 -36.7 22.1 26.3 8.3 111 115 A N H X4 S+ 0 0 84 -3,-0.9 3,-2.2 2,-0.1 -2,-0.2 0.856 114.6 64.8 -86.6 -39.9 23.3 22.8 7.5 112 116 A A H >< S+ 0 0 21 -4,-2.8 3,-1.9 1,-0.3 94,-0.2 0.739 84.0 73.4 -56.1 -31.4 21.0 22.2 4.4 113 117 A I G >< S+ 0 0 2 -4,-1.7 3,-1.8 1,-0.3 5,-0.4 0.523 72.0 91.4 -63.4 -6.4 22.8 25.0 2.4 114 118 A G G X + 0 0 29 -3,-2.2 3,-1.6 1,-0.3 -1,-0.3 0.683 65.2 79.2 -57.4 -19.0 25.6 22.5 2.1 115 119 A C G < S+ 0 0 49 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.622 76.8 73.6 -69.7 -9.6 23.9 21.3 -1.1 116 120 A S G < S- 0 0 0 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.753 112.4-113.8 -69.3 -27.5 25.5 24.3 -2.7 117 121 A G S < S+ 0 0 19 -3,-1.6 2,-0.2 1,-0.5 129,-0.2 0.216 76.3 128.5 104.1 -13.0 28.9 22.7 -2.7 118 122 A L - 0 0 5 -5,-0.4 -1,-0.5 128,-0.1 2,-0.4 -0.567 67.3-110.6 -74.7 139.8 30.4 25.2 -0.2 119 123 A Q > - 0 0 83 -2,-0.2 3,-1.0 1,-0.1 35,-0.2 -0.605 18.2-147.1 -72.7 122.8 32.1 23.7 2.8 120 124 A L G > S+ 0 0 64 -2,-0.4 3,-1.2 1,-0.2 -1,-0.1 0.737 95.1 62.7 -63.1 -28.3 30.1 24.3 6.0 121 125 A Y G 3 S+ 0 0 207 1,-0.2 -1,-0.2 32,-0.0 -2,-0.0 0.781 97.7 60.6 -67.7 -25.3 33.2 24.6 8.2 122 126 A R G < S+ 0 0 38 -3,-1.0 32,-2.6 31,-0.1 2,-0.4 0.465 79.0 112.1 -82.3 -1.1 34.2 27.6 6.2 123 127 A F B < -f 154 0C 35 -3,-1.2 32,-0.2 30,-0.2 3,-0.1 -0.614 50.2-163.4 -75.2 126.6 31.0 29.6 7.1 124 128 A G - 0 0 17 30,-3.0 32,-0.1 -2,-0.4 2,-0.1 0.168 51.5 -29.7 -82.5-152.0 31.7 32.6 9.2 125 129 A Q - 0 0 91 19,-0.2 31,-0.3 1,-0.1 -1,-0.3 -0.373 66.5-116.7 -73.3 146.1 28.9 34.4 11.2 126 130 A T - 0 0 58 29,-0.1 2,-0.3 -3,-0.1 31,-0.2 -0.569 31.2-159.2 -82.1 140.5 25.3 34.4 9.8 127 131 A V E -g 157 0D 5 29,-2.3 31,-3.3 -2,-0.2 2,-0.4 -0.879 7.3-142.7-125.0 156.2 23.8 37.7 8.8 128 132 A S E -g 158 0D 75 -2,-0.3 2,-0.5 29,-0.2 13,-0.3 -0.969 3.9-153.4-122.7 129.4 20.2 39.0 8.4 129 133 A V E -g 159 0D 1 29,-2.6 31,-0.6 -2,-0.4 2,-0.2 -0.881 19.6-157.0 -99.6 130.8 18.9 41.5 5.8 130 134 A C - 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