==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/PROTEIN BINDING 15-MAR-10 3M63 . COMPND 2 MOLECULE: UBIQUITIN CONJUGATION FACTOR E4; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.HAENZELMANN,H.SCHINDELIN . 1025 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 744 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 36 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 522 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 5 0 2 1 1 2 2 3 2 5 1 3 3 0 3 1 1 0 1 0 0 0 0 0 1 0 4 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 S 0 0 96 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.3 69.3 -19.1 -86.1 2 -4 A P > + 0 0 76 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.498 360.0 54.8-106.4 -17.1 66.8 -16.9 -84.1 3 -3 A E H > S+ 0 0 130 2,-0.2 4,-2.2 3,-0.1 5,-0.1 0.821 110.7 48.6 -74.5 -39.7 63.8 -19.0 -85.4 4 -2 A F H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.926 106.0 55.9 -57.8 -52.5 65.9 -21.8 -83.9 5 -1 A R H > S+ 0 0 140 -4,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.790 112.0 44.4 -55.9 -32.6 66.4 -19.9 -80.6 6 0 A S H >X S+ 0 0 13 -4,-0.9 4,-1.7 2,-0.2 3,-0.9 0.982 108.5 55.2 -72.9 -67.4 62.6 -19.5 -80.3 7 1 A M H 3X S+ 0 0 24 -4,-2.2 4,-1.5 1,-0.2 3,-0.2 0.792 111.8 43.7 -26.5 -56.9 61.7 -23.1 -81.2 8 2 A T H 3X S+ 0 0 52 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.836 104.6 61.6 -73.3 -32.9 64.0 -24.6 -78.5 9 3 A A H S+ 0 0 45 -4,-1.5 4,-1.8 1,-0.2 5,-1.1 0.948 113.3 41.7 -48.3 -57.1 60.9 -27.2 -75.9 12 6 A D H <5S+ 0 0 58 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.809 117.6 46.1 -61.8 -37.5 62.5 -26.3 -72.5 13 7 A I H <5S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.926 124.9 29.8 -78.5 -43.4 59.5 -24.3 -71.3 14 8 A L H <5S- 0 0 0 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.625 100.3-131.9 -87.1 -9.7 56.8 -26.8 -72.2 15 9 A Q T <5 + 0 0 68 -4,-1.8 12,-1.4 -5,-0.4 2,-0.3 0.983 65.1 119.5 49.4 64.3 59.1 -29.9 -71.8 16 10 A I E < -a 27 0A 2 -5,-1.1 2,-0.3 10,-0.2 -1,-0.2 -0.978 38.9-175.7-156.5 139.3 58.1 -31.3 -75.2 17 11 A T E -a 28 0A 25 10,-1.5 12,-2.2 -2,-0.3 -9,-0.0 -0.862 14.9-150.3-133.3 168.3 59.8 -32.3 -78.5 18 12 A T S S+ 0 0 21 -2,-0.3 -1,-0.1 10,-0.2 20,-0.1 0.837 89.5 10.8-107.1 -48.0 58.7 -33.6 -81.9 19 13 A D S S+ 0 0 91 1,-0.1 2,-0.3 9,-0.1 9,-0.1 0.608 100.0 132.9-106.5 -13.6 61.2 -35.7 -83.7 20 14 A P + 0 0 29 0, 0.0 2,-2.2 0, 0.0 -1,-0.1 -0.753 29.2 165.9-159.7 16.9 63.0 -35.8 -80.8 21 15 A S + 0 0 87 -2,-0.3 2,-0.2 2,-0.1 7,-0.0 -0.322 53.0 36.2 -84.4 70.0 64.5 -38.9 -79.4 22 16 A D S S+ 0 0 135 -2,-2.2 2,-0.6 2,-0.2 4,-0.1 -0.711 75.1 36.5 168.5 148.5 67.1 -38.1 -76.7 23 17 A T S S+ 0 0 124 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.634 