==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-SEP-07 2VCE . COMPND 2 MOLECULE: HYDROQUINONE GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR M.BRAZIER-HICKS,W.A.OFFEN,M.C.GERSHATER,T.J.REVETT,E.K.LIM, . 461 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 25 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 3 1 1 0 3 0 2 2 0 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 3 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 6 A T 0 0 100 0, 0.0 30,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 144.6 -3.5 41.4 50.9 2 7 A P - 0 0 5 0, 0.0 30,-2.3 0, 0.0 2,-0.5 -0.295 360.0-147.7 -59.3 141.9 -0.2 39.9 49.8 3 8 A H E -a 32 0A 9 102,-0.3 104,-3.1 28,-0.2 105,-1.0 -0.948 11.1-160.0-105.6 121.5 1.6 41.7 47.0 4 9 A V E -ab 33 108A 0 28,-3.0 30,-2.4 -2,-0.5 2,-0.4 -0.933 3.1-153.9-108.9 129.8 3.6 39.4 44.8 5 10 A A E -ab 34 109A 0 103,-2.5 105,-3.1 -2,-0.5 2,-0.5 -0.865 9.4-162.3 -99.6 130.3 6.5 40.8 42.6 6 11 A I E -ab 35 110A 0 28,-2.6 30,-3.0 -2,-0.4 105,-0.2 -0.983 7.8-173.1-119.6 125.2 7.2 38.9 39.4 7 12 A I E - b 0 111A 5 103,-2.8 105,-0.8 -2,-0.5 30,-0.1 -0.872 12.7-166.2-119.4 89.5 10.6 39.4 37.7 8 13 A P - 0 0 8 0, 0.0 30,-0.6 0, 0.0 3,-0.1 -0.440 18.6-127.7 -75.0 155.4 10.7 37.5 34.3 9 14 A S - 0 0 1 1,-0.1 5,-0.2 -2,-0.1 6,-0.2 -0.771 52.5 -74.6 -91.2 149.0 13.8 36.9 32.3 10 15 A P S S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.075 88.2 87.4 -49.1 140.5 13.4 38.0 28.7 11 16 A G S >> S- 0 0 14 296,-0.1 4,-2.2 1,-0.1 3,-1.5 -0.138 70.7-122.0 138.1 131.4 11.3 35.8 26.3 12 17 A M H 3> S+ 0 0 21 294,-0.4 4,-2.6 1,-0.3 -1,-0.1 0.834 112.2 65.1 -61.7 -29.5 7.7 35.6 25.4 13 18 A G H 34 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.2 343,-0.1 0.622 109.7 38.4 -68.1 -16.7 7.8 31.9 26.6 14 19 A H H <> S+ 0 0 22 -3,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.798 116.0 49.0 -97.9 -42.5 8.4 33.2 30.1 15 20 A L H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.909 106.6 56.1 -66.5 -41.1 6.2 36.3 30.1 16 21 A I H X S+ 0 0 36 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.934 111.1 40.0 -61.0 -53.7 3.1 34.5 28.8 17 22 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.863 113.8 56.6 -65.1 -30.5 2.8 31.7 31.4 18 23 A L H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.857 105.8 50.5 -65.3 -34.5 3.7 34.3 34.1 19 24 A V H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.917 111.1 47.8 -69.2 -41.0 0.8 36.4 33.0 20 25 A E H X S+ 0 0 31 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.904 112.0 50.9 -62.7 -40.7 -1.6 33.4 33.3 21 26 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.923 110.3 49.4 -62.1 -48.3 -0.0 32.7 36.7 22 27 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.899 107.4 53.4 -57.7 -41.0 -0.6 36.2 37.8 23 28 A K H