==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-APR-12 4AQK . COMPND 2 MOLECULE: INOSITOL-PENTAKISPHOSPHATE 2-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.I BANOS-SANZ,J.SANZ-APARICIO,B.GONZALEZ . 414 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 14.5 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 . 0 0.0 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 . 19 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 3 1 2 0 0 1 1 4 0 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 3 4 0 0 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 . 1 0 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 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 0 120 0, 0.0 98,-0.5 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 -60.9 -18.5 12.4 -28.1 2 2 A E + 0 0 174 96,-0.1 2,-0.3 2,-0.1 96,-0.1 0.681 360.0 100.4 -64.7 -19.5 -20.6 14.9 -30.1 3 3 A M - 0 0 78 1,-0.0 96,-0.9 2,-0.0 2,-0.5 -0.543 55.6-171.7 -68.2 126.5 -22.6 11.7 -30.9 4 4 A I E -a 99 0A 97 -2,-0.3 96,-0.2 94,-0.1 2,-0.2 -0.959 19.5-135.4-123.7 112.4 -25.8 11.5 -28.8 5 5 A L E -a 100 0A 2 94,-2.4 96,-1.7 -2,-0.5 99,-0.4 -0.462 27.4-176.3 -72.6 130.8 -27.6 8.1 -29.2 6 6 A E > - 0 0 76 -2,-0.2 4,-0.6 94,-0.1 3,-0.2 -0.464 43.0 -79.9-117.1-172.5 -31.4 8.3 -29.7 7 7 A E T >4 S+ 0 0 113 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.800 123.8 53.6 -65.2 -33.2 -34.3 5.8 -30.0 8 8 A K G >4 S+ 0 0 163 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.883 99.5 62.9 -68.6 -37.7 -33.8 5.0 -33.7 9 9 A D G >4 S+ 0 0 44 1,-0.3 3,-1.7 -3,-0.2 -1,-0.2 0.729 86.8 76.1 -57.3 -25.3 -30.1 4.1 -33.1 10 10 A A G X< S+ 0 0 3 -4,-0.6 3,-1.0 -3,-0.6 -1,-0.3 0.706 80.9 66.7 -63.4 -24.1 -31.3 1.2 -30.8 11 11 A S G < S+ 0 0 88 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.644 92.3 65.9 -68.8 -14.9 -32.3 -0.9 -33.8 12 12 A D G < S+ 0 0 52 -3,-1.7 16,-2.6 -4,-0.2 17,-0.7 0.157 87.8 76.3-100.2 16.4 -28.6 -1.2 -34.7 13 13 A W E < -B 27 0A 3 -3,-1.0 2,-0.3 14,-0.2 14,-0.2 -0.993 57.5-166.2-130.8 132.0 -27.4 -3.2 -31.7 14 14 A I E -B 26 0A 78 12,-2.9 12,-2.2 -2,-0.4 2,-0.3 -0.743 36.8 -83.5-111.4 164.4 -27.9 -6.9 -31.0 15 15 A Y E +B 25 0A 21 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.481 46.9 161.8 -68.3 124.9 -27.4 -9.0 -27.8 16 16 A R E - 0 0 38 8,-1.9 2,-0.3 1,-0.4 9,-0.2 0.768 56.1 -73.9-105.0 -52.8 -23.8 -10.0 -27.3 17 17 A G E -B 24 0A 14 7,-1.9 7,-2.6 224,-0.1 -1,-0.4 -0.956 38.2-139.3 171.4 178.0 -23.8 -10.9 -23.6 18 18 A E E -B 23 0A 13 