==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-FEB-06 2DEK . COMPND 2 MOLECULE: PROBABLE DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.SHIMIZU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (R . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 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 . 2 0.4 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 7 0 0 0 3 3 1 4 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 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 PARALLEL BRIDGES PER LADDER . 5 2 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 104 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 82.2 108.0 44.6 55.3 2 2 A V E -ab 79 107A 24 76,-1.7 78,-3.1 104,-0.1 2,-0.4 -0.992 360.0-140.6-158.3 156.5 104.6 45.0 57.0 3 3 A L E -ab 80 108A 0 104,-2.3 106,-2.3 -2,-0.3 2,-0.5 -0.987 14.8-161.4-124.3 126.3 101.7 43.2 58.6 4 4 A Y E -ab 81 109A 39 76,-2.8 78,-3.6 -2,-0.4 2,-0.8 -0.933 8.9-154.9-107.8 124.9 98.1 44.2 58.1 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.2 -2,-0.5 2,-0.5 -0.895 25.8-174.0 -90.0 112.0 95.4 43.0 60.5 6 6 A I E -ab 83 111A 0 76,-2.5 78,-1.8 -2,-0.8 2,-0.2 -0.926 17.0-143.2-118.6 121.3 92.3 43.2 58.2 7 7 A G E -a 84 0A 0 104,-2.5 10,-0.5 -2,-0.5 80,-0.2 -0.543 3.9-161.2 -78.2 143.3 88.8 42.6 59.4 8 8 A L - 0 0 3 76,-3.0 7,-0.3 78,-0.3 3,-0.2 0.516 39.5-130.2-100.2 -11.2 86.4 40.9 57.0 9 9 A G B -E 86 0B 1 77,-1.5 77,-3.2 75,-0.4 -1,-0.3 -0.387 32.9 -46.7 96.8-168.9 83.1 42.0 58.7 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.1 -1,-0.2 0.831 110.8 -6.4 -79.7 -43.7 79.9 40.4 59.9 11 11 A Y S S+ 0 0 56 1,-0.3 30,-2.2 -3,-0.2 31,-0.2 0.737 112.4 13.4-129.9 -52.6 78.4 38.1 57.3 12 12 A D S > S- 0 0 19 198,-0.1 3,-2.3 29,-0.1 -1,-0.3 -0.779 79.5 -88.8-132.2 177.9 79.9 37.8 53.9 13 13 A E G > S+ 0 0 38 1,-0.3 3,-1.0 28,-0.3 271,-0.2 0.739 118.4 65.0 -59.9 -21.0 83.0 38.7 51.8 14 14 A R G 3 S+ 0 0 58 1,-0.2 271,-2.7 270,-0.1 270,-0.4 0.496 80.3 80.6 -82.1 -1.2 81.5 42.1 50.9 15 15 A D G < + 0 0 1 -3,-2.3 -1,-0.2 -7,-0.3 2,-0.2 0.454 69.5 103.9 -83.7 0.2 81.5 43.3 54.6 16 16 A I S < S- 0 0 1 -3,-1.0 268,-2.5 -4,-0.1 269,-0.3 -0.538 81.2-110.0 -73.1 146.9 85.2 44.1 54.2 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.417 20.9-116.0 -75.5 157.7 85.9 47.8 53.8 18 18 A V H > S+ 0 0 9 264,-2.7 4,-2.8 262,-0.3 5,-0.2 0.922 119.5 53.2 -56.2 -42.3 87.1 49.2 50.5 19 19 A K H > S+ 0 0 2 261,-2.8 4,-2.2 263,-0.3 5,-0.2 0.936 108.9 48.6 -55.5 -48.5 90.3 50.2 52.3 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.892 112.9 47.4 -60.9 -41.0 90.8 46.6 53.5 21 21 A L H X S+ 0 0 18 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.926 111.4 49.8 -67.2 -45.1 90.1 45.1 50.1 22 22 A E H X S+ 0 0 72 -4,-2.8 4,-0.6 -5,-0.2 -2,-0.2 0.886 114.9 44.5 -62.3 -38.9 92.5 47.5 48.3 23 23 A I H >X S+ 0 0 17 -4,-2.2 3,-1.0 -5,-0.2 4,-0.7 0.928 111.9 51.5 -70.7 -45.1 95.3 46.8 50.7 24 24 A A H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.880 103.7 59.3 -58.5 -38.4 94.7 43.0 50.7 25 25 A K H 3< S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.762 107.8 46.0 -62.8 -25.6 94.8 43.0 46.9 26 26 A K H << S+ 0 0 157 