X S+ 0 0 66 -4,-2.3 4,-3.1 2,-0.2 5,-0.4 0.923 109.3 49.4 -63.3 -45.5 -4.3 36.2 36.6 24 29 A R H X>S+ 0 0 71 -4,-2.1 4,-2.7 1,-0.2 5,-0.8 0.929 109.7 52.5 -57.6 -44.6 -4.9 33.0 38.7 25 30 A L H X5S+ 0 0 0 -4,-2.2 6,-2.0 3,-0.2 4,-0.8 0.912 117.2 37.0 -58.8 -42.4 -3.3 34.7 41.8 26 31 A V H X5S+ 0 0 13 -4,-2.4 4,-0.9 4,-0.2 -2,-0.2 0.932 125.2 37.7 -79.9 -42.2 -5.5 37.8 41.5 27 32 A H H <5S+ 0 0 118 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.873 128.6 29.3 -77.0 -38.3 -8.7 36.1 40.4 28 33 A L H <5S+ 0 0 93 -4,-2.7 -3,-0.2 -5,-0.4 -1,-0.1 0.756 133.7 27.2 -95.1 -23.7 -8.6 32.9 42.5 29 34 A H H < - 0 0 42 -3,-0.1 4,-2.2 263,-0.0 5,-0.1 -0.513 17.7 -99.6 -74.3 161.1 8.3 45.2 22.6 45 50 A K H > S+ 0 0 55 2,-0.2 4,-1.7 3,-0.2 3,-0.1 0.763 119.2 38.9 76.2-126.8 5.6 45.1 20.9 46 51 A A H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.802 110.4 62.2 -60.9 -33.8 4.2 41.8 22.2 47 52 A Q H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.960 105.4 44.4 -58.6 -56.0 5.4 42.5 25.8 48 53 A R H < S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.888 114.9 50.6 -55.6 -41.7 3.2 45.6 26.2 49 54 A T H >< S+ 0 0 91 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.941 108.3 48.8 -67.1 -44.6 0.2 43.8 24.6 50 55 A V H 3< S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 115.2 47.3 -61.4 -32.1 0.4 40.6 26.8 51 56 A L T 3< S+ 0 0 15 -4,-1.8 3,-0.4 -5,-0.2 2,-0.3 0.347 99.3 96.5 -88.5 3.9 0.6 42.9 29.8 52 57 A D S < S+ 0 0 104 -3,-1.6 -3,-0.0 1,-0.2 -4,-0.0 -0.691 78.2 22.8 -94.6 149.8 -2.3 45.0 28.5 53 58 A S S S+ 0 0 129 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.755 85.6 145.5 71.9 27.1 -6.0 44.6 29.5 54 59 A L - 0 0 30 -3,-0.4 -1,-0.2 1,-0.1 4,-0.1 -0.632 59.7 -85.6 -94.8 152.9 -5.2 43.0 32.8 55 60 A P > - 0 0 38 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.153 41.2-112.1 -49.9 153.5 -7.2 43.4 36.0 56 61 A S T 3 S+ 0 0 129 1,-0.3 -2,-0.0 -3,-0.1 -24,-0.0 0.677 114.6 76.8 -66.4 -16.8 -6.1 46.6 38.0 57 62 A S T 3 S+ 0 0 49 1,-0.1 -24,-2.6 -25,-0.1 2,-0.5 0.602 90.3 65.5 -62.4 -14.0 -4.9 44.1 40.6 58 63 A I E < +c 33 0A 14 -3,-2.1 2,-0.2 -26,-0.2 -24,-0.2 -0.953 66.9 177.2-115.5 114.7 -1.9 43.6 38.2 59 64 A S E -c 34 0A 58 -26,-2.4 -24,-2.8 -2,-0.5 2,-0.4 -0.718 15.7-144.4-108.4 167.8 0.5 46.4 37.5 60 65 A S E -c 35 0A 43 -2,-0.2 2,-0.5 -26,-0.2 -24,-0.2 -0.997 8.2-168.9-131.7 136.4 3.7 46.6 35.3 61 66 A V E -c 36 0A 48 -26,-2.8 -24,-2.9 -2,-0.4 2,-0.6 -0.998 12.6-153.1-118.9 122.1 6.9 48.5 35.9 62 67 A F E -c 37 0A 58 -2,-0.5 -24,-0.2 -26,-0.2 -26,-0.1 -0.887 16.5-141.8 -95.9 120.3 9.3 48.6 32.9 63 68 A L - 0 0 12 -26,-2.4 3,-0.1 -2,-0.6 29,-0.0 -0.372 30.6 -89.1 -71.8 158.5 12.9 49.0 34.1 64 69 A P - 0 0 65 0, 0.0 -25,-0.3 0, 0.0 -1,-0.1 -0.406 60.0 -95.7 -58.3 140.2 15.4 51.2 32.3 65 70 