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.984 4.6-164.5-154.0 159.6 -23.9 -9.7 -20.0 19 19 A G - 0 0 30 3,-1.7 5,-0.0 -2,-0.3 368,-0.0 -0.058 57.1 -70.1-112.9-134.0 -22.4 -10.3 -16.5 20 20 A G S S+ 0 0 39 -2,-0.1 3,-0.1 1,-0.0 -2,-0.0 0.706 126.7 28.5 -98.6 -25.2 -23.8 -8.9 -13.3 21 21 A A S S+ 0 0 42 1,-0.1 22,-3.2 21,-0.1 2,-0.3 0.663 117.2 45.3-108.8 -24.0 -23.1 -5.2 -13.6 22 22 A N E - C 0 42A 12 20,-0.3 -3,-1.7 104,-0.1 2,-0.4 -0.929 55.6-146.7-133.2 149.8 -23.2 -4.6 -17.4 23 23 A L E -BC 18 41A 0 18,-3.6 18,-3.4 -2,-0.3 2,-0.5 -0.921 21.1-158.4-106.2 136.0 -25.0 -5.3 -20.6 24 24 A V E -BC 17 40A 32 -7,-2.6 -8,-1.9 -2,-0.4 -7,-1.9 -0.975 8.4-173.3-122.2 123.7 -23.0 -5.6 -23.8 25 25 A L E -BC 15 39A 0 14,-2.1 14,-2.6 -2,-0.5 2,-0.3 -0.937 15.8-137.8-118.4 138.0 -24.4 -5.2 -27.3 26 26 A A E -BC 14 38A 6 -12,-2.2 -12,-2.9 -2,-0.4 2,-0.2 -0.690 27.4-110.1 -91.0 144.6 -22.7 -5.7 -30.6 27 27 A Y E +B 13 0A 35 10,-1.7 -14,-0.2 -2,-0.3 9,-0.2 -0.547 41.5 162.2 -73.9 136.7 -23.1 -3.3 -33.5 28 28 A A + 0 0 62 -16,-2.6 -15,-0.2 -2,-0.2 -1,-0.1 0.065 47.1 91.7-142.4 19.0 -25.2 -4.6 -36.4 29 29 A G S S- 0 0 22 -17,-0.7 -20,-0.0 2,-0.1 -2,-0.0 0.099 79.7-108.5 -94.6-148.3 -26.1 -1.4 -38.2 30 30 A S + 0 0 110 5,-0.0 5,-0.1 -2,-0.0 -3,-0.0 0.661 67.3 120.7-121.8 -31.0 -24.3 0.5 -41.0 31 31 A S >> - 0 0 37 1,-0.2 3,-1.2 3,-0.1 4,-0.6 -0.122 58.7-139.5 -47.4 129.8 -22.7 3.6 -39.6 32 32 A P T 34 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.584 97.2 67.1 -67.9 -9.1 -18.9 3.7 -40.2 33 33 A L T 34 S+ 0 0 106 1,-0.2 -2,-0.1 4,-0.0 0, 0.0 0.687 109.5 29.7 -87.0 -20.3 -18.5 5.1 -36.6 34 34 A F T X4 S+ 0 0 17 -3,-1.2 3,-1.6 3,-0.1 2,-0.2 0.335 84.2 125.1-121.6 3.0 -19.7 2.0 -34.7 35 35 A V T 3< S+ 0 0 79 -4,-0.6 110,-0.2 1,-0.3 3,-0.1 -0.496 83.0 14.9 -68.6 129.3 -18.7 -0.9 -37.1 36 36 A G T 3 S+ 0 0 16 1,-0.3 102,-2.3 -2,-0.2 2,-0.3 0.657 109.1 114.7 79.2 18.5 -16.5 -3.4 -35.3 37 37 A K E < - D 0 137A 56 -3,-1.6 -10,-1.7 100,-0.2 2,-0.3 -0.874 50.6-154.4-121.7 151.5 -17.5 -1.9 -31.9 38 38 A V E -CD 26 136A 12 98,-3.0 98,-2.6 -2,-0.3 2,-0.4 -0.867 14.5-134.1-117.3 158.2 -19.4 -3.1 -28.8 39 39 A I E -CD 25 135A 1 -14,-2.6 -14,-2.1 -2,-0.3 2,-0.6 -0.945 7.5-154.0-117.0 133.1 -21.3 -1.1 -26.2 40 40 A R E -CD 24 134A 32 94,-2.9 94,-2.0 -2,-0.4 2,-0.4 -0.928 16.0-176.2-107.7 119.8 -21.1 -1.5 -22.5 41 41 A I E -C 23 0A 3 -18,-3.4 -18,-3.6 -2,-0.6 2,-0.1 -0.974 22.9-123.9-124.7 126.1 -24.2 -0.4 -20.5 42 42 A Q E -C 22 0A 29 -2,-0.4 85,-2.8 -20,-0.2 -20,-0.3 -0.411 23.1-146.1 -73.2 137.0 -24.5 -0.4 -16.8 