89.9 38.7 117.9 -65.0 68.6 -36.1 -73.8 24 18 A R S S- 0 0 190 -2,-0.6 2,-1.5 1,-0.0 -2,-0.2 -0.893 87.6 -95.1-125.4 158.1 66.1 -34.6 -71.3 25 19 A G S S+ 0 0 82 -2,-0.3 -2,-0.0 -9,-0.0 -1,-0.0 0.286 74.4 136.1 -53.4 10.6 62.9 -36.0 -69.7 26 20 A Y - 0 0 50 -2,-1.5 2,-0.4 1,-0.1 -10,-0.2 -0.056 55.7-113.1 -66.5 159.3 60.6 -34.3 -72.2 27 21 A S E -a 16 0A 24 -12,-1.4 -10,-1.5 1,-0.0 2,-0.3 -0.797 22.9-123.4-101.0 134.6 57.7 -36.1 -73.8 28 22 A L E -a 17 0A 91 -2,-0.4 2,-0.4 -12,-0.2 -10,-0.2 -0.572 29.6-114.3 -75.2 131.4 57.6 -36.9 -77.5 29 23 A L - 0 0 8 -12,-2.2 2,-0.4 -2,-0.3 -1,-0.1 -0.546 38.2-126.9 -66.9 123.0 54.5 -35.5 -79.4 30 24 A K - 0 0 153 -2,-0.4 3,-0.0 1,-0.1 6,-0.0 -0.977 51.4 -51.9-123.4 133.6 52.3 -38.4 -80.6 31 25 A S S S+ 0 0 75 -2,-0.4 -1,-0.1 -13,-0.1 -2,-0.1 -0.842 72.3 139.2-128.0 26.4 51.5 -38.7 -83.3 32 26 A E - 0 0 54 1,-0.1 -1,-0.0 3,-0.1 -3,-0.0 -0.055 36.3-151.6 -51.7 125.9 49.9 -35.7 -85.0 33 27 A E S > S+ 0 0 167 1,-0.2 3,-1.6 2,-0.1 -1,-0.1 0.910 93.1 50.7 -67.3 -49.4 51.1 -35.2 -88.6 34 28 A V G > S+ 0 0 110 1,-0.3 3,-0.7 2,-0.1 2,-0.5 0.956 112.6 48.2 -56.0 -53.1 50.6 -31.5 -88.9 35 29 A P G 3 S+ 0 0 8 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.157 89.7 84.9 -82.3 43.0 52.6 -31.0 -85.6 36 30 A Q G < + 0 0 76 -3,-1.6 2,-0.5 -2,-0.5 -2,-0.1 -0.061 60.8 125.3-117.1 24.3 55.3 -33.3 -86.9 37 31 A G < - 0 0 33 -3,-0.7 -18,-0.1 1,-0.1 -3,-0.0 -0.736 60.8-142.1 -80.8 125.5 56.9 -30.3 -88.6 38 32 A S S S+ 0 0 90 -2,-0.5 2,-0.1 -20,-0.1 -1,-0.1 -0.009 84.7 71.7 -87.4 29.8 60.5 -29.9 -87.6 39 33 A T + 0 0 78 2,-0.0 2,-0.3 -32,-0.0 -35,-0.0 0.152 68.8 177.5 -93.2-128.4 60.3 -26.2 -87.5 40 34 A L + 0 0 26 -2,-0.1 2,-0.2 -30,-0.0 -33,-0.2 -0.833 10.1 134.1 149.0-176.0 58.3 -24.9 -84.6 41 35 A G >> - 0 0 9 -2,-0.3 3,-2.7 -34,-0.2 4,-0.5 -0.740 62.2 -27.2 130.8-177.2 57.4 -21.5 -83.2 42 36 A V T 34 S+ 0 0 42 1,-0.3 3,-0.4 -2,-0.2 4,-0.3 0.588 123.0 48.6 -50.9 -31.2 54.8 -19.3 -81.8 43 37 A D T 34 S+ 0 0 130 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.412 101.7 60.9 -97.5 4.7 51.7 -20.7 -83.5 44 38 A F T <> S+ 0 0 62 -3,-2.7 4,-2.5 2,-0.1 -1,-0.2 0.533 83.8 85.5 -94.6 -7.6 52.3 -24.4 -82.7 45 39 A I H X S+ 0 0 0 -4,-0.5 4,-2.3 -3,-0.4 5,-0.3 0.872 84.3 53.4 -64.9 -42.0 52.1 -23.6 -79.0 46 40 A D H > S+ 0 0 21 -4,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.966 112.8 45.8 -51.6 -52.3 48.3 -23.9 -78.8 47 41 A T H > S+ 0 0 48 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.862 109.7 52.5 -63.7 -41.8 48.6 -27.3 -80.4 48 42 A L H X S+ 0 0 6 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.953 116.2 40.9 -58.3 -52.0 51.5 -28.5 -78.1 49 43 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.898 111.3 56.2 -60.6 -42.7 49.5 -27.6 -75.0 50 44 A L H X>S+ 0 0 8 -4,-3.0 4,-2.2 -5,-0.3 5,-0.6 0.933 113.6 41.1 -62.4 -42.4 46.3 -28.9 -76.5 51 45 A Y H X>S+ 0 0 18 -4,-2.8 4,-1.3 2,-0.2 5,-0.7 0.952 111.0 58.0 -60.5 -53.7 48.0 -32.2 -76.9 52 46 A Q H <5S+ 0 0 1 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.839 119.7 28.8 -45.6 -39.1 49.7 -31.9 -73.5 53 47 A L H <5S+ 0 0 3 -4,-2.5 62,-0.6 -5,-0.1 63,-0.3 0.711 132.1 25.2-102.4 -24.1 46.3 -31.6 -71.8 54 48 A T H <5S+ 0 0 13 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.716 122.1 44.3-118.3 -30.3 43.7 -33.5 -73.9 55 49 A E T < + 0 0 120 -3,-0.2 4,-1.7 1,-0.1 3,-0.5 -0.652 67.9 168.4-117.2 72.2 49.0 -33.8 -62.8 62 56 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.834 72.8 51.3 -61.5 -36.2 48.0 -31.4 -65.6 63 57 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.862 109.2 51.3 -72.1 -31.7 47.4 -28.3 -63.4 64 58 A E H > S+ 0 0 81 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.870 108.1 53.0 -65.7 -37.7 50.9 -28.7 -61.9 65 59 A Y H X S+ 0 0 24 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.951 108.4 49.9 -65.3 -47.7 52.3 -29.0 -65.4 66 60 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-0.2 0.958 111.2 49.5 -49.9 -52.6 50.6 -25.7 -66.3 67 61 A N H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.3 -2,-0.2 0.870 112.5 45.8 -61.6 -38.9 52.0 -24.0 -63.2 68 62 A D H X S+ 0 0 46 -4,-2.5 4,-2.1 2,-0.2 -1,-0.3 0.780 108.4 58.2 -72.6 -25.7 55.5 -25.2 -63.9 69 63 A C H X S+ 0 0 0 -4,-2.2 4,-1.7 -3,-0.2 -2,-0.2 0.912 108.9 45.7 -64.9 -39.3 55.1 -24.1 -67.4 70 64 A F H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.956 113.2 47.3 -71.3 -51.2 54.3 -20.6 -66.1 71 65 A R H X S+ 0 0 107 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.839 110.8 52.8 -57.5 -36.1 57.3 -20.6 -63.7 72 66 A R H X S+ 0 0 57 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.912 110.0 49.7 -65.3 -37.1 59.6 -21.8 -66.4 73 67 A N H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.928 109.6 49.4 -68.2 -42.1 58.3 -19.0 -68.5 74 68 A Q H X S+ 0 0 47 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.885 112.1 49.3 -65.2 -35.6 58.9 -16.3 -65.8 75 69 A Q H X S+ 0 0 96 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.853 108.8 51.4 -72.6 -34.6 62.4 -17.6 -65.2 76 70 A Q H X S+ 0 0 56 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.776 106.1 55.9 -77.2 -25.9 63.2 -17.6 -69.0 77 71 A K H X S+ 0 0 72 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.947 110.8 44.9 -62.0 -50.8 62.0 -14.0 -69.2 78 72 A R H X S+ 0 0 159 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.931 112.6 48.8 -60.4 -50.7 64.5 -13.0 -66.4 79 73 A I H < S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.848 117.3 45.7 -53.9 -35.0 67.5 -15.0 -67.9 