A P - 0 0 68 0, 0.0 -25,-0.2 0, 0.0 2,-0.2 -0.362 39.2-123.7 -62.5 140.0 17.1 48.9 29.7 66 71 A V - 0 0 18 -27,-2.7 2,-0.8 -25,-0.1 22,-0.1 -0.485 22.9-111.3 -81.2 158.2 20.4 47.4 30.9 67 72 A D + 0 0 103 -2,-0.2 3,-0.2 20,-0.1 -26,-0.1 -0.805 46.1 156.0 -96.7 108.7 23.6 47.9 28.9 68 73 A L > + 0 0 4 -2,-0.8 3,-1.9 -28,-0.3 -1,-0.1 0.063 38.8 114.6-113.1 21.2 24.8 44.6 27.2 69 74 A T T 3 + 0 0 124 1,-0.3 -1,-0.1 -29,-0.1 4,-0.1 0.615 66.3 69.7 -68.9 -10.6 26.7 46.4 24.5 70 75 A D T 3 S+ 0 0 106 -3,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.527 85.1 92.5 -77.3 -8.7 29.9 44.9 26.0 71 76 A L S < S- 0 0 34 -3,-1.9 -3,-0.0 1,-0.1 9,-0.0 -0.604 85.2-103.1 -89.9 147.9 28.9 41.4 24.9 72 77 A S > - 0 0 75 -2,-0.2 3,-1.4 1,-0.1 -1,-0.1 -0.297 25.5-126.1 -55.5 147.9 29.8 39.5 21.6 73 78 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.0 0.731 113.3 62.5 -70.8 -18.5 27.0 39.5 19.1 74 79 A S T 3 S+ 0 0 102 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.352 74.9 131.6 -82.7 4.7 27.6 35.7 19.1 75 80 A T < - 0 0 34 -3,-1.4 2,-0.1 1,-0.1 -4,-0.0 -0.308 64.3-111.5 -57.2 136.0 26.6 35.5 22.9 76 81 A R >> - 0 0 62 1,-0.1 4,-2.2 104,-0.0 3,-0.5 -0.386 21.4-115.3 -73.3 154.4 24.1 32.7 23.5 77 82 A I H 3> S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.864 113.1 57.2 -57.9 -38.9 20.5 33.6 24.4 78 83 A E H 3> S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.863 108.1 47.4 -66.1 -35.1 20.7 32.1 27.9 79 84 A S H <> S+ 0 0 2 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.948 112.5 50.0 -63.4 -50.8 23.7 34.3 28.8 80 85 A R H X S+ 0 0 38 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.927 114.3 43.3 -57.1 -46.3 21.9 37.3 27.5 81 86 A I H X S+ 0 0 2 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.883 114.2 48.0 -75.6 -35.3 18.7 36.7 29.4 82 87 A S H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 3,-0.3 0.938 113.3 48.9 -63.8 -49.4 20.4 35.7 32.7 83 88 A L H X S+ 0 0 17 -4,-2.6 4,-3.2 -5,-0.2 -2,-0.2 0.811 102.9 61.9 -61.3 -31.0 22.6 38.8 32.6 84 89 A T H < S+ 0 0 0 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.913 111.0 39.1 -62.1 -43.3 19.7 41.0 31.8 85 90 A V H >< S+ 0 0 2 -4,-1.3 3,-1.4 -3,-0.3 4,-0.4 0.964 116.2 51.3 -68.3 -55.6 18.2 40.0 35.2 86 91 A T H >< S+ 0 0 34 -4,-2.9 3,-1.4 1,-0.3 -2,-0.2 0.916 112.7 45.0 -46.6 -52.7 21.6 40.1 37.0 87 92 A R T 3< S+ 0 0 87 -4,-3.2 -1,-0.3 1,-0.3 4,-0.2 0.544 104.9 63.6 -73.2 -11.3 22.5 43.6 35.7 88 93 A S T <> S+ 0 0 3 -3,-1.4 4,-2.7 -4,-0.5 3,-0.3 0.434 72.0 99.3 -87.6 -4.5 19.0 44.9 36.5 89 94 A N H <> S+ 0 0 7 -3,-1.4 4,-2.6 -4,-0.4 5,-0.2 0.879 78.3 55.0 -51.7 -45.4 19.4 44.4 40.2 90 95 A P H > S+ 0 0 75 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.925 113.4 41.5 -53.5 -44.9 20.3 48.0 40.9 91 96 A E H > S+ 0 0 54 -3,-0.3 4,-1.7 -4,-0.2 -2,-0.2 0.855 111.8 55.6 -68.7 -35.6 17.1 49.2 39.2 92 97 A L H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.883 103.5 55.7 -63.5 -41.5 15.1 46.4 40.9 93 98 A R H X S+ 0 0 73 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.865 105.3 52.4 -55.5 -40.9 16.3 47.6 44.3 94 99 A K H X S+ 0 0 130 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.890 108.3 51.0 -64.7 -39.4 14.9 51.1 43.5 95 100 A V H X S+ 0 0 14 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.909 108.7 50.4 -63.7 -41.8 11.6 49.5 42.7 96 101 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.884 106.6 56.2 -67.7 -34.1 11.6 47.7 46.0 97 102 A D H X S+ 0 0 82 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.924 107.6 48.4 -59.8 -44.6 12.4 51.0 47.8 98 103 A S H X S+ 0 0 39 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.910 108.8 53.3 -62.7 -39.3 9.2 52.4 46.2 99 104 A F H <>S+ 0 0 3 -4,-2.2 5,-3.2 2,-0.2 6,-0.3 0.891 108.8 49.8 -57.7 -44.3 7.2 49.4 47.3 100 105 A V H ><5S+ 0 0 77 -4,-2.2 3,-1.7 4,-0.2 5,-0.2 0.944 112.0 48.4 -59.3 -49.0 8.5 50.0 50.9 101 106 A E H 3<5S+ 0 0 164 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.873 109.6 52.4 -58.7 -39.9 7.4 53.7 50.7 102 107 A G T 3<5S- 0 0 42 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.334 115.8-114.7 -81.3 10.6 4.0 52.7 49.3 103 108 A G T < 5S+ 0 0 60 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.767 89.5 110.1 62.4 26.9 3.4 50.3 52.2 104 109 A R < + 0 0 106 -5,-3.2 -4,-0.2 -6,-0.2 3,-0.1 -0.136 36.7 166.3-126.7 36.1 3.5 47.4 49.7 105 110 A L - 0 0 44 -6,-0.3 -102,-0.3 -5,-0.2 -9,-0.1 -0.320 49.0-105.6 -47.1 125.9 6.7 45.4 50.4 106 111 A P - 0 0 3 0, 0.0 -102,-0.2 0, 0.0 3,-0.1 -0.282 15.0-145.3 -60.4 148.5 6.1 42.2 48.4 107 112 A T S S+ 0 0 3 -104,-3.1 2,-0.3 1,-0.3 -103,-0.2 0.716 87.3 10.3 -79.4 -23.4 5.3 39.0 50.3 108 113 A A E -b 4 0A 0 -105,-1.0 -103,-2.5 19,-0.1 2,-0.5 -0.990 60.8-144.9-152.3 152.1 7.2 37.1 47.6 109 114 A L E -bd 5 129A 0 19,-2.2 21,-2.9 -2,-0.3 2,-0.6 -0.993 23.0-162.1-114.6 118.0 9.6 37.8 44.7 110 115 A V E +bd 6 130A 2 -105,-3.1 -103,-2.8 -2,-0.5 21,-0.2 -0.911 12.7 176.1-106.9 117.3 8.9 35.2 41.9 111 116 A V E -bd 7 131A 0 19,-2.6 21,-3.2 -2,-0.6 2,-0.2 -0.662 24.1-121.3-104.6 171.8 11.7 34.9 39.4 112 117 A D > - 0 0 0 -105,-0.8 3,-2.1 -2,-0.2 21,-0.2 -0.445 47.7 -70.4-105.1-169.7 11.8 32.4 36.4 113 118 A L T 3 S+ 0 0 10 19,-0.5 3,-0.2 1,-0.3 20,-0.1 0.655 131.0 34.0 -61.2 -23.8 14.4 29.7 35.6 114 119 A F T 3 S+ 0 0 13 1,-0.1 -1,-0.3 2,-0.1 3,-0.3 0.264 101.6 77.2-112.3 11.3 17.2 32.2 34.6 115 120 A G X + 0 0 0 -3,-2.1 3,-1.7 1,-0.2 4,-0.2 0.081 47.9 122.9-110.3 25.1 16.5 35.1 37.0 116 121 A T G > + 0 0 0 1,-0.3 3,-2.1 -3,-0.2 4,-0.2 0.717 61.5 73.3 -63.3 -19.7 17.9 33.7 40.4 117 122 A D G > S+ 0 0 11 