43 43 A K E -F 126 0B 23 -22,-3.2 2,-0.4 83,-0.3 83,-0.3 -0.526 2.4-149.1 -94.5 163.1 -27.4 -2.3 -15.1 44 44 A A E -F 125 0B 30 81,-3.0 81,-1.7 -2,-0.2 84,-0.0 -0.999 24.6-113.4-131.2 134.7 -29.3 -1.5 -11.9 45 45 A R E -F 124 0B 135 -2,-0.4 79,-0.2 79,-0.2 78,-0.1 -0.196 25.8-118.7 -61.8 162.7 -30.8 -4.1 -9.6 46 46 A R 0 0 125 77,-1.8 78,-0.1 1,-0.4 -1,-0.1 0.701 360.0 360.0 -59.2 -37.3 -34.6 -4.2 -9.4 47 47 A N 0 0 186 76,-0.1 -1,-0.4 0, 0.0 -2,-0.1 -0.998 360.0 360.0 -76.6 360.0 -33.8 -3.5 -6.5 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 59 A S 0 0 156 0, 0.0 3,-0.1 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -41.7 -23.7 10.2 -5.8 50 60 A V + 0 0 37 1,-0.2 2,-0.4 18,-0.2 20,-0.0 0.901 360.0 26.4 -79.2 -43.3 -21.0 8.4 -7.8 51 61 A L S S- 0 0 11 15,-0.2 -1,-0.2 17,-0.1 2,-0.0 -0.948 81.4-126.2-119.2 143.9 -18.8 7.7 -4.8 52 62 A T > - 0 0 72 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.279 34.9-101.7 -74.1 169.3 -19.8 7.3 -1.1 53 63 A S H > S+ 0 0 102 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.934 125.5 44.7 -58.0 -47.7 -18.1 9.4 1.6 54 64 A D H > S+ 0 0 66 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.838 111.2 54.2 -66.5 -35.3 -15.9 6.4 2.7 55 65 A E H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 105.9 51.7 -64.3 -44.0 -15.1 5.6 -1.0 56 66 A Q H < S+ 0 0 95 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.834 113.5 46.7 -59.4 -35.5 -13.9 9.2 -1.6 57 67 A H H >< S+ 0 0 62 -4,-1.4 3,-1.9 -5,-0.2 -2,-0.2 0.964 111.1 49.5 -68.8 -55.2 -11.7 8.7 1.5 58 68 A L H 3< S+ 0 0 4 -4,-3.1 3,-0.3 1,-0.3 -2,-0.2 0.842 118.0 39.6 -54.3 -39.8 -10.3 5.3 0.5 59 69 A W T >< S+ 0 0 2 -4,-2.3 3,-2.3 1,-0.2 7,-0.3 0.111 76.7 123.7 -99.4 21.9 -9.4 6.4 -3.1 60 70 A R T < + 0 0 104 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.732 62.3 70.1 -56.6 -25.2 -8.1 9.9 -2.0 61 71 A E T 3 S+ 0 0 125 -3,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.605 93.7 59.7 -71.7 -14.4 -4.8 9.2 -3.7 62 72 A N <> + 0 0 26 -3,-2.3 4,-1.7 1,-0.1 3,-0.3 -0.808 63.3 177.5-117.4 88.7 -6.4 9.4 -7.1 63 73 A N H > S+ 0 0 106 -2,-0.6 4,-1.2 1,-0.2 -1,-0.1 0.839 80.0 55.8 -62.5 -37.8 -7.9 12.9 -7.5 64 74 A E H 4 S+ 0 0 68 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.914 107.9 51.5 -57.7 -42.8 -9.1 12.3 -11.0 65 75 A L H >4 S+ 0 0 1 -3,-0.3 3,-1.3 1,-0.2 -2,-0.2 0.910 108.6 47.8 -62.6 -47.5 -11.0 9.3 -9.9 66 76 A I H 3< S+ 0 0 45 -4,-1.7 -1,-0.2 -7,-0.3 -2,-0.2 0.661 109.9 53.4 -73.5 -17.0 -12.9 11.0 -7.0 67 77 A S T 3< S+ 0 0 66 