80 74 A T H >< S+ 0 0 20 -4,-1.3 3,-3.2 1,-0.2 6,-0.3 0.902 92.9 75.0 -78.4 -48.4 66.7 -13.3 -71.2 81 75 A K H 3< S+ 0 0 150 -4,-2.8 5,-0.2 1,-0.3 -1,-0.2 0.770 105.1 38.9 -30.3 -46.4 66.2 -9.7 -70.1 82 76 A N T 3< S+ 0 0 145 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.1 0.155 100.2 97.4-100.5 15.9 70.0 -9.3 -69.7 83 77 A K S X S- 0 0 139 -3,-3.2 3,-1.4 1,-0.0 -3,-0.0 -0.733 89.5 -85.0-113.4 158.3 71.2 -11.2 -72.7 84 78 A P T 3 S+ 0 0 119 0, 0.0 -4,-0.0 0, 0.0 -1,-0.0 0.671 117.2 12.6 -18.0 -58.1 72.4 -10.4 -76.2 85 79 A N T >> + 0 0 85 1,-0.1 3,-0.9 2,-0.1 4,-0.6 -0.291 62.9 156.9-139.1 57.0 68.9 -10.3 -77.8 86 80 A A G X4 S+ 0 0 34 -3,-1.4 3,-1.0 -6,-0.3 4,-0.4 0.830 71.0 66.2 -39.1 -45.2 66.0 -10.3 -75.4 87 81 A E G >4 S+ 0 0 170 1,-0.2 3,-1.6 2,-0.2 4,-0.5 0.819 89.9 58.8 -60.1 -42.2 63.6 -8.7 -78.0 88 82 A S G <4 S+ 0 0 53 -3,-0.9 3,-0.2 1,-0.3 -1,-0.2 0.751 107.9 46.7 -63.6 -27.0 63.3 -11.6 -80.6 89 83 A L G XX S+ 0 0 18 -3,-1.0 4,-1.9 -4,-0.6 3,-1.0 0.525 86.1 94.4 -88.6 -5.1 62.0 -14.1 -78.1 90 84 A H H <> S+ 0 0 112 -3,-1.6 4,-2.6 -4,-0.4 -1,-0.2 0.880 81.4 53.8 -57.3 -44.6 59.5 -11.6 -76.6 91 85 A S H 3> S+ 0 0 73 -4,-0.5 4,-1.5 -3,-0.2 -1,-0.3 0.813 109.2 51.6 -53.6 -36.0 56.7 -12.9 -78.9 92 86 A T H <> S+ 0 0 1 -3,-1.0 4,-2.2 2,-0.2 5,-0.2 0.925 110.1 43.9 -74.0 -49.5 57.4 -16.4 -77.6 93 87 A F H X S+ 0 0 8 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.958 112.2 56.6 -60.0 -48.6 57.2 -15.7 -73.9 94 88 A Q H X S+ 0 0 110 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.880 109.1 45.8 -42.1 -48.5 54.1 -13.6 -74.6 95 89 A E H X S+ 0 0 31 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.842 111.1 49.0 -74.3 -38.4 52.4 -16.6 -76.2 96 90 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.908 113.4 50.1 -62.3 -43.0 53.3 -19.1 -73.6 97 91 A D H X S+ 0 0 20 -4,-2.8 4,-1.9 -5,-0.2 5,-0.3 0.958 109.5 50.7 -57.7 -53.0 52.0 -16.6 -71.0 98 92 A R H X S+ 0 0 72 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.895 120.5 33.6 -48.5 -49.4 48.7 -16.1 -73.0 99 93 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.801 111.2 56.1 -92.4 -33.3 48.0 -19.8 -73.2 100 94 A V H X S+ 0 0 0 -4,-3.0 4,-1.5 -5,-0.2 -3,-0.2 0.958 116.2 43.0 -60.8 -45.2 49.3 -21.3 -70.0 101 95 A I H X S+ 0 0 7 -4,-1.9 4,-2.3 -5,-0.4 3,-0.3 0.950 111.8 53.0 -62.6 -50.3 47.0 -18.8 -68.2 102 96 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.874 113.5 42.7 -53.6 -41.6 44.1 -19.4 -70.6 103 97 A Y H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 -1,-0.2 0.699 106.8 61.1 -83.9 -23.3 44.2 -23.1 -70.0 104 98 A G H X S+ 0 0 0 -4,-1.5 4,-1.4 -3,-0.3 -2,-0.2 0.903 107.9 45.4 -59.5 -46.3 44.7 -22.7 -66.3 105 99 A V H < S+ 0 0 1 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.962 