1,-0.3 3,-1.9 -3,-0.3 4,-0.3 0.763 82.2 72.6 -66.6 -21.7 20.4 36.7 40.8 118 123 A A G X> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.3 3,-0.8 0.659 76.5 80.4 -59.2 -18.7 17.3 38.7 41.7 119 124 A F H <> S+ 0 0 0 -3,-2.1 4,-3.0 1,-0.2 -1,-0.3 0.743 79.4 67.7 -57.5 -24.6 17.3 36.7 44.9 120 125 A D H <> S+ 0 0 57 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.895 103.6 43.0 -60.7 -43.3 20.0 39.2 46.0 121 126 A V H <> S+ 0 0 0 -3,-0.8 4,-2.0 -4,-0.3 -2,-0.2 0.913 112.8 51.9 -70.7 -43.7 17.3 41.9 46.1 122 127 A A H <>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 4,-0.4 0.948 112.1 46.7 -55.0 -49.8 14.7 39.6 47.8 123 128 A V H ><5S+ 0 0 89 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.944 109.4 52.9 -61.4 -49.7 17.3 38.7 50.5 124 129 A E H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 115.9 41.5 -48.2 -40.9 18.3 42.4 51.1 125 130 A F T 3<5S- 0 0 33 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.340 111.7-117.6 -94.6 8.1 14.5 43.3 51.6 126 131 A H T < 5 + 0 0 161 -3,-1.6 -3,-0.2 -4,-0.4 -4,-0.1 0.845 64.9 147.4 57.2 41.5 13.6 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20,-2.4 -2,-0.3 2,-0.8 -0.925 1.8-162.3-142.6 110.3 0.3 20.4 15.7 350 362 A L E +ik 264 369C 0 -87,-3.1 -85,-2.2 -2,-0.4 2,-0.3 -0.840 37.7 173.0 -87.0 110.6 3.8 20.3 14.3 351 363 A T E -ik 265 370C 0 18,-2.3 20,-2.8 -2,-0.8 -85,-0.2 -0.846 51.2-129.7-124.7 156.8 5.7 22.1 17.1 352 364 A H - 0 0 10 -87,-0.8 21,-0.6 -2,-0.3 22,-0.2 0.464 59.5-112.0 -78.9 -2.0 9.2 22.9 18.2 353 365 A C + 0 0 0 1,-0.2 27,-0.1 16,-0.1 -87,-0.1 0.676 55.5 167.3 78.5 16.3 8.2 21.5 21.7 354 366 A G > - 0 0 10 1,-0.1 4,-2.2 26,-0.0 -1,-0.2 -0.368 44.1-122.7 -48.3 140.9 8.3 24.8 23.5 355 367 A W H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 107.4 52.9 -74.5 -32.2 6.5 24.0 26.7 356 368 A N H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 111.6 47.0 -64.3 -42.3 3.7 26.7 26.4 357 369 A S H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 112.2 51.9 -62.4 -41.8 2.8 25.4 22.9 358 370 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.948 111.6 45.2 -61.5 -46.4 2.9 21.8 24.4 359 371 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.883 111.2 52.6 -65.1 -42.8 0.5 22.7 27.2 360 372 A E H X S+ 0 0 21 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.907 111.3 47.8 -55.8 -43.4 -1.8 24.7 24.9 361 373 A S H X>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 4,-0.6 0.922 111.3 50.3 -66.4 -42.9 -2.0 21.6 22.7 362 374 A V H ><5S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.942 107.4 53.6 -55.5 -48.3 -2.6 19.3 25.7 363 375 A V H 3<5S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.802 116.3 39.6 -62.5 -30.8 -5.4 21.5 26.9 364 376 A S H 3<5S- 0 0 25 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.398 