==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-01 1GQL . COMPND 2 MOLECULE: ALPHA-D-GLUCURONIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO JAPONICUS; . AUTHOR D.NURIZZO,T.NAGY,H.J.GILBERT,G.J.DAVIES . 1400 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 955 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 0.1 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 . 89 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 450 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 8 2 4 0 4 0 4 2 4 2 2 0 2 2 2 0 2 0 0 0 2 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 2 4 12 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 PARALLEL BRIDGES PER LADDER . 10 2 0 2 0 0 0 2 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 0 2 0 0 2 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 5 A E 0 0 80 0, 0.0 636,-0.2 0, 0.0 635,-0.0 0.000 360.0 360.0 360.0 108.3 6.4 19.5 13.5 2 6 A D - 0 0 64 445,-0.1 0, 0.0 634,-0.1 0, 0.0 0.228 360.0-115.3-109.3 8.0 7.0 16.1 15.0 3 7 A G S > S+ 0 0 7 3,-0.1 3,-1.3 481,-0.1 4,-0.0 0.400 78.9 125.0 77.5 0.2 5.0 14.4 12.2 4 8 A Y T 3 S+ 0 0 31 1,-0.3 -1,-0.1 2,-0.1 444,-0.0 0.865 75.7 50.2 -63.7 -33.7 2.2 13.1 14.4 5 9 A D T > S- 0 0 70 1,-0.2 3,-2.4 2,-0.1 -1,-0.3 0.624 87.5-171.7 -77.4 -11.5 -0.4 14.7 12.2 6 10 A M T < - 0 0 2 -3,-1.3 -1,-0.2 1,-0.3 -3,-0.1 -0.348 69.5 -16.3 55.3-124.9 1.1 13.2 9.0 7 11 A W T 3 S+ 0 0 0 1,-0.2 2,-0.8 449,-0.1 -1,-0.3 0.397 120.6 86.2 -92.8 4.7 -0.7 14.9 6.1 8 12 A L < + 0 0 6 -3,-2.4 2,-0.9 2,-0.1 -1,-0.2 -0.523 53.8 151.0-103.9 62.3 -3.6 16.2 8.1 9 13 A R - 0 0 29 -2,-0.8 2,-1.5 474,-0.4 -3,-0.0 -0.833 28.3-166.8 -96.4 100.7 -1.9 19.4 9.1 10 14 A Y + 0 0 30 -2,-0.9 43,-0.1 3,-0.0 -2,-0.1 -0.575 30.2 146.6 -95.8 74.1 -4.6 22.0 9.5 11 15 A Q - 0 0 81 -2,-1.5 3,-0.1 1,-0.1 40,-0.1 -0.764 59.2 -77.8-105.6 151.2 -2.4 25.1 9.6 12 16 A P - 0 0 65 0, 0.0 41,-0.2 0, 0.0 40,-0.2 -0.210 54.2-100.7 -53.2 132.2 -3.5 28.5 8.2 13 17 A I - 0 0 7 39,-2.3 6,-0.1 1,-0.1 119,-0.1 -0.414 30.5-149.9 -55.0 122.7 -3.3 28.8 4.4 14 18 A A S S+ 0 0 75 -2,-0.1 2,-0.9 -3,-0.1 -1,-0.1 0.747 77.3 83.7 -73.6 -30.4 -0.0 30.8 3.9 15 19 A D > - 0 0 76 1,-0.2 4,-2.9 2,-0.1 5,-0.2 -0.706 68.1-161.4 -75.5 107.5 -1.1 32.5 0.6 16 20 A Q H > S+ 0 0 113 -2,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.826 86.2 50.8 -64.0 -35.4 -3.0 35.5 2.1 17 21 A T H > S+ 0 0 113 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.917 114.9 44.0 -66.5 -45.6 -5.0 36.2 -1.1 18 22 A L H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.906 109.2 56.7 -64.4 -44.5 -6.1 32.6 -1.4 19 23 A L H X S+ 0 0 6 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.939 