==== 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 28-JUL-06 2DV3 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUCTURAL . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.4 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 . 49 9.2 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 . 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 25.0 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 2 4 2 3 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 1 3 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 0 144 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 9.2 55.4 96.1 54.6 2 2 A V E -ab 79 107A 9 76,-1.1 78,-3.0 104,-0.1 2,-0.4 -0.997 360.0-145.1-155.3 152.0 52.0 96.6 56.3 3 3 A L E -ab 80 108A 0 104,-2.3 106,-2.3 -2,-0.3 2,-0.5 -0.981 15.1-161.1-121.8 130.0 49.2 94.6 58.0 4 4 A Y E -ab 81 109A 38 76,-2.4 78,-3.0 -2,-0.4 2,-0.7 -0.931 9.9-154.7-113.3 132.7 45.6 95.7 57.6 5 5 A F E -ab 82 110A 0 104,-3.0 106,-3.4 -2,-0.5 2,-0.5 -0.932 25.9-175.6-102.1 111.7 42.8 94.5 60.0 6 6 A I E -ab 83 111A 0 76,-2.1 78,-1.6 -2,-0.7 2,-0.2 -0.947 17.6-143.1-118.5 122.1 39.7 94.8 57.8 7 7 A G E -a 84 0A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.542 3.2-159.9 -79.4 145.5 36.2 94.2 59.0 8 8 A L - 0 0 3 76,-2.8 7,-0.3 78,-0.3 3,-0.2 0.516 39.4-126.3-100.9 -9.7 33.7 92.5 56.7 9 9 A G B -E 86 0B 1 77,-1.5 77,-3.6 75,-0.4 -1,-0.3 -0.390 32.9 -52.5 97.8-175.0 30.5 93.6 58.3 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.2 -1,-0.1 0.835 110.1 -2.8 -76.0 -44.4 27.4 92.0 59.7 11 11 A Y S S+ 0 0 54 1,-0.3 30,-2.5 199,-0.2 31,-0.3 0.765 112.7 11.3-124.4 -50.6 25.8 89.7 57.2 12 12 A D S > S- 0 0 16 29,-0.2 3,-2.0 198,-0.2 -1,-0.3 -0.788 79.4 -88.0-132.1 177.3 27.2 89.4 53.7 13 13 A E G > S+ 0 0 42 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.699 118.1 64.2 -59.5 -21.1 30.3 90.3 51.6 14 14 A R G 3 S+ 0 0 63 1,-0.2 271,-2.5 270,-0.1 270,-0.6 0.547 81.0 79.9 -82.0 -5.0 28.8 93.7 50.7 15 15 A D G < S+ 0 0 1 -3,-2.0 -1,-0.2 -7,-0.3 -5,-0.2 0.499 70.1 102.7 -78.0 -3.2 28.9 94.8 54.3 16 16 A I S < S- 0 0 2 -3,-0.9 268,-2.5 -4,-0.1 269,-0.3 -0.482 82.4-109.9 -74.0 152.1 32.6 95.5 53.9 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.1 95,-0.3 266,-0.3 -0.430 19.4-115.7 -81.2 161.5 33.3 99.3 53.5 18 18 A V H > S+ 0 0 11 264,-2.5 4,-2.6 262,-0.4 5,-0.3 0.944 119.2 54.1 -59.4 -46.8 34.5 100.7 50.1 19 19 A K H > S+ 0 0 2 261,-2.8 4,-1.6 263,-0.3 -1,-0.2 0.922 109.5 48.2 -52.3 -46.7 37.7 101.6 51.8 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.4 92,-0.2 -1,-0.2 0.857 111.1 48.9 -65.0 -37.1 38.1 98.0 53.0 21 21 A L H X S+ 0 0 16 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.945 110.5 49.4 -68.9 -47.3 37.4 96.5 49.6 22 22 A E H X S+ 0 0 76 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.827 115.8 44.2 -61.7 -33.6 39.8 98.7 47.7 23 23 A I H >X S+ 0 0 17 -4,-1.6 3,-0.6 -5,-0.3 4,-0.6 0.900 110.9 52.1 -78.1 -42.5 42.6 98.0 50.1 24 24 A A H 3< S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.769 105.7 59.1 -63.9 -24.5 41.9 94.3 50.3 25 25 A K H 3< S+ 0 0 103 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 106.8 44.9 -72.9 -32.9 42.1 