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.514 89.4 109.3 -96.0 -6.8 98.4 44.4 46.9 27 27 A C << - 0 0 1 -3,-1.0 53,-0.2 -4,-0.7 3,-0.1 -0.357 62.5-143.4 -72.8 151.7 99.8 42.1 49.6 28 28 A D S S+ 0 0 84 51,-2.2 2,-0.4 1,-0.2 52,-0.2 0.886 85.9 22.4 -78.5 -43.8 102.3 39.4 48.8 29 29 A Y E -c 80 0A 107 50,-1.6 52,-2.3 24,-0.1 2,-0.5 -0.969 67.0-161.5-126.7 143.5 101.0 36.8 51.3 30 30 A V E +c 81 0A 8 24,-0.4 26,-2.4 -2,-0.4 2,-0.2 -0.960 10.3 176.5-129.9 117.9 97.5 36.5 52.9 31 31 A F E +cd 82 56A 6 50,-3.3 52,-3.2 -2,-0.5 2,-0.3 -0.708 7.1 179.4-105.8 165.5 96.7 34.5 56.0 32 32 A A E -cd 83 57A 0 24,-2.0 26,-3.2 50,-0.3 2,-0.4 -0.993 18.2-148.9-159.4 158.8 93.4 34.2 57.9 33 33 A E E - d 0 58A 0 50,-2.1 26,-0.1 -2,-0.3 24,-0.0 -0.994 9.3-179.2-131.1 144.3 91.6 32.7 60.8 34 34 A F + 0 0 58 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.147 63.0 90.4-131.2 38.6 88.0 31.7 61.1 35 35 A Y S S+ 0 0 17 23,-0.1 135,-0.4 1,-0.1 136,-0.1 0.579 76.6 62.4-105.7 -14.9 87.9 30.3 64.7 36 36 A T S S- 0 0 11 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.688 119.1 -9.3 -84.1 -19.3 87.0 33.5 66.5 37 37 A S - 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.958 68.9-104.1-161.9 179.7 83.6 33.9 64.7 38 38 A L - 0 0 34 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.968 10.4-162.1-124.4 121.7 81.4 32.7 62.0 39 39 A M > - 0 0 14 -2,-0.5 3,-1.2 1,-0.1 -28,-0.2 -0.811 15.7-175.7 -96.0 93.7 80.7 34.4 58.7 40 40 A A T 3 S+ 0 0 40 -2,-1.0 -1,-0.1 -30,-0.4 -28,-0.1 0.569 71.6 56.1 -72.0 -8.8 77.6 32.5 57.7 41 41 A G T 3 S+ 0 0 14 -30,-2.2 2,-0.3 -31,-0.1 -28,-0.3 0.220 104.2 42.7-113.1 16.9 77.1 34.1 54.3 42 42 A T < - 0 0 23 -3,-1.2 2,-0.3 -31,-0.2 -3,-0.1 -0.875 59.7-137.6-146.5-179.4 80.4 33.3 52.6 43 43 A T > - 0 0 69 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.930 35.3-107.2-137.1 164.6 83.2 30.8 51.9 44 44 A L H > S+ 0 0 64 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.908 120.5 56.4 -56.0 -39.5 87.0 30.8 51.7 45 45 A G H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 105.8 47.9 -60.8 -43.0 86.6 30.5 47.9 46 46 A R H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 112.7 49.4 -67.6 -35.7 84.5 33.6 47.6 47 47 A I H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.921 111.2 48.7 -67.2 -44.2 86.9 35.6 49.8 48 48 A Q H X>S+ 0 0 38 -4,-2.8 4,-1.7 1,-0.2 5,-1.3 0.902 111.0 51.6 -60.0 -40.7 89.9 34.4 47.7 49 49 A K H <5S+ 0 0 179 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.916 109.2 50.3 -62.1 -43.2 88.1 35.4 44.6 50 50 A L H <5S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.932 119.6 33.9 -62.7 -48.9 87.3 38.9 45.9 51 51 A I H <5S- 0 0 4 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.643 104.0-130.7 -83.0 -15.1 90.9 39.7 47.0 52 52 A G T <5S+ 0 0 57 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.866 70.8 100.5 72.0 34.6 92.3 37.7 44.0 53 53 A K S - 0 0 39 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.382 34.9 -99.5 -85.5 170.5 94.1 27.2 63.4 60 60 A R H > S+ 0 0 99 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.893 126.8 49.1 -57.5 -38.3 93.9 28.7 66.9 61 61 A E H >>S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 5,-0.9 0.894 106.1 