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.172 74.7 137.3-102.8 17.3 -13.9 13.9 -9.1 68 78 A S < - 0 0 4 -3,-1.3 -18,-0.2 1,-0.1 -17,-0.1 -0.510 50.1-146.5 -64.1 119.8 -15.5 11.7 -11.8 69 79 A P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.728 76.4 10.9 -64.3 -25.1 -18.8 13.4 -12.8 70 80 A N S > S- 0 0 27 -20,-0.0 4,-2.5 -21,-0.0 3,-0.1 -0.944 80.7-101.3-148.3 170.1 -20.5 10.0 -13.4 71 81 A K H > S+ 0 0 78 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.638 117.6 58.3 -70.3 -16.3 -20.0 6.2 -13.0 72 82 A E H > S+ 0 0 6 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.906 110.1 41.4 -77.2 -45.0 -19.0 5.8 -16.6 73 83 A V H > S+ 0 0 8 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.918 111.3 60.5 -63.0 -44.8 -16.1 8.3 -16.2 74 84 A L H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.904 107.6 42.1 -46.0 -54.3 -15.4 6.6 -12.9 75 85 A E H X S+ 0 0 21 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.936 114.0 52.4 -61.7 -48.4 -14.8 3.2 -14.5 76 86 A Q H X S+ 0 0 36 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.907 113.7 43.0 -53.7 -47.5 -12.8 4.7 -17.3 77 87 A R H X S+ 0 0 76 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.765 109.6 57.7 -73.2 -27.8 -10.5 6.5 -14.8 78 88 A Y H X>S+ 0 0 0 -4,-1.9 5,-1.8 -5,-0.3 4,-1.4 0.916 111.4 41.9 -67.4 -45.3 -10.3 3.5 -12.5 79 89 A V H <>S+ 0 0 12 -4,-2.4 5,-2.7 3,-0.2 -2,-0.2 0.965 119.2 45.4 -60.8 -52.9 -8.9 1.4 -15.3 80 90 A Q H <5S+ 0 0 106 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.808 125.0 28.3 -63.9 -36.8 -6.6 4.2 -16.6 81 91 A N H <5S+ 0 0 57 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.487 134.1 21.1-112.4 -5.8 -5.2 5.3 -13.3 82 92 A V T <5S+ 0 0 14 -4,-1.4 4,-0.3 -5,-0.2 -3,-0.2 0.650 125.0 38.2-124.9 -53.4 -5.3 2.2 -11.1 83 93 A I T >>< - 0 0 17 -4,-3.5 3,-0.5 -5,-0.3 -2,-0.1 0.093 19.9-101.9 94.8 145.0 0.4 -2.5 -18.3 89 99 A P G > S+ 0 0 97 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.559 98.6 89.4 -78.3 -9.8 -1.3 -0.8 -21.2 90 100 A K G 3 S+ 0 0 173 1,-0.2 -2,-0.1 -6,-0.1 293,-0.1 0.859 102.6 20.8 -59.2 -41.6 -0.5 -3.4 -23.8 91 101 A H G < S+ 0 0 44 -3,-0.5 294,-2.9 -4,-0.1 2,-0.4 0.045 108.0 92.1-117.5 22.9 -3.6 -5.6 -23.4 92 102 A V B < -g 385 0C 17 -3,-1.0 2,-0.5 292,-0.2 294,-0.1 -0.972 44.7-176.9-130.2 124.3 -6.0 -3.1 -21.7 93 103 A D - 0 0 63 292,-0.6 3,-0.1 -2,-0.4 -3,-0.0 -0.976 11.1-167.2-120.8 121.2 -8.5 -0.7 -23.3 94 104 A A - 0 0 9 -2,-0.5 -15,-0.1 1,-0.2 -1,-0.1 0.538 41.7-137.1 -82.0 -10.0 -10.5 1.7 -21.0 95 105 A G - 0 0 7 39,-0.1 2,-0.4 