94.3 46.5 26 26 A K H << S+ 0 0 166 -4,-0.7 -1,-0.2 -3,-0.6 2,-0.2 0.433 89.3 110.2 -91.8 -1.3 45.7 95.6 46.5 27 27 A C < - 0 0 1 -4,-0.6 53,-0.2 -3,-0.3 3,-0.1 -0.512 60.8-146.4 -78.9 144.6 47.0 93.3 49.2 28 28 A D S S+ 0 0 88 51,-1.9 2,-0.4 1,-0.2 52,-0.2 0.889 86.0 25.5 -74.0 -41.4 49.5 90.6 48.3 29 29 A Y E -c 80 0A 102 50,-1.5 52,-2.3 24,-0.1 2,-0.5 -0.982 67.0-164.4-128.7 137.4 48.2 88.2 50.9 30 30 A V E +cd 81 55A 7 24,-0.5 26,-2.1 -2,-0.4 2,-0.3 -0.966 9.7 176.9-126.8 118.1 44.8 87.9 52.5 31 31 A F E +cd 82 56A 7 50,-3.5 52,-2.9 -2,-0.5 2,-0.3 -0.726 6.9 179.7-110.0 164.0 44.1 86.0 55.7 32 32 A A E -cd 83 57A 0 24,-1.8 26,-3.3 50,-0.3 2,-0.4 -0.989 18.7-151.4-160.2 159.8 40.8 85.7 57.6 33 33 A E - 0 0 0 50,-1.8 26,-0.1 -2,-0.3 24,-0.0 -0.989 8.6-179.7-136.1 143.4 39.1 84.2 60.6 34 34 A F + 0 0 54 24,-0.4 5,-0.1 -2,-0.4 50,-0.1 -0.135 62.0 91.2-134.4 37.0 35.4 83.3 60.9 35 35 A Y S S+ 0 0 16 23,-0.2 135,-0.4 1,-0.1 136,-0.1 0.564 75.4 63.6-106.8 -14.2 35.3 81.9 64.4 36 36 A T S S- 0 0 11 1,-0.1 2,-0.3 133,-0.1 -1,-0.1 0.639 119.0 -10.3 -85.1 -14.7 34.5 85.1 66.3 37 37 A S - 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.972 69.4-103.0-167.5 176.9 31.1 85.5 64.6 38 38 A L - 0 0 31 -2,-0.3 2,-0.9 -28,-0.1 -3,-0.1 -0.966 10.5-162.9-123.7 125.6 28.8 84.3 61.8 39 39 A M > - 0 0 14 -2,-0.5 3,-1.0 1,-0.1 -28,-0.2 -0.868 15.1-176.6-102.4 94.3 28.1 86.0 58.5 40 40 A A T 3 S+ 0 0 38 -2,-0.9 -28,-0.1 -30,-0.4 -1,-0.1 0.498 70.7 58.5 -72.8 -5.8 24.9 84.2 57.6 41 41 A G T 3 S+ 0 0 14 -30,-2.5 2,-0.2 -31,-0.1 -1,-0.2 0.262 104.2 35.1-111.8 14.9 24.5 85.8 54.2 42 42 A T < - 0 0 19 -3,-1.0 2,-0.3 -31,-0.3 -3,-0.1 -0.844 61.4-135.1-149.4-175.7 27.7 85.0 52.4 43 43 A T > - 0 0 70 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.914 35.2-104.5-142.0 167.1 30.4 82.3 51.8 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.929 121.4 55.1 -59.7 -43.1 34.2 82.3 51.5 45 45 A G H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 107.3 47.2 -55.9 -47.8 33.8 81.9 47.8 46 46 A R H > S+ 0 0 132 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 112.7 49.7 -62.9 -40.6 31.6 85.0 47.4 47 47 A I H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.927 109.4 52.7 -63.4 -44.8 34.0 87.0 49.5 48 48 A Q H X>S+ 0 0 40 -4,-2.9 4,-2.3 1,-0.2 5,-1.3 0.889 108.0 50.3 -59.1 -41.3 36.9 85.8 47.5 49 49 A K H <5S+ 0 0 163 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.924 110.1 50.0 -64.4 -44.1 35.3 86.9 44.2 50 50 A L H <5S+ 0 0 49 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.934 120.1 35.8 -59.4 -47.7 34.5 90.4 45.5 51 51 A I H <5S- 0 0 6 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.748 101.3-137.9 -77.5 -24.6 38.1 90.9 46.7 52 52 A G T <5 + 0 0 59 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.809 66.3 107.3 70.0 30.4 39.4 88.9 43.7 53 53 A K S - 0 0 43 -2,-0.4 4,-2.3 -26,-0.1 5,-0.2 -0.361 36.1 -98.0 -84.3 170.4 41.5 78.8 63.1 60 60 A R H > S+ 0 0 103 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.868 126.4 49.4 -58.4 -36.7 41.4 80.3 66.6 61 61 A E H >>S+ 0 0 110 2,-0.2 4,-2.8 1,-0.2 5,-1.1 0.917 106.7 53.8 -69.9 -42.4 44.6 78.4 67.5 62 62 A D H >5S+ 0 0 45 3,-0.2 