55.3 -68.6 -40.8 97.1 26.8 67.8 62 62 A D H >5S+ 0 0 43 3,-0.2 4,-1.0 2,-0.2 7,-0.2 0.941 118.6 35.5 -53.9 -45.7 98.9 28.1 64.7 63 63 A V H X5S+ 0 0 1 -4,-2.2 4,-1.5 3,-0.2 5,-0.2 0.976 120.8 42.3 -73.0 -58.8 98.2 31.6 65.8 64 64 A E H <5S+ 0 0 69 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.826 131.4 23.8 -64.3 -32.1 98.4 31.5 69.5 65 65 A L H <5S+ 0 0 104 -4,-2.0 -1,-0.2 -5,-0.3 -3,-0.2 0.754 136.3 23.9-102.4 -30.7 101.5 29.3 69.6 66 66 A N H >XS+ 0 0 0 -4,-1.5 4,-2.0 1,-0.3 5,-1.8 0.940 86.9 47.9 -53.6 -46.0 102.2 33.3 64.8 68 68 A E H 345S+ 0 0 74 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.606 115.6 46.2 -73.2 -9.6 105.8 34.5 65.1 69 69 A N H <45S+ 0 0 98 -3,-1.1 -1,-0.2 -7,-0.2 -2,-0.2 0.644 124.0 29.0-101.9 -21.6 107.0 31.3 63.4 70 70 A I H <5S+ 0 0 29 -4,-2.0 4,-0.4 -3,-0.3 -3,-0.2 0.833 131.9 18.9-104.2 -51.2 104.5 31.2 60.6 71 71 A V T >X5S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.4 3,-0.6 0.906 115.9 56.8 -91.9 -48.5 103.4 34.7 59.6 72 72 A L H 3>4 S+ 0 0 56 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.920 108.7 44.7 -52.1 -43.8 109.0 35.6 59.2 74 74 A L H X> S+ 0 0 53 -3,-0.6 3,-1.1 -4,-0.4 4,-0.6 0.842 106.5 59.3 -69.0 -35.1 107.3 36.4 55.9 75 75 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 32,-0.2 0.585 90.8 72.8 -72.2 -8.2 106.3 39.9 56.9 76 76 A K T << S+ 0 0 93 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.774 117.7 15.4 -75.1 -26.4 110.0 40.7 57.5 77 77 A E T <4 S+ 0 0 153 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.2 0.211 128.9 44.3-130.4 12.5 110.7 40.8 53.8 78 78 A N S < S- 0 0 43 -4,-0.6 -76,-1.7 -5,-0.1 2,-0.7 -0.955 83.8 -98.3-148.3 167.5 107.2 41.0 52.3 79 79 A D E -a 2 0A 57 -2,-0.3 -51,-2.2 -78,-0.2 -50,-1.6 -0.838 48.9-175.4 -89.9 113.8 103.8 42.8 52.7 80 80 A V E -ac 3 29A 0 -78,-3.1 -76,-2.8 -2,-0.7 2,-0.4 -0.883 14.9-160.0-117.3 143.5 101.5 40.4 54.6 81 81 A A E -ac 4 30A 0 -52,-2.3 -50,-3.3 -2,-0.4 2,-0.5 -0.938 3.8-160.1-118.4 142.8 97.9 40.5 55.6 82 82 A F E -ac 5 31A 0 -78,-3.6 -76,-2.5 -2,-0.4 2,-0.3 -0.963 17.3-157.0-120.0 111.7 96.1 38.6 58.3 83 83 A L E +ac 6 32A 0 -52,-3.2 -50,-2.1 -2,-0.5 -76,-0.2 -0.669 15.0 172.7 -92.9 144.6 92.3 38.4 57.9 84 84 A T E -a 7 0A 0 -78,-1.8 -76,-3.0 -2,-0.3 -75,-0.4 -0.972 36.9 -95.7-140.6 158.3 89.7 37.8 60.6 85 85 A P S S- 0 0 1 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.327 91.4 -12.6 -65.2 153.7 85.9 37.8 60.8 86 86 A G B S-E 9 0B 1 -77,-3.2 -77,-1.5 -79,-0.1 -78,-0.3 -0.180 129.9 -14.0 55.4-141.6 84.3 41.0 62.1 87 87 A D > - 0 0 0 446,-2.3 3,-1.3 -80,-0.2 25,-0.1 -0.851 68.1-133.0 -92.8 132.1 86.9 43.4 63.6 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.719 101.0 40.8 -58.1 -25.3 90.2 41.7 64.2 89 89 A L T > S+ 0 0 9 5,-0.1 2,-0.7 444,-0.1 3,-0.5 0.435 87.5 103.1-107.1 -0.8 90.6 43.1 67.8 90 90 A V T < S- 0 0 0 -3,-1.3 -3,-0.1 443,-0.3 3,-0.1 -0.756 102.9 -17.1 -91.6 118.4 87.1 42.9 69.2 91 91 A A T 3 S+ 0 0 44 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.871 117.5 98.8 58.0 34.6 86.5 40.0 71.6 92 92 A T S < S- 0 0 22 -3,-0.5 -1,-0.3 441,-0.1 3,-0.2 -0.864 78.3-127.0-131.5 174.8 89.6 38.3 70.4 93 93 A T S > S+ 0 0 87 