1,-0.0 41,-0.2 0.030 13.1 -81.4 80.6 174.3 -12.9 2.5 -23.9 96 106 A V E - E 0 135A 78 39,-2.6 39,-3.4 -3,-0.1 2,-0.1 -0.972 37.2-122.7-122.9 132.8 -14.5 5.7 -25.2 97 107 A R E - E 0 134A 69 -2,-0.4 2,-0.3 37,-0.2 37,-0.2 -0.377 23.7-172.2 -70.0 145.7 -17.6 7.5 -23.7 98 108 A V E - E 0 133A 4 35,-2.1 35,-1.1 -2,-0.1 2,-0.2 -0.987 25.1-121.8-138.9 131.4 -20.7 8.2 -25.7 99 109 A S E -aE 4 132A 46 -96,-0.9 -94,-2.4 -98,-0.5 2,-0.3 -0.489 35.3-171.4 -68.4 135.7 -23.7 10.3 -24.7 100 110 A V E -a 5 0A 8 31,-1.5 2,-0.2 -96,-0.2 -94,-0.1 -0.910 18.5-121.9-129.5 155.1 -27.0 8.4 -24.7 101 111 A S > - 0 0 13 -96,-1.7 4,-1.9 -2,-0.3 5,-0.1 -0.626 23.2-120.4 -92.9 157.9 -30.6 9.3 -24.3 102 112 A K H > S+ 0 0 118 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.851 116.5 52.8 -59.7 -35.6 -33.0 7.8 -21.7 103 113 A E H > S+ 0 0 80 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.907 103.6 54.0 -69.3 -45.1 -35.1 6.5 -24.6 104 114 A F H > S+ 0 0 0 -99,-0.4 4,-2.5 1,-0.2 5,-0.3 0.947 110.6 48.3 -51.5 -51.6 -32.2 4.8 -26.4 105 115 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.894 112.8 47.4 -56.9 -46.2 -31.5 2.9 -23.2 106 116 A E H X S+ 0 0 87 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.897 113.2 47.8 -63.4 -42.9 -35.2 2.0 -22.7 107 117 A C H X S+ 0 0 54 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.857 114.4 45.4 -69.5 -36.3 -35.6 0.8 -26.3 108 118 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.869 110.4 56.5 -73.5 -36.1 -32.4 -1.3 -26.2 109 119 A D H X S+ 0 0 26 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.960 114.7 37.1 -54.4 -55.4 -33.6 -2.6 -22.8 110 120 A K H < S+ 0 0 169 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.865 112.3 60.6 -68.4 -38.3 -36.9 -3.9 -24.3 111 121 A K H < S+ 0 0 76 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.917 111.8 35.8 -53.5 -51.1 -35.2 -5.0 -27.6 112 122 A V H >X S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 4,-0.7 0.584 86.6 103.1 -85.3 -11.9 -32.8 -7.5 -26.1 113 123 A T G >< S+ 0 0 53 -4,-0.9 3,-1.4 -3,-0.3 -1,-0.2 0.823 81.2 49.6 -39.5 -51.4 -35.1 -8.8 -23.3 114 124 A K G 34 S+ 0 0 202 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.749 107.9 54.4 -66.2 -23.7 -36.0 -12.0 -25.1 115 125 A Q G <4 S+ 0 0 85 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.510 94.7 89.9 -88.1 -5.9 -32.3 -12.8 -25.8 116 126 A R S << S- 0 0 12 -3,-1.4 2,-0.1 -4,-0.7 126,-0.1 -0.572 89.7 -99.3 -87.7 150.4 -31.5 -12.4 -22.0 117 127 A P > - 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