4,-1.2 2,-0.2 7,-0.2 0.936 118.8 37.1 -55.0 -46.7 46.4 79.5 64.3 63 63 A V H X5S+ 0 0 2 -4,-2.3 4,-1.7 3,-0.2 5,-0.2 0.990 122.0 39.9 -69.7 -63.1 45.6 83.1 65.3 64 64 A E H <5S+ 0 0 56 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.849 131.5 26.4 -58.3 -37.8 46.0 83.0 69.1 65 65 A R H <5S+ 0 0 138 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.2 0.803 136.5 21.7 -96.7 -35.4 49.1 80.8 69.1 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-1.7 1,-0.3 5,-1.6 0.934 86.3 49.4 -56.4 -44.9 49.6 84.8 64.3 68 68 A E H 345S+ 0 0 78 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.580 115.2 44.8 -70.6 -9.8 53.2 86.0 64.5 69 69 A N H <45S+ 0 0 101 -3,-1.4 -1,-0.2 -7,-0.2 -2,-0.2 0.708 124.0 29.3-104.5 -27.8 54.4 82.9 62.7 70 70 A I H <5S+ 0 0 27 -4,-2.4 4,-0.4 -8,-0.2 -3,-0.2 0.879 132.1 21.3 -98.1 -52.8 51.8 82.7 59.9 71 71 A V T >X5S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.4 3,-0.8 0.951 116.8 53.1 -85.8 -56.5 50.7 86.3 59.2 72 72 A L H 3>4 S+ 0 0 61 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.907 108.0 44.6 -49.4 -42.8 56.4 87.1 58.6 74 74 A L H X> S+ 0 0 51 -3,-0.8 4,-1.0 -4,-0.4 3,-1.0 0.813 103.0 64.8 -71.0 -31.5 54.6 87.9 55.3 75 75 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.4 32,-0.2 0.630 92.0 65.2 -68.0 -14.0 53.7 91.5 56.4 76 76 A K T << S+ 0 0 107 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.790 118.6 21.3 -79.3 -27.6 57.4 92.4 56.5 77 77 A E T <4 S+ 0 0 161 -3,-1.0 2,-0.3 -4,-0.4 -2,-0.2 0.309 129.7 36.5-120.0 3.7 58.0 91.9 52.8 78 78 A N S < S- 0 0 38 -4,-1.0 -76,-1.1 -5,-0.1 2,-0.8 -0.973 83.1 -99.9-152.2 164.4 54.4 92.3 51.6 79 79 A D E -a 2 0A 61 -2,-0.3 -51,-1.9 -78,-0.2 -50,-1.5 -0.810 48.9-172.2 -89.9 113.3 51.1 94.1 52.1 80 80 A V E -ac 3 29A 0 -78,-3.0 -76,-2.4 -2,-0.8 2,-0.4 -0.813 14.2-157.7-112.6 150.2 48.9 91.7 54.1 81 81 A A E -ac 4 30A 0 -52,-2.3 -50,-3.5 -2,-0.3 2,-0.5 -0.960 3.7-162.1-126.0 142.9 45.2 91.8 55.1 82 82 A F E -ac 5 31A 0 -78,-3.0 -76,-2.1 -2,-0.4 -50,-0.3 -0.960 17.9-159.1-125.5 108.3 43.5 90.0 58.0 83 83 A L E +ac 6 32A 0 -52,-2.9 -50,-1.8 -2,-0.5 -76,-0.2 -0.629 13.2 175.1 -92.6 148.4 39.7 89.9 57.5 84 84 A T E -a 7 0A 0 -78,-1.6 -76,-2.8 -2,-0.2 -75,-0.4 -0.991 36.9 -96.7-147.7 151.2 37.1 89.3 60.3 85 85 A P S S- 0 0 1 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.264 92.9 -11.8 -62.2 160.0 33.3 89.4 60.5 86 86 A G B S-E 9 0B 2 -77,-3.6 -77,-1.5 -79,-0.1 -78,-0.3 -0.153 129.9 -13.6 49.2-137.2 31.8 92.7 61.8 87 87 A D > - 0 0 0 446,-2.6 3,-1.3 -80,-0.2 25,-0.1 -0.877 67.9-133.2 -97.8 128.5 34.4 95.1 63.2 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.697 100.1 41.5 -53.5 -25.0 37.8 93.3 63.9 89 89 A L T > S+ 0 0 10 5,-0.1 3,-0.6 444,-0.1 2,-0.6 0.498 87.7 102.8-106.3 -2.2 38.2 94.8 67.4 90 90 A V T < S- 0 0 0 -3,-1.3 -3,-0.1 443,-0.3 3,-0.1 -0.719 102.0 -17.1 -89.0 119.6 34.8 94.5 68.8 91 91 A A T 3 S+ 0 0 43 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.879 117.2 97.5 57.1 39.3 34.2 91.6 71.3 92 92 A T S < S- 0 0 21 -3,-0.6 -1,-0.3 441,-0.1 3,-0.2 -0.822 79.8-125.3-140.0 175.5 37.3 89.8 70.1 93 93 A T S > S+ 0 0 85 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.052 