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.121 77.0 111.9-106.1 22.3 93.1 38.1 71.8 94 94 A H T >> + 0 0 1 -6,-0.4 3,-1.6 1,-0.2 4,-0.5 0.727 56.7 77.4 -69.0 -21.6 94.7 39.3 68.5 95 95 A A H >> S+ 0 0 17 1,-0.3 3,-1.7 -3,-0.2 4,-0.6 0.896 88.0 60.1 -54.9 -37.7 95.8 42.6 69.9 96 96 A E H X> S+ 0 0 53 -3,-1.0 4,-1.5 1,-0.3 3,-0.7 0.752 90.3 70.5 -61.6 -23.8 98.7 40.9 71.7 97 97 A L H <> S+ 0 0 2 -3,-1.6 4,-1.9 -4,-0.3 -1,-0.3 0.748 88.5 62.9 -66.0 -22.8 99.9 39.8 68.2 98 98 A R H S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 4,-0.4 0.947 108.0 49.9 -61.3 -50.0 105.1 41.9 65.6 102 102 A K H ><5S+ 0 0 100 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.945 111.2 49.8 -53.0 -48.5 106.8 44.9 67.2 103 103 A R H 3<5S+ 0 0 166 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.782 106.1 55.8 -64.4 -24.9 109.3 42.5 68.8 104 104 A A T 3<5S- 0 0 28 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.500 119.5-113.3 -82.7 0.7 109.9 40.8 65.4 105 105 A G T < 5S+ 0 0 45 -3,-1.9 2,-0.6 -4,-0.4 -3,-0.2 0.731 74.7 136.6 77.6 17.0 110.8 44.3 64.1 106 106 A V < - 0 0 3 -5,-2.9 -1,-0.3 -6,-0.2 2,-0.2 -0.881 51.7-136.3-103.9 123.4 107.6 44.2 61.9 107 107 A E E -b 2 0A 119 -106,-0.6 -104,-2.3 -2,-0.6 2,-0.4 -0.544 25.2-160.7 -72.1 137.3 105.4 47.3 61.6 108 108 A S E -b 3 0A 14 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.930 10.9-167.1-125.1 150.7 101.7 46.4 61.8 109 109 A Y E -b 4 0A 64 -106,-2.3 -104,-3.1 -2,-0.4 2,-0.5 -0.954 13.9-138.5-130.8 150.6 98.6 48.3 60.8 110 110 A V E -b 5 0A 10 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.947 9.5-168.0-117.5 125.9 94.9 47.6 61.6 111 111 A I E -b 6 0A 4 -106,-3.2 -104,-2.5 -2,-0.5 -94,-0.1 -0.949 21.6-145.6-111.7 111.3 92.1 47.9 59.1 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.169 17.9-177.4 -72.6 166.9 88.8 47.8 60.9 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.938 45.1 -57.2-155.1 167.3 85.5 46.3 59.6 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.277 57.7-160.8 -54.7 133.8 81.9 46.0 60.9 115 115 A S >> - 0 0 0 264,-0.3 4,-2.0 -29,-0.2 3,-1.0 -0.887 29.5-127.4-120.0 149.5 81.8 44.3 64.3 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.837 107.1 71.4 -62.0 -28.3 78.9 42.6 66.2 117 117 A Y H 34 S+ 0 0 13 1,-0.2 -1,-0.2 2,-0.2 -26,-0.0 0.838 111.4 26.2 -58.3 -35.8 79.8 45.0 69.0 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-2.0 1,-0.1 -1,-0.2 0.684 107.6 74.8 -99.6 -21.0 78.4 48.0 67.2 119 119 A A H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.3 -2,-0.2 0.705 74.1 85.0 -62.9 -17.5 76.0 46.0 65.0 120 120 A V G ><> + 0 0 1 -4,-1.0 3,-2.2 1,-0.3 5,-0.5 0.702 68.3 83.3 -57.2 -17.7 73.8 45.7 68.2 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.9 1,-0.3 -1,-0.3 0.789 75.3 69.0 -57.7 -27.6 72.5 49.1 67.2 122 122 A I G < 5S+ 0 0 2 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.579 85.8 69.3 -69.7 -7.7 70.0 47.4 64.9 123 123 A T G < 5S- 0 0 0 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.575 110.1-121.0 -83.8 -9.6 68.2 46.1 67.9 124 124 A G T < 5S+ 0 0 2 -3,-1.9 2,-0.4 1,-0.3 125,-0.2 0.379 71.3 131.5 86.9 -7.1 67.1 49.6 68.7 125 125 A L < - 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