111.1-120.4 -99.1 1.3 -7.1 21.3 23.5 365 377 A G T <<5 + 0 0 14 -3,-1.3 -3,-0.2 -4,-0.6 63,-0.1 0.773 56.3 156.5 69.3 28.1 -6.3 17.6 23.0 366 378 A I < - 0 0 13 -5,-2.7 -1,-0.2 -6,-0.2 -18,-0.2 -0.788 37.7-133.4 -93.6 117.1 -4.2 18.2 19.8 367 379 A P - 0 0 0 0, 0.0 -18,-1.9 0, 0.0 2,-0.3 -0.242 27.0-135.5 -68.9 155.9 -1.6 15.5 19.0 368 380 A L E -kl 349 391C 0 22,-1.8 24,-2.5 -20,-0.2 2,-0.5 -0.796 21.4-146.8-118.0 152.3 1.9 16.6 18.1 369 381 A I E -kl 350 392C 0 -20,-2.4 -18,-2.3 -2,-0.3 2,-0.7 -0.993 36.4-135.4-104.4 123.8 4.7 16.1 15.7 370 382 A A E +k 351 0C 1 22,-3.7 -18,-0.2 -2,-0.5 -20,-0.1 -0.684 35.6 163.9 -85.9 110.4 7.8 16.8 17.9 371 383 A W - 0 0 14 -20,-2.8 7,-0.1 -2,-0.7 -1,-0.1 -0.608 18.9-167.2-126.1 73.8 10.2 19.0 15.9 372 384 A P + 0 0 38 0, 0.0 -19,-0.1 0, 0.0 3,-0.1 -0.245 16.0 169.7 -69.1 148.1 12.7 20.4 18.5 373 385 A L - 0 0 31 -21,-0.6 2,-0.2 1,-0.4 -71,-0.2 0.718 53.0 -22.1-123.6 -46.1 15.0 23.2 17.6 374 386 A Y S > S+ 0 0 12 -22,-0.2 3,-2.4 -72,-0.1 -1,-0.4 -0.786 98.6 35.7-153.1-169.6 16.9 24.8 20.5 375 387 A A T 3 S- 0 0 18 1,-0.3 -196,-2.6 -2,-0.2 3,-0.3 -0.209 124.3 -29.5 52.4-137.4 16.9 25.3 24.3 376 388 A E T 3> S+ 0 0 28 -198,-0.3 4,-2.2 1,-0.2 3,-0.3 0.163 104.5 115.2 -91.6 17.4 15.5 22.2 26.1 377 389 A Q H <> S+ 0 0 6 -3,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.859 72.3 53.5 -62.9 -38.1 13.2 21.2 23.2 378 390 A K H > S+ 0 0 92 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.3 0.908 108.0 50.3 -61.7 -44.2 15.0 18.0 22.4 379 391 A M H > S+ 0 0 11 -3,-0.3 4,-2.3 -203,-0.3 -2,-0.2 0.940 112.7 47.9 -55.1 -47.7 14.6 16.9 26.0 380 392 A N H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.873 109.3 53.4 -59.1 -41.8 10.9 17.7 25.7 381 393 A A H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.878 108.4 48.4 -62.2 -42.1 10.6 15.8 22.4 382 394 A V H X>S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 5,-0.6 0.927 114.7 47.3 -65.5 -45.8 12.1 12.7 24.0 383 395 A L H X>S+ 0 0 2 -4,-2.3 5,-2.9 -5,-0.2 4,-1.4 0.949 114.9 45.1 -56.0 -48.7 9.6 13.1 26.9 384 396 A L H <>S+ 0 0 0 -4,-3.0 6,-2.2 4,-0.2 7,-1.1 0.885 122.8 35.0 -69.1 -36.9 6.7 13.6 24.6 385 397 A S H <5S+ 0 0 16 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.834 128.2 28.3 -87.0 -33.4 7.5 10.8 22.2 386 398 A E H <5S+ 0 0 85 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.673 133.1 20.3-106.2 -20.9 9.0 8.1 24.4 387 399 A D T < - 0 0 13 4,-3.0 3,-2.8 -2,-0.4 -1,-0.1 -0.067 38.3 -92.2 -60.0 169.4 18.9 11.8 8.0 398 410 A D T 3 S+ 0 0 182 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.849 130.5 58.0 -60.5 -30.5 22.5 11.3 9.2 399 411 A D T 3 S- 0 0 107 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.407 121.7-109.4 -74.6 2.3 23.2 14.9 8.0 400 412 A G S < S+ 0 0 50 -3,-2.8 2,-0.4 