==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUL-07 2Z5G . COMPND 2 MOLECULE: THERMOSTABLE LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS ZALIHAE; . AUTHOR H.MATSUMURA,T.YAMAMOTO,T.INOUE,Y.KAI . 774 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 42 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.8 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 4 2 2 4 1 2 3 0 0 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 4 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 . 8 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 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 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 2 A S 0 0 89 0, 0.0 3,-0.1 0, 0.0 382,-0.0 0.000 360.0 360.0 360.0 128.4 48.1 5.9 44.8 2 3 A L - 0 0 159 1,-0.1 2,-0.2 382,-0.1 0, 0.0 -0.219 360.0-105.3 -53.2 135.0 48.0 7.4 48.3 3 4 A R + 0 0 109 1,-0.2 381,-0.3 383,-0.0 -1,-0.1 -0.473 38.2 179.6 -64.3 127.3 44.6 7.4 49.9 4 5 A A + 0 0 42 379,-3.1 2,-0.3 -2,-0.2 380,-0.2 0.534 62.7 29.9-107.3 -11.8 43.2 11.0 49.8 5 6 A N - 0 0 11 378,-1.6 -1,-0.1 381,-0.1 380,-0.1 -0.969 57.1-144.6-146.2 161.6 39.8 10.4 51.5 6 7 A D + 0 0 137 -2,-0.3 40,-0.1 -3,-0.1 377,-0.1 0.062 49.8 140.0-112.9 20.7 38.1 8.1 54.0 7 8 A A - 0 0 16 375,-0.1 99,-0.2 99,-0.1 -2,-0.1 -0.470 51.1-124.2 -70.1 132.0 34.7 7.8 52.3 8 9 A P - 0 0 22 0, 0.0 99,-2.3 0, 0.0 2,-0.4 -0.357 22.9-116.9 -74.0 158.3 33.1 4.4 52.4 9 10 A I E -ab 47 107A 4 37,-2.9 39,-2.6 97,-0.2 2,-0.5 -0.770 21.5-158.1 -97.8 141.2 32.1 2.7 49.2 10 11 A V E -ab 48 108A 0 97,-2.2 99,-2.4 -2,-0.4 2,-0.4 -0.983 10.1-142.8-122.7 122.7 28.4 1.8 48.6 11 12 A L E -ab 49 109A 0 37,-2.8 39,-2.8 -2,-0.5 2,-0.4 -0.686 16.9-171.1 -87.1 134.8 27.5 -0.9 46.0 12 13 A L E -ab 50 110A 2 97,-2.3 99,-2.2 -2,-0.4 102,-0.1 -0.932 8.3-148.7-135.7 112.9 24.4 -0.4 43.9 13 14 A H - 0 0 2 37,-0.5 4,-0.2 -2,-0.4 99,-0.0 -0.009 9.5-136.5 -69.6 174.7 22.9 -3.0 41.6 14 15 A G - 0 0 0 2,-0.8 98,-0.1 99,-0.2 38,-0.1 0.233 64.0 -26.9-106.5-135.1 21.0 -2.6 38.3 15 16 A L S S+ 0 0 6 40,-0.1 2,-0.3 224,-0.1 97,-0.1 0.412 135.9 36.3 -66.7 -0.2 17.8 -4.1 36.7 16 17 A T S S+ 0 0 5 37,-0.1 -2,-0.8 2,-0.0 2,-0.2 -0.954 80.9 120.9-143.6 150.9 18.4 -7.2 38.8 17 18 A G - 0 0 0 -2,-0.3 2,-0.3 -4,-0.2 34,-0.1 -0.665 26.1-173.1 156.8 149.1 19.7 -7.1 42.4 18 19 A W - 0 0 6 -2,-0.2 10,-0.4 32,-0.1 -5,-0.1 -0.956 32.4 -84.7-156.6 165.9 19.0 -8.0 46.0 19 20 A G > - 0 0 13 -2,-0.3 3,-1.6 185,-0.1 6,-0.2 -0.232 44.1-100.6 -76.3 166.9 20.3 -7.6 49.5 20 21 A R T 3 S+ 0 0 61 1,-0.3 -1,-0.1 29,-0.1 31,-0.0 0.718 122.7 50.5 -59.0 -25.3 22.9 -9.7 51.2 21 22 A E T 3 S+ 0 0 174 3,-0.1 3,-0.4 4,-0.0 -1,-0.3 0.570 99.7 85.6 -89.1 -11.7 20.3 -11.7 53.2 22 23 A E S X S+ 0 0 30 -3,-1.6 3,-2.1 1,-0.2 181,-0.2 -0.333 78.5 32.8 -85.8 170.2 18.3 -12.4 50.0 23 24 A M G > S- 0 0 2 179,-3.1 