77.6 112.8-113.1 22.0 40.8 89.7 71.5 94 94 A H T >> + 0 0 2 -6,-0.4 3,-1.8 1,-0.2 4,-0.5 0.753 56.2 76.2 -67.4 -24.9 42.2 90.9 68.2 95 95 A A H >> S+ 0 0 15 1,-0.3 3,-1.6 -6,-0.2 4,-0.5 0.872 89.3 59.6 -54.3 -36.2 43.4 94.3 69.5 96 96 A E H X> S+ 0 0 53 -3,-0.9 4,-1.5 1,-0.3 3,-0.8 0.768 91.1 69.7 -64.1 -24.2 46.3 92.5 71.2 97 97 A L H <> S+ 0 0 3 -3,-1.8 4,-1.9 -4,-0.3 -1,-0.3 0.739 89.0 63.0 -65.8 -22.7 47.4 91.3 67.7 98 98 A R H S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 -1,-0.2 0.938 108.3 47.8 -58.8 -48.4 52.5 93.4 65.0 102 102 A K H ><5S+ 0 0 94 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.943 109.8 52.7 -57.7 -49.4 54.5 96.3 66.6 103 103 A R H 3<5S+ 0 0 157 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.874 107.8 52.1 -54.0 -40.9 56.9 93.8 68.2 104 104 A A T 3<5S- 0 0 24 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.431 119.7-111.9 -77.4 1.4 57.5 92.3 64.8 105 105 A G T < 5S+ 0 0 67 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.739 73.8 137.8 74.2 22.5 58.3 95.7 63.3 106 106 A V < - 0 0 4 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.903 49.7-138.1-107.0 122.5 55.1 95.6 61.2 107 107 A E E -b 2 0A 125 -106,-0.6 -104,-2.3 -2,-0.5 2,-0.3 -0.564 24.9-158.9 -75.3 138.9 52.9 98.7 61.0 108 108 A S E -b 3 0A 13 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.920 12.2-165.7-125.9 150.9 49.2 98.0 61.2 109 109 A Y E -b 4 0A 65 -106,-2.3 -104,-3.0 -2,-0.3 2,-0.5 -0.967 13.4-139.3-131.2 147.8 46.1 99.8 60.1 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.930 9.2-168.1-114.0 127.4 42.4 99.2 61.1 111 111 A I E -b 6 0A 3 -106,-3.4 -104,-2.4 -2,-0.5 -94,-0.1 -0.950 21.7-145.5-112.2 110.7 39.5 99.4 58.6 112 112 A H - 0 0 8 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.207 18.0-177.4 -73.7 165.1 36.2 99.4 60.5 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.937 44.7 -58.3-153.0 166.5 33.0 97.8 59.3 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.267 57.4-160.3 -53.4 135.6 29.4 97.6 60.6 115 115 A S >> - 0 0 0 264,-0.3 4,-2.3 -29,-0.2 3,-1.3 -0.917 29.5-127.6-122.4 147.8 29.3 96.0 64.1 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.0 1,-0.3 -1,-0.1 0.825 107.0 71.3 -60.8 -27.0 26.5 94.3 66.0 117 117 A Y H 34 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.830 112.1 25.2 -60.2 -33.8 27.4 96.6 68.8 118 118 A S H X4 S+ 0 0 0 -3,-1.3 3,-2.1 1,-0.1 -1,-0.2 0.676 108.4 74.4-102.0 -21.9 26.0 99.6 67.0 119 119 A A H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.3 -2,-0.2 0.717 75.1 83.6 -62.7 -17.4 23.5 97.7 64.9 120 120 A V G ><> + 0 0 1 -4,-1.0 3,-2.3 1,-0.3 5,-0.5 0.703 69.1 83.4 -58.5 -16.4 21.5 97.4 68.0 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.803 75.3 69.6 -58.4 -26.0 20.2 100.8 67.1 122 122 A I G < 5S+ 0 0 7 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.645 85.3 68.4 -69.4 -11.2 17.7 99.1 64.8 123 123 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.574 110.8-119.5 -81.6 -10.2 15.9 97.8 67.9 124 124 A G T < 5S+ 0 0 2 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.383 72.1 131.4 88.4 -6.2 14.8 101.3 68.7 125 125 A L < - 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