106.1 51.4 -52.5 -45.9 -6.9 32.4 2.4 20 24 A K H X S+ 0 0 112 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.869 107.1 53.0 -61.9 -36.7 -9.3 35.4 2.0 21 25 A T H X S+ 0 0 57 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.930 110.6 46.4 -64.3 -45.2 -11.0 33.7 -0.9 22 26 A Y H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.904 110.8 53.5 -60.7 -41.3 -11.6 30.5 1.2 23 27 A Q H < S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 110.2 47.4 -62.5 -32.6 -12.8 32.7 4.1 24 28 A K H < S+ 0 0 116 -4,-1.8 3,-0.2 -5,-0.2 -1,-0.2 0.861 115.9 44.9 -75.0 -39.0 -15.3 34.4 1.9 25 29 A Q H < S+ 0 0 18 -4,-2.0 2,-0.7 1,-0.2 -2,-0.2 0.876 117.4 40.2 -73.5 -42.9 -16.5 31.0 0.4 26 30 A I < + 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 42,-0.2 -0.829 59.7 141.1-117.8 93.0 -16.8 29.0 3.7 27 31 A R S S+ 0 0 94 40,-2.8 2,-0.3 -2,-0.7 41,-0.2 0.632 70.2 25.1-102.4 -22.5 -18.2 31.0 6.5 28 32 A H E -a 68 0A 53 39,-1.2 41,-2.9 -3,-0.2 2,-0.5 -0.963 63.5-138.1-141.8 161.0 -20.4 28.3 8.1 29 33 A L E -ab 69 59A 2 29,-0.7 31,-2.3 -2,-0.3 2,-0.6 -0.976 19.0-165.7-125.7 112.8 -20.6 24.6 8.4 30 34 A H E +ab 70 60A 15 39,-3.2 41,-2.1 -2,-0.5 2,-0.4 -0.904 14.7 165.4-107.3 116.6 -24.0 23.0 8.1 31 35 A V E +a 71 0A 10 29,-2.0 41,-0.1 -2,-0.6 46,-0.1 -0.948 11.3 173.1-135.3 110.3 -24.5 19.4 9.1 32 36 A A + 0 0 24 39,-0.7 -1,-0.1 -2,-0.4 45,-0.1 0.785 58.9 84.8 -83.0 -35.8 -28.1 18.0 9.6 33 37 A G - 0 0 10 38,-0.4 38,-0.0 1,-0.1 44,-0.0 -0.234 49.2-175.5 -69.9 161.4 -27.1 14.4 10.2 34 38 A D + 0 0 130 4,-0.0 -1,-0.1 5,-0.0 -3,-0.0 0.217 35.0 127.2-146.1 17.4 -25.9 12.8 13.4 35 39 A S S > S- 0 0 29 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.287 76.3-101.7 -63.8 159.5 -24.9 9.2 12.8 36 40 A P H > S+ 0 0 87 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.886 123.8 49.1 -52.5 -39.6 -21.4 8.4 14.2 37 41 A T H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.922 112.1 46.4 -70.7 -43.6 -19.9 8.6 10.6 38 42 A I H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.918 111.7 52.9 -64.0 -41.1 -21.5 12.0 9.9 39 43 A N H X S+ 0 0 84 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.868 108.5 50.3 -58.3 -38.7 -20.4 13.2 13.4 40 44 A A H X S+ 0 0 8 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.885 111.4 48.2 -66.9 -38.8 -16.8 12.1 12.5 41 45 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.933 112.7 48.8 -66.2 -45.4 -17.0 14.0 9.2 42 46 A A H X S+ 0 0 9 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.927 110.9 49.4 -61.2 -41.4 -18.4 17.1 11.0 43 47 A A H X S+ 0 0 50 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.870 111.4 50.0 -67.1 -37.1 -15.6 16.9 13.6 44 48 A E H X S+ 0 0 1 