3,-1.9 1,-0.3 -1,-0.2 0.793 129.6 -70.5 54.0 33.1 18.8 -15.2 47.5 24 25 A F G 3 S- 0 0 137 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.754 96.7 -52.8 56.9 26.5 19.9 -17.5 50.3 25 26 A G G < S+ 0 0 28 -3,-2.1 2,-0.5 1,-0.3 -1,-0.3 0.349 95.2 143.1 95.4 -8.4 23.1 -15.4 50.5 26 27 A F < - 0 0 37 -3,-1.9 -1,-0.3 164,-0.2 2,-0.2 -0.569 49.9-131.7 -67.2 118.3 24.1 -15.7 46.9 27 28 A K > - 0 0 39 -2,-0.5 4,-1.7 4,-0.4 3,-0.2 -0.525 18.4-155.0 -80.9 136.8 25.6 -12.2 46.3 28 29 A Y T 4 S+ 0 0 5 -10,-0.4 2,-1.5 -2,-0.2 335,-0.2 0.921 97.0 60.8 -68.5 -42.5 24.7 -10.0 43.3 29 30 A W T 4 S+ 0 0 9 1,-0.2 7,-2.1 2,-0.1 8,-0.5 -0.638 126.9 5.0 -87.5 85.4 28.1 -8.4 43.9 30 31 A G T >> S- 0 0 0 331,-2.5 3,-2.4 -2,-1.5 4,-0.7 -0.139 82.5-177.6 135.2 -38.2 30.4 -11.4 43.4 31 32 A G T 3< S- 0 0 9 -4,-1.7 3,-0.5 1,-0.3 -4,-0.4 -0.172 74.5 -8.4 49.2-127.4 27.9 -14.2 42.3 32 33 A V T 34 S+ 0 0 82 330,-2.0 -1,-0.3 1,-0.2 331,-0.1 0.584 134.3 63.7 -76.2 -10.7 29.7 -17.5 41.8 33 34 A R T <4 S- 0 0 74 -3,-2.4 2,-0.3 329,-0.6 -1,-0.2 0.732 112.1 -97.4 -85.3 -26.9 33.2 -15.8 42.2 34 35 A G < - 0 0 29 -4,-0.7 2,-0.5 -3,-0.5 -1,-0.2 -0.999 52.9 -38.7 149.6-150.8 32.7 -14.7 45.8 35 36 A D > - 0 0 32 -2,-0.3 4,-2.1 -5,-0.2 -5,-0.2 -0.904 40.3-173.9-123.0 98.8 31.7 -11.7 48.0 36 37 A I H > S+ 0 0 0 -7,-2.1 4,-2.6 -2,-0.5 5,-0.2 0.897 85.4 53.9 -60.7 -46.1 33.0 -8.4 46.6 37 38 A E H > S+ 0 0 22 -8,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.917 111.0 48.1 -55.4 -43.0 31.9 -6.3 49.6 38 39 A Q H > S+ 0 0 75 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.909 108.4 53.7 -65.3 -42.0 33.8 -8.7 51.9 39 40 A W H X S+ 0 0 17 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.932 112.0 45.1 -57.6 -46.4 36.9 -8.5 49.7 40 41 A L H ><>S+ 0 0 1 -4,-2.6 5,-2.6 2,-0.2 3,-0.7 0.936 113.4 48.8 -65.1 -46.2 36.9 -4.7 49.9 41 42 A N H ><5S+ 0 0 36 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.926 109.9 51.9 -59.6 -44.4 36.3 -4.6 53.6 42 43 A D H 3<5S+ 0 0 110 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.718 108.3 54.1 -65.4 -18.8 39.0 -7.2 54.3 43 44 A N T <<5S- 0 0 85 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.248 127.5 -93.6 -99.4 11.8 41.4 -5.0 52.3 44 45 A G T < 5S+ 0 0 53 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.547 90.2 118.2 92.3 7.3 40.8 -1.8 54.3 45 46 A Y < - 0 0 41 -5,-2.6 -2,-0.2 -6,-0.2 -1,-0.2 -0.888 62.2-136.1-111.1 101.6 38.0 -0.2 52.2 46 47 A R - 0 0 126 -2,-0.7 -37,-2.9 -5,-0.1 2,-0.4 -0.356 34.5-179.9 -57.3 124.9 34.9 0.1 54.2 47 48 A T E -a 9 0A 0 -39,-0.2 2,-0.3 -10,-0.2 -37,-0.2 -0.993 16.9-176.5-138.1 140.7 32.0 -1.0 51.9 48 49 A Y E -a 10 0A 42 -39,-2.6 -37,-2.8 -2,-0.4 2,-0.4 -0.826 19.4-130.3-126.9 165.8 28.2 -1.4 52.2 49 50 A T E -a 11 0A 25 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.975 11.8-153.2-125.6 132.9 25.6 -2.7 