115.6 47.1 -60.0 -50.8 41.3 -20.9 -66.3 106 100 A V H >X S+ 0 0 1 -4,-2.1 4,-1.9 897,-0.3 3,-1.8 0.936 108.3 54.0 -57.8 -50.3 39.9 -23.7 -68.5 107 101 A A H 3< S+ 0 0 2 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.818 112.7 46.4 -53.0 -32.8 41.4 -26.4 -66.3 108 102 A L T 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.4 48,-0.3 -0.180 114.6 45.7-104.6 39.7 39.6 -24.8 -63.3 109 103 A Q T <4 S+ 0 0 27 -3,-1.8 2,-0.4 1,-0.5 -2,-0.2 0.483 108.5 39.4-142.1 -39.3 36.2 -24.3 -65.0 110 104 A I >< - 0 0 17 -4,-1.9 3,-0.6 -5,-0.1 -1,-0.5 -0.977 68.0-143.1-125.4 135.4 35.1 -27.4 -66.7 111 105 A E T 3 S+ 0 0 91 -2,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.885 88.6 47.7 -66.5 -44.1 35.7 -30.9 -65.3 112 106 A N T 3 S+ 0 0 62 1,-0.2 -1,-0.2 915,-0.2 915,-0.1 0.477 75.4 105.6 -89.1 4.6 36.5 -33.1 -68.3 113 107 A F S < S+ 0 0 8 -3,-0.6 2,-0.2 -7,-0.2 -1,-0.2 0.894 86.0 33.1 -48.8 -62.7 39.1 -31.0 -70.2 114 108 A C S S- 0 0 3 -3,-0.3 -60,-0.2 -7,-0.1 -61,-0.1 -0.623 77.2-143.8 -85.9 152.3 42.1 -33.0 -69.2 115 109 A M S S+ 0 0 123 -62,-0.6 2,-0.4 -2,-0.2 -61,-0.1 0.237 82.6 74.6-108.2 17.9 41.5 -36.8 -68.9 116 110 A N S S- 0 0 38 -63,-0.3 -2,-0.1 -57,-0.1 -1,-0.1 -0.996 102.5 -14.0-119.6 126.8 43.9 -37.1 -66.0 117 111 A G - 0 0 36 -2,-0.4 2,-0.2 -56,-0.1 -3,-0.1 0.001 63.5-133.3 77.3 174.1 42.7 -35.8 -62.7 118 112 A A > - 0 0 23 -3,-0.1 4,-2.1 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397 A L H > S+ 0 0 4 -5,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.769 112.5 54.6 -70.2 -24.4 27.1 -22.0 -24.7 406 400 A T H X S+ 0 0 0 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.896 109.3 45.0 -77.7 -39.3 30.9 -22.2 -24.8 407 401 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.868 111.1 51.6 -75.2 -34.0 31.4 -21.0 -21.2 408 402 A S H X S+ 0 0 13 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.861 107.1 55.7 -72.5 -30.8 28.6 -23.1 -19.7 409 403 A F H < S+ 0 0 38 -4,-1.2 4,-0.4 2,-0.2 -1,-0.2 0.918 112.4 41.9 -61.4 -42.7 30.2 -26.1 -21.4 410 404 A E H >< S+ 0 0 5 -4,-1.4 3,-1.2 1,-0.2 4,-0.4 0.895 108.3 60.5 -75.0 -33.6 33.5 -25.3 -19.6 411 405 A E H >< S+ 0 0 110 -4,-2.5 3,-0.6 1,-0.3 4,-0.3 0.846 103.3 48.9 -61.7 -39.5 31.8 -24.5 -16.3 412 406 A K T 3X S+ 0 0 81 -4,-1.5 4,-1.6 1,-0.2 3,-0.4 0.535 88.9 88.1 -78.5 -6.4 30.3 -28.0 -15.9 413 407 A M H <> S+ 0 0 1 -3,-1.2 4,-2.6 -4,-0.4 -1,-0.2 0.812 74.2 62.9 -70.8 -34.4 33.5 -29.8 -16.6 414 408 A G H <> S+ 0 0 33 -3,-0.6 4,-1.7 -4,-0.4 -1,-0.2 0.911 111.0 42.3 -56.7 -40.9 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108.6 53.1 -65.6 -41.0 36.4 -45.4 -13.5 425 419 A E H < S+ 0 0 121 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.921 114.0 43.3 -59.3 -45.8 37.6 -46.1 -9.9 426 420 A K H >< S+ 0 0 119 -4,-2.1 3,-1.4 1,-0.2 4,-0.5 0.893 111.5 50.4 -71.5 -40.0 34.6 -48.4 -9.4 427 421 A V H >< S+ 0 0 6 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.875 104.0 63.1 -69.6 -24.5 34.8 -50.2 -12.7 428 422 A K T 3< S+ 0 0 132 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.690 94.7 61.8 -70.2 -11.2 38.4 -50.8 -11.9 429 423 A K T < S+ 0 0 148 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.684 77.5 109.6 -87.1 -17.0 37.4 -52.9 -8.8 430 424 A I < - 0 0 77 -3,-1.2 2,-0.7 -4,-0.5 -3,-0.0 -0.380 58.0-150.8 -69.3 135.9 35.5 -55.6 -10.8 431 425 A A - 0 0 87 -2,-0.1 2,-0.8 2,-0.0 -1,-0.1 -0.940 14.3-165.5-105.4 107.3 37.1 -59.0 -11.0 432 426 A A + 0 0 28 -2,-0.7 6,-0.1 1,-0.1 -2,-0.0 -0.849 15.0 174.5-108.0 97.9 35.9 -60.4 -14.2 433 427 A N + 0 0 167 -2,-0.8 2,-0.4 4,-0.1 -1,-0.1 0.558 59.3 78.3 -73.8 -20.5 36.6 -64.2 -14.3 434 428 A H S > S- 0 0 124 1,-0.1 4,-3.3 2,-0.0 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0 0 1 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.924 108.5 51.2 -65.9 -43.5 25.1 -5.1 9.1 749 748 A F H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.927 111.0 52.3 -55.0 -41.4 23.1 -4.7 12.3 750 749 A E H X S+ 0 0 34 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.956 112.3 40.0 -59.7 -56.2 26.4 -4.1 14.1 751 750 A I H X S+ 0 0 17 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.843 119.9 44.5 -71.4 -30.8 27.9 -1.4 11.9 752 751 A Y H >X S+ 0 0 1 -4,-2.1 4,-3.3 -5,-0.2 3,-1.6 0.948 110.3 52.9 -71.6 -49.0 24.6 0.5 11.4 753 752 A S H 3< S+ 0 0 1 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.774 102.4 63.4 -61.3 -28.8 23.5 0.3 15.1 754 753 A K H 3< S+ 0 0 131 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.869 117.6 24.7 -55.1 -42.2 26.9 1.8 15.8 755 754 A D H << S+ 0 0 62 -3,-1.6 -2,-0.2 -4,-0.7 3,-0.1 0.821 135.7 27.0-100.4 -35.8 26.0 5.0 13.9 756 755 A I >< + 0 0 11 -4,-3.3 3,-1.8 1,-0.1 4,-0.5 -0.384 60.9 157.6-126.0 55.9 22.2 5.2 14.0 757 756 A P G > S+ 0 0 28 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.843 71.7 66.0 -46.1 -35.7 21.1 3.4 17.1 758 757 A A G > S+ 0 0 60 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.781 89.3 63.1 -62.1 -33.6 17.8 5.3 17.1 759 758 A A G < S+ 0 0 17 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.664 102.3 53.9 -61.6 -15.7 16.6 3.7 13.8 760 759 A F G < S+ 0 0 0 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.411 101.1 56.1-103.6 3.8 16.6 0.4 15.7 761 760 A V < + 0 0 11 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.1 0.355 69.4 119.2-123.6 6.3 14.5 1.3 18.6 762 761 A T S >> S- 0 0 58 -4,-0.4 4,-2.6 -3,-0.2 3,-1.8 -0.313 80.5 -99.7 -65.8 157.6 11.3 2.6 17.1 763 762 A P H 3> S+ 0 0 105 0, 0.0 4,-0.7 0, 0.0 5,-0.3 