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.919 112.9 45.2 -65.8 -48.0 -13.0 16.6 10.9 45 49 A L H X>S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.890 112.1 53.5 -63.1 -39.9 -14.4 19.6 8.9 46 50 A Q H X5S+ 0 0 69 -4,-2.8 4,-1.8 -5,-0.2 11,-0.4 0.970 117.0 35.7 -61.2 -51.4 -14.7 21.7 12.2 47 51 A R H X5S+ 0 0 116 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.908 122.3 47.1 -68.8 -39.0 -11.1 21.1 13.2 48 52 A G H X5S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.2 5,-0.3 0.946 115.8 40.8 -69.5 -52.9 -9.8 21.2 9.5 49 53 A L H X5S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 6,-0.3 0.915 114.6 54.1 -63.1 -39.4 -11.6 24.3 8.3 50 54 A S H XXS+ 0 0 31 -4,-1.8 5,-1.3 -5,-0.5 4,-0.6 0.901 114.9 40.0 -62.1 -41.2 -11.0 26.1 11.6 51 55 A G H <5S+ 0 0 20 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.944 119.0 43.6 -72.0 -49.7 -7.2 25.5 11.3 52 56 A L H <5S+ 0 0 3 -4,-2.8 -39,-2.3 1,-0.2 -2,-0.2 0.833 122.1 38.8 -65.7 -36.7 -6.8 26.1 7.6 53 57 A L H <5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.504 103.0-131.0 -94.9 -5.2 -9.0 29.3 7.6 54 58 A N T <5S+ 0 0 109 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.894 73.7 88.9 57.4 44.5 -7.7 30.5 11.0 55 59 A K S > - 0 0 2 -2,-0.3 4,-1.9 40,-0.2 3,-0.7 -0.787 46.6-106.3-110.5 163.0 -26.9 12.4 1.9 74 78 A P T 34 S+ 0 0 50 0, 0.0 7,-0.2 0, 0.0 41,-0.1 0.806 122.3 58.7 -56.1 -30.1 -30.4 12.9 0.5 75 79 A D T 34 S+ 0 0 150 1,-0.2 40,-0.1 40,-0.2 41,-0.0 0.841 119.7 22.7 -67.9 -36.1 -31.5 10.7 3.3 76 80 A N T <4 S+ 0 0 35 -3,-0.7 -1,-0.2 1,-0.2 -44,-0.0 0.427 118.0 59.4-114.7 -1.9 -30.1 12.9 6.2 77 81 A S X - 0 0 0 -4,-1.9 4,-2.5 1,-0.1 3,-0.2 -0.872 53.8-170.8-131.1 96.8 -29.9 16.4 4.7 78 82 A P H > S+ 0 0 99 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.854 90.3 59.2 -54.9 -31.0 -33.2 17.9 3.4 79 83 A L H > S+ 0 0 28 2,-0.2 4,-0.6 1,-0.2 26,-0.1 0.933 109.8 41.3 -63.2 -46.1 -31.1 20.7 1.8 80 84 A I H >4 S+ 0 0 1 -3,-0.2 3,-1.1 -7,-0.2 5,-0.4 0.908 112.6 54.1 -67.3 -43.2 -29.2 18.2 -0.3 81 85 A A H >< S+ 0 0 33 -4,-2.5 3,-1.9 -8,-0.3 -2,-0.2 0.881 100.5 62.9 -55.1 -39.1 -32.3 16.2 -1.1 82 86 A S H 3< S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.715 90.6 66.4 -62.8 -24.2 -33.9 19.5 -2.4 83 87 A L T << S- 0 0 46 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.605 94.4-144.1 -70.4 -13.7 -31.3 19.8 -5.1 84 88 A N < + 0 0 141 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.927 28.5 174.9 46.7 57.9 -32.7 16.6 -6.8 85 89 A L > + 0 0 25 -5,-0.4 3,-1.0 1,-0.2 4,-0.3 0.770 15.9 166.0 -67.5 -27.2 -29.3 15.5 -7.9 86 90 A G T >> + 0 0 48 1,-0.2 4,-2.7 2,-0.2 3,-1.0 -0.165 57.8 4.2 58.4-133.5 -30.7 12.2 -9.2 