49.9 50 51 A L E -a 12 0A 0 -39,-2.8 -37,-0.5 -2,-0.4 2,-0.4 -0.728 3.1-161.4 -99.8 150.3 22.3 -1.1 48.8 51 52 A A + 0 0 13 -2,-0.3 2,-0.2 -39,-0.1 -32,-0.1 -0.953 22.1 158.9-134.5 113.1 19.2 -3.0 47.7 52 53 A V - 0 0 0 -2,-0.4 9,-0.1 -38,-0.1 10,-0.0 -0.730 53.7 -59.1-125.2 176.0 16.5 -1.0 45.8 53 54 A G - 0 0 0 -2,-0.2 3,-0.3 153,-0.2 153,-0.1 -0.392 42.4-157.1 -59.9 116.9 13.7 -1.9 43.4 54 55 A P S S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 59,-0.1 0.874 93.5 32.2 -64.1 -36.3 15.2 -3.8 40.5 55 56 A L S S+ 0 0 1 150,-0.3 184,-2.8 184,-0.1 185,-0.5 0.446 100.6 106.4 -98.8 -2.7 12.3 -3.0 38.1 56 57 A S B S-H 238 0B 0 -3,-0.3 182,-0.2 182,-0.3 176,-0.0 -0.274 80.0 -88.1 -77.4 162.1 11.5 0.4 39.6 57 58 A S > - 0 0 3 180,-0.6 4,-2.5 1,-0.1 182,-0.2 -0.220 35.3-114.4 -63.2 157.5 12.2 3.8 38.1 58 59 A N H > S+ 0 0 1 180,-0.3 4,-2.8 1,-0.2 5,-0.2 0.852 118.9 58.2 -62.3 -31.4 15.6 5.4 38.8 59 60 A W H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.962 107.7 43.4 -62.6 -52.6 13.5 8.0 40.7 60 61 A D H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.924 115.5 50.5 -59.2 -42.5 12.0 5.5 43.0 61 62 A R H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.880 108.1 51.6 -64.4 -38.6 15.3 3.8 43.4 62 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.906 110.4 48.6 -65.9 -40.9 17.1 7.1 44.3 63 64 A C H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 12,-0.3 0.866 113.9 47.8 -64.6 -35.9 14.5 7.9 47.0 64 65 A E H X S+ 0 0 3 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.911 111.8 48.4 -70.5 -42.6 15.0 4.3 48.3 65 66 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.914 109.5 54.2 -63.5 -42.9 18.8 4.6 48.3 66 67 A Y H X S+ 0 0 32 -4,-2.6 4,-2.5 1,-0.2 5,-0.5 0.956 111.5 43.2 -56.0 -53.1 18.6 8.0 50.0 67 68 A A H X S+ 0 0 4 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.872 111.3 55.2 -62.3 -37.8 16.5 6.6 52.9 68 69 A Q H < S+ 0 0 14 -4,-2.2 28,-2.3 2,-0.2 -1,-0.2 0.858 114.4 42.0 -62.7 -36.4 18.6 3.5 53.1 69 70 A L H < S+ 0 0 0 -4,-2.0 28,-2.8 -3,-0.3 -2,-0.2 0.971 127.3 24.2 -76.8 -60.5 21.7 5.7 53.6 70 71 A V H < S- 0 0 8 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.691 112.4-114.7 -82.6 -18.4 20.6 8.5 56.0 71 72 A G < + 0 0 19 -4,-1.8 2,-0.2 -5,-0.5 -3,-0.1 0.072 63.0 82.9 98.7 148.9 17.8 6.5 57.6 72 73 A G E S-I 93 0C 29 21,-3.1 21,-2.9 -4,-0.1 2,-0.5 -0.716 77.7 -32.9 122.2-172.7 14.1 6.9 57.6 73 74 A T E -I 92 0C 66 19,-0.3 19,-0.3 -2,-0.2 18,-0.1 -0.758 64.2-108.4 -91.8 129.8 11.0 6.2 55.6 74 75 A V E - 0 0 0 17,-2.8 16,-2.3 -2,-0.5 2,-0.5 -0.329 34.8-166.0 -56.0 130.9 11.3 6.2 51.8 75 76 A D E -I 89 0C 18 -12,-0.3 14,-0.2 14,-0.2 13,-0.1 -0.954 14.1-175.4-126.6 109.0 9.5 9.3 50.4 76 77 A Y - 0 0 3 12,-3.1 4,-0.2 -2,-0.5 13,-0.1 0.498 55.4 -95.3 -82.3 -4.1 8.9 9.3 46.7 77 78 A G > - 0 0 1 11,-0.4 4,-2.6 3,-0.1 5,-0.2 0.376 