0.818 118.2 55.7 -58.8 -33.4 8.3 0.5 18.1 764 763 A E H 34 S+ 0 0 124 1,-0.2 4,-0.2 2,-0.1 -2,-0.0 0.737 122.0 27.9 -73.3 -11.9 8.0 -1.7 15.0 765 764 A I H <> S+ 0 0 1 -3,-1.8 4,-3.5 3,-0.1 5,-0.3 0.796 104.4 71.6-109.7 -37.6 11.5 -2.9 15.3 766 765 A V H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.850 102.6 38.8 -66.0 -41.5 12.5 -2.8 18.9 767 766 A Y H X S+ 0 0 136 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.947 119.1 47.4 -72.0 -45.9 10.5 -5.7 20.4 768 767 A R H > S+ 0 0 107 -5,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.933 114.7 49.6 -54.8 -43.1 11.1 -7.9 17.3 769 768 A L H X S+ 0 0 0 -4,-3.5 4,-3.2 2,-0.2 5,-0.3 0.948 109.1 49.2 -63.2 -51.8 14.8 -7.0 17.5 770 769 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.941 114.5 46.8 -51.3 -45.3 15.1 -7.8 21.2 771 770 A S H X S+ 0 0 26 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.877 113.5 47.0 -72.0 -34.1 13.5 -11.1 20.6 772 771 A M H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.872 112.7 48.9 -71.7 -42.7 15.6 -12.0 17.6 773 772 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.962 113.5 47.0 -59.6 -50.7 18.9 -11.0 19.3 774 773 A N H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.871 111.3 50.7 -60.8 -42.8 18.0 -13.0 22.4 775 774 A Y H X S+ 0 0 50 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.928 112.8 46.0 -61.8 -45.1 17.0 -16.1 20.4 776 775 A N H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.930 109.8 55.4 -63.3 -40.0 20.2 -16.0 18.4 777 776 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.902 104.2 55.4 -58.5 -39.6 22.1 -15.5 21.6 778 777 A E H X S+ 0 0 64 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787 A L < + 0 0 30 -3,-1.0 2,-0.3 -5,-0.2 -90,-0.0 -0.677 37.1 162.4 -82.2 124.4 27.5 -29.0 16.4 789 788 A K + 0 0 183 -2,-0.5 2,-0.3 -92,-0.1 -3,-0.0 -0.841 1.8 158.7-141.0 108.3 30.7 -30.5 15.0 790 789 A V - 0 0 15 -2,-0.3 2,-0.4 -90,-0.0 -92,-0.0 -0.826 49.2-100.0-109.0 160.0 31.3 -30.7 11.3 791 790 A K S S- 0 0 192 -2,-0.3 4,-0.1 1,-0.2 -2,-0.0 -0.714 102.1 -1.5 -79.9 133.3 34.7 -31.1 9.8 792 791 A D S > S- 0 0 94 -2,-0.4 3,-1.8 1,-0.1 4,-0.4 0.968 70.2-171.7 47.2 73.2 36.0 -27.7 8.4 793 792 A P G > >S+ 0 0 45 0, 0.0 5,-2.3 0, 0.0 3,-0.7 0.642 76.9 75.4 -71.7 -10.5 32.9 -25.6 9.3 794 793 A Q G > 5S+ 0 0 102 1,-0.2 3,-1.5 3,-0.2 -2,-0.1 0.753 81.9 68.5 -64.7 -27.8 34.5 -22.7 7.3 795 794 A S G < 5S+ 0 0 48 -3,-1.8 -1,-0.2 1,-0.3 -3,-0.1 0.874 106.0 41.2 -55.3 -37.3 33.5 -24.5 4.2 796 795 A Y G < 5S- 0 0 48 -3,-0.7 -1,-0.3 -4,-0.4 -57,-0.2 -0.191 118.5-109.2-105.2 34.4 29.9 -23.7 5.2 797 796 A S T < 5 + 0 0 27 -3,-1.5 2,-0.9 1,-0.2 -3,-0.2 0.770 66.6 155.3 38.3 39.5 30.5 -20.1 6.3 798 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