1,-0.3 -2,-0.1 0.384 76.4 130.9 86.5 -4.1 20.3 16.1 10.4 401 413 A L - 0 0 29 -5,-0.1 -4,-3.0 -122,-0.0 2,-0.7 -0.702 51.4-146.7 -86.8 133.6 17.9 17.0 7.5 402 414 A V - 0 0 8 -2,-0.4 -6,-0.2 -6,-0.3 2,-0.1 -0.884 29.2-145.4 -94.5 110.1 14.3 15.8 7.7 403 415 A R >> - 0 0 100 -2,-0.7 4,-2.4 -8,-0.4 3,-0.6 -0.330 22.0-103.2 -83.1 163.7 13.5 15.2 4.0 404 416 A R H 3> S+ 0 0 77 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.832 118.5 57.8 -57.2 -37.4 10.2 15.8 2.2 405 417 A E H 3> S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.936 110.7 43.0 -58.7 -43.3 9.4 12.1 2.1 406 418 A E H <> S+ 0 0 18 -3,-0.6 4,-2.9 2,-0.2 5,-0.3 0.906 111.4 54.8 -71.7 -40.7 9.6 11.8 5.9 407 419 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.954 112.4 43.9 -54.1 -47.3 7.7 15.1 6.4 408 420 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.933 112.9 51.9 -71.5 -38.4 4.9 13.7 4.3 409 421 A R H X S+ 0 0 105 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.962 114.3 41.4 -56.1 -55.1 5.0 10.3 6.0 410 422 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.887 114.5 51.7 -67.2 -35.8 4.8 11.8 9.5 411 423 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.929 114.5 42.3 -66.1 -42.6 2.2 14.4 8.6 412 424 A K H X>S+ 0 0 78 -4,-2.5 4,-2.3 -5,-0.2 5,-1.8 0.912 112.6 55.2 -71.1 -40.8 -0.1 11.8 7.0 413 425 A G H <5S+ 0 0 9 -4,-2.8 7,-2.0 -5,-0.3 -2,-0.2 0.865 113.7 41.1 -53.9 -43.7 0.6 9.5 9.9 414 426 A L H <5S+ 0 0 1 -4,-2.4 -2,-0.2 5,-0.2 -1,-0.2 0.940 120.3 41.2 -66.0 -52.6 -0.5 12.1 12.4 415 427 A M H <5S- 0 0 21 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.685 141.2 -7.9 -78.3 -22.2 -3.5 13.4 10.5 416 428 A E T <5S+ 0 0 119 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.498 102.9 102.1-151.3 -17.9 -5.0 10.1 9.2 417 429 A G S > S+ 0 0 156 1,-0.2 3,-1.4 2,-0.2 4,-0.8 0.865 115.9 64.9 -52.9 -42.4 -2.7 4.3 12.4 419 431 A E H >> S+ 0 0 77 1,-0.3 4,-0.8 2,-0.2 3,-0.5 0.894 100.9 49.5 -47.3 -47.7 0.5 5.9 13.8 420 432 A G H 3> S+ 0 0 1 -7,-2.0 4,-2.0 -3,-0.4 -1,-0.3 0.551 93.7 75.3 -74.9 -10.9 -1.5 9.0 14.9 421 433 A K H <> S+ 0 0 97 -3,-1.4 4,-2.4 -4,-0.5 5,-0.2 0.911 93.7 50.6 -68.2 -45.7 -4.2 7.0 16.7 422 434 A G H < S+ 0 0 77 -4,-1.2 3,-1.1 -3,-0.3 4,-0.5 0.956 110.8 53.3 -65.4 -49.7 -9.4 19.8 33.3 436 448 A R H >< S+ 0 0 101 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.883 105.6 52.3 -51.5 -48.9 -9.3 17.6 36.4 437 449 A V H 3< S+ 0 0 0 -4,-2.4 8,-1.9 1,-0.3 7,-0.9 0.682 107.1 51.7 -71.9 -18.1 -6.2 19.1 37.9 438 450 A L T << S+ 0 0 39 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.379 83.6 111.7-101.7 2.3 -7.5 22.8 37.8 439 451 A K S X S- 0 0 125 -3,-1.3 3,-2.1 -4,-0.5 6,-0.3 -0.191 92.4 -89.6 -65.1 168.0 -10.8 22.1 39.5 440 452 A D T 3 S+ 0 0 153 1,-0.3 -1,-0.1 5,-0.1 -3,-0.0 0.811 131.4 25.9 -52.9 -32.1 -11.3 23.6 42.9 441 453 A D T 3 S+ 0 0 120 -5,-0.1 -1,-0.3 4,-0.1 2,-0.1 0.049 93.7 126.9-122.5 24.5 -9.9 20.4 44.5 442 454 A G S <> S- 0 0 7 -3,-2.1 4,-2.7 -7,-0.1 -5,-0.2 -0.453 73.6-109.0 -73.1 157.4 -7.7 19.3 41.5 443 455 A T H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -5,-0.1 0.818 116.9 49.1 -63.8 -36.7 -4.0 18.7 42.4 444 456 A S H > S+ 0 0 1 -7,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.894 112.9 47.0 -65.3 -43.5 -2.7 21.8 40.5 445 457 A T H > S+ 0 0 15 -8,-1.9 4,-3.0 -6,-0.3 -2,-0.2 0.919 111.7 52.2 -61.7 -44.9 -5.2 24.1 42.2 446 458 A K H X S+ 0 0 101 -4,-2.7 4,-2.3 -9,-0.3 -2,-0.2 0.914 110.3 48.5 -58.0 -41.1 -4.4 22.5 45.6 447 459 A A H X S+ 0 0 10 -4,-1.7 4,-1.7 -214,-0.3 -2,-0.2 0.938 114.2 44.2 -69.7 -43.9 -0.6 23.2 45.1 448 460 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 -215,-0.2 5,-0.2 0.915 112.1 54.2 -65.4 -40.6 -1.1 26.8 44.0 449 461 A S H X S+ 0 0 40 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.895 105.0 53.2 -58.0 -44.4 -3.6 27.3 46.9 450 462 A L H X S+ 0 0 101 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.896 111.3 46.7 -57.9 -44.6 -1.0 26.0 49.4 451 463 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.954 113.7 46.6 -63.4 -51.1 1.5 28.5 48.1 452 464 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.854 111.8 52.7 -59.0 -38.3 -1.0 31.4 48.2 453 465 A L H X S+ 0 0 112 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.925 108.2 50.3 -61.4 -43.7 -2.1 30.3 51.7 454 466 A K H X S+ 0 0 93 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.885 111.3 49.6 -59.4 -41.3 1.6 30.4 52.8 455 467 A W H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.938 110.3 49.3 -66.7 -47.7 1.9 33.9 51.4 456 468 A K H X S+ 0 0 86 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.871 112.5 48.0 -55.9 -39.4 -1.3 35.1 53.2 457 469 A A H X S+ 0 0 48 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.920 110.3 51.4 -73.2 -43.8 -0.1 33.7 56.4 458 470 A H H X S+ 0 0 71 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.909 112.7 46.1 -52.5 -48.2 3.4 35.3 56.0 459 471 A K H X S+ 0 0 23 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.933 111.4 53.0 -64.7 -43.9 1.7 38.7 55.3 460 472 A K H X S+ 0 0 110 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.939 110.5 45.8 -55.4 -52.8 -0.6 38.2 58.3 461 473 A E H < S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.778 113.9 50.3 -63.8 -30.1 2.3 37.5 60.7 462 474 A L H < S+ 0 0 100 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.918 111.3 45.0 -74.1 -45.3 4.2 40.5 59.4 463 475 A E H < 0 0 131 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.707 360.0 360.0 -75.3 -21.0 1.5 43.1 59.7 464 476 A Q < 0 0 161 -4,-1.4 -3,-0.1 -5,-0.3 -2,-0.1 0.787 360.0 360.0 -94.4 360.0 0.4 42.0 63.1