87 91 A E H 3> S+ 0 0 162 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.787 124.0 63.5 -56.7 -37.4 -28.6 10.0 -11.5 88 92 A R H <4 S+ 0 0 116 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.848 114.5 32.8 -58.7 -39.3 -25.5 12.2 -11.3 89 93 A L H X4 S+ 0 0 3 -3,-1.0 3,-1.7 -4,-0.3 -2,-0.2 0.866 116.9 55.2 -82.6 -46.1 -25.2 11.5 -7.6 90 94 A Q H >< S+ 0 0 142 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.854 95.8 66.0 -57.6 -36.7 -26.6 8.0 -7.6 91 95 A A T 3< S+ 0 0 77 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.1 0.685 87.7 72.1 -58.1 -19.1 -24.0 6.8 -10.2 92 96 A L T X> S- 0 0 20 -3,-1.7 4,-1.2 1,-0.2 3,-0.7 0.508 90.8-158.7 -80.7 -5.4 -21.3 7.4 -7.5 93 97 A G T <4 - 0 0 35 -3,-1.9 22,-0.5 1,-0.2 3,-0.2 -0.056 41.9 -28.2 69.7-159.0 -22.4 4.3 -5.6 94 98 A A T 34 S+ 0 0 75 1,-0.2 25,-0.3 21,-0.1 -1,-0.2 0.546 138.7 24.5 -78.2 -12.3 -22.0 3.4 -2.0 95 99 A E T <4 S+ 0 0 39 -3,-0.7 -1,-0.2 23,-0.1 -2,-0.2 0.389 98.8 101.1-130.6 -0.3 -18.7 5.2 -1.3 96 100 A G < - 0 0 0 -4,-1.2 19,-0.6 -3,-0.2 20,-0.4 -0.285 45.9-168.1 -89.4 171.6 -18.6 8.0 -3.9 97 101 A Y E -DE 114 144A 4 47,-2.3 47,-2.1 17,-0.2 2,-0.4 -0.976 18.4-132.4-154.6 163.0 -19.3 11.7 -3.5 98 102 A L E -DE 113 143A 1 15,-3.0 15,-2.7 -2,-0.3 2,-0.5 -0.988 12.3-164.3-123.6 130.2 -19.9 15.0 -5.3 99 103 A L E +DE 112 142A 0 43,-3.3 43,-2.8 -2,-0.4 2,-0.3 -0.977 26.8 161.2-112.6 122.6 -18.2 18.3 -4.3 100 104 A E E -DE 111 141A 22 11,-1.9 11,-3.1 -2,-0.5 2,-0.5 -0.965 42.5-137.5-154.7 133.3 -19.9 21.3 -5.9 101 105 A Q E +D 110 0A 67 39,-2.6 9,-0.2 -2,-0.3 2,-0.2 -0.752 55.9 128.4 -81.6 124.0 -20.3 25.0 -5.6 102 106 A T E -D 109 0A 36 7,-2.9 7,-2.5 -2,-0.5 2,-0.4 -0.768 53.3 -90.0-156.5-164.1 -24.0 25.7 -6.0 103 107 A R E -D 108 0A 130 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.988 22.5-174.5-131.1 140.4 -27.1 27.4 -4.6 104 108 A I E > S-D 107 0A 3 3,-2.0 3,-2.2 -2,-0.4 -24,-0.1 -0.976 82.1 -16.7-134.4 121.2 -29.7 26.2 -2.2 105 109 A N T 3 S- 0 0 117 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.874 127.0 -57.9 51.7 41.9 -32.7 28.5 -1.5 106 110 A K T 3 S+ 0 0 180 1,-0.2 2,-0.3 -40,-0.0 -1,-0.3 0.367 110.4 126.4 68.0 -0.4 -30.7 31.4 -3.0 107 111 A R E < - D 0 104A 83 -3,-2.2 -3,-2.0 -41,-0.1 2,-0.5 -0.655 66.9-117.7 -84.2 142.9 -27.9 30.9 -0.4 108 112 A H E + D 0 103A 52 -2,-0.3 -41,-1.7 -5,-0.2 -40,-1.5 -0.700 49.3 165.8 -77.1 127.0 -24.3 30.4 -1.8 109 113 A V E -cD 68 102A 3 -7,-2.5 -7,-2.9 -2,-0.5 2,-0.4 -0.957 39.5-145.3-140.2 160.1 -23.1 26.9 -0.8 110 114 A V E -cD 69 101A 3 -42,-2.1 -40,-2.7 -2,-0.3 2,-0.3 -0.998 31.2-150.3-118.4 129.9 -20.5 24.3 -1.4 111 115 A I E -cD 70 100A 0 -11,-3.1 -11,-1.9 -2,-0.4 2,-0.5 -0.805 21.4-165.0-103.6 143.7 -21.9 20.8 -1.1 112 116 A V E +cD 71 99A 0 -42,-2.1 -40,-2.2 -2,-0.3 2,-0.4 -0.952 34.1 175.7-116.6 99.4 -20.3 17.5 0.0 113 117 A A E +cD 72 98A 0 -15,-2.7 -15,-3.0 -2,-0.5 2,-0.3 -0.872 8.8 153.4-113.4 142.0 -23.0 15.1 -1.2 114 118 A A E - D 0 97A 0 -42,-1.5 -17,-0.2 -2,-0.4 -24,-0.1 -0.956 49.4-118.3-154.9 169.6 -23.1 11.3 -1.2 115 119 A N S S+ 0 0 48 -19,-0.6 2,-0.3 -22,-0.5 -40,-0.2 0.743 99.2 32.9 -81.4 -27.9 -25.4 8.3 -1.2 116 120 A S S > S- 0 0 30 -20,-0.4 4,-1.6 -23,-0.2 5,-0.1 -0.857 82.6-114.3-126.9 164.0 -23.9 7.0 2.1 117 121 A D H > S+ 0 0 46 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.894 117.8 53.9 -65.7 -36.6 -22.5 8.6 5.3 118 122 A V H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.871 104.5 55.6 -66.7 -32.9 -19.1 7.1 4.6 119 123 A G H > S+ 0 0 0 -25,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.899 106.9 50.9 -62.5 -37.0 -19.2 8.8 1.1 120 124 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.910 109.5 50.0 -64.0 -40.6 -19.8 12.0 3.0 121 125 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.941 112.6 46.2 -64.2 -49.6 -16.8 11.3 5.2 122 126 A Y H X S+ 0 0 8 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.919 113.9 48.5 -59.0 -43.6 -14.6 10.6 2.1 123 127 A G H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.854 107.6 55.8 -65.0 -35.9 -15.8 13.7 0.3 124 128 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.902 107.7 48.7 -62.5 -44.6 -15.2 15.8 3.5 125 129 A F H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.918 111.3 49.6 -62.9 -38.0 -11.6 14.7 3.5 126 130 A H H X S+ 0 0 23 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.931 108.4 54.0 -67.1 -40.6 -11.3 15.5 -0.3 127 131 A L H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.938 111.2 44.9 -56.9 -46.0 -12.8 18.9 0.4 128 132 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.923 110.1 55.5 -64.2 -43.1 -10.2 19.6 3.1 129 133 A R H X S+ 0 0 14 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.876 102.0 56.7 -57.5 -39.1 -7.5 18.2 0.7 130 134 A L H <>S+ 0 0 14 -4,-2.6 5,-3.4 2,-0.2 -1,-0.2 0.912 113.4 40.9 -57.8 -42.3 -8.5 20.8 -2.0 131 135 A I H ><5S+ 0 0 0 -4,-1.4 3,-2.2 -3,-0.2 -2,-0.2 0.941 112.5 53.4 -70.1 -47.9 -7.9 23.6 0.6 132 136 A Q H 3<5S+ 0 0 7 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.812 112.8 45.4 -56.2 -32.4 -4.7 22.0 2.0 133 137 A T T 3<5S- 0 0 4 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.145 116.8-114.1 -97.6 13.4 -3.3 21.8 -1.6 134 138 A Q T < 5 + 0 0 46 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.838 58.0 159.3 59.5 40.8 -4.4 25.4 -2.4 135 139 A H < - 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