22.4-110.3 95.4 129.3 7.4 12.9 46.7 78 79 A A H > S+ 0 0 15 64,-0.3 4,-1.8 1,-0.2 5,-0.2 0.842 117.6 47.0 -59.6 -36.7 3.8 13.9 46.9 79 80 A A H > S+ 0 0 2 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.925 113.2 47.3 -71.8 -46.8 3.7 15.1 43.4 80 81 A H H > S+ 0 0 15 -4,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 114.4 47.3 -59.3 -49.5 5.4 12.1 41.9 81 82 A A H X>S+ 0 0 6 -4,-2.6 4,-1.6 1,-0.2 5,-1.4 0.897 112.8 48.2 -60.9 -43.1 3.2 9.7 43.8 82 83 A A H <5S+ 0 0 59 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.905 112.6 50.0 -65.7 -39.9 -0.0 11.5 42.8 83 84 A K H <5S+ 0 0 146 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.889 119.2 33.8 -67.1 -40.3 1.0 11.7 39.2 84 85 A H H <5S- 0 0 51 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.551 107.0-117.8 -95.5 -8.3 1.9 8.0 38.8 85 86 A G T <5S+ 0 0 60 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.877 70.7 112.7 78.5 36.2 -0.7 6.5 41.1 86 87 A H S + 0 0 2 -28,-2.8 3,-2.2 -29,-0.2 -1,-0.2 -0.564 59.9 165.5-136.4 71.2 25.3 6.0 57.4 98 99 A P G > S+ 0 0 45 0, 0.0 3,-2.1 0, 0.0 4,-0.1 0.752 72.2 77.6 -59.3 -20.3 23.5 8.7 59.4 99 100 A E G > >S+ 0 0 85 1,-0.3 5,-2.4 2,-0.2 3,-2.2 0.660 72.3 81.3 -63.3 -13.1 26.7 10.7 59.6 100 101 A L G X 5S+ 0 0 13 -3,-2.2 3,-0.6 1,-0.3 -1,-0.3 0.751 85.4 60.1 -63.5 -20.7 26.0 11.7 56.0 101 102 A K G < 5S+ 0 0 136 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.542 108.0 44.2 -83.1 -5.1 23.7 14.3 57.6 102 103 A R G < 5S- 0 0 183 -3,-2.2 -1,-0.2 -4,-0.1 -2,-0.2 0.216 136.4 -68.1-123.8 13.3 26.7 15.7 59.4 103 104 A G T < 5S+ 0 0 63 -3,-0.6 -3,-0.2 1,-0.4 -2,-0.1 0.260 87.4 132.4 121.4 -13.4 29.4 15.9 56.7 104 105 A G < - 0 0 25 -5,-2.4 -1,-0.4 -6,-0.1 2,-0.3 -0.326 35.0-165.9 -68.9 155.2 30.2 12.3 56.0 105 106 A R - 0 0 58 49,-0.0 2,-0.3 -4,-0.0 49,-0.2 -0.819 7.3-153.9-135.3 176.3 30.4 11.2 52.4 106 107 A I E - c 0 154A 0 47,-2.1 49,-2.2 -2,-0.3 50,-0.9 -0.933 14.4-130.8-146.1 167.7 30.5 8.1 50.2 107 108 A H E -bc 9 156A 1 -99,-2.3 -97,-2.2 -2,-0.3 2,-0.5 -0.884 24.2-145.6-115.7 151.0 31.6 6.7 46.9 108 109 A I E -bc 10 157A 0 48,-2.4 50,-2.9 -2,-0.3 2,-0.6 -0.985 10.1-166.9-123.4 126.9 29.1 4.7 44.8 109 110 A I E -bc 11 158A 0 -99,-2.4 -97,-2.3 -2,-0.5 2,-0.4 -0.964 22.9-175.8-109.7 113.4 30.1 1.8 42.6 110 111 A A E -bc 12 159A 0 48,-3.2 50,-2.2 -2,-0.6 2,-0.3 -0.917 14.8-156.6-120.2 140.0 27.2 1.1 40.4 111 112 A H E > - c 0 160A 1 -99,-2.2 3,-2.3 -2,-0.4 50,-0.2 -0.840 57.8 -27.9-112.7 145.4 26.5 -1.7 37.9 112 113 A S T > S- 0 0 1 48,-2.6 3,-2.3 -2,-0.3 4,-0.4 -0.184 134.1 -2.1 56.4-138.0 24.1 -1.7 35.0 113 114 A Q T >> S+ 0 0 1 1,-0.3 4,-1.7 2,-0.2 3,-1.1 0.687 118.6 83.8 -60.4 -14.6 21.1 0.6 35.5 114 115 A G H <> S+ 0 0 0 -3,-2.3 4,-2.6 1,-0.3 -1,-0.3 0.787 81.4 63.7 -58.3 -24.7 22.5 1.3 38.9 115 116 A G H <> S+ 0 0 0 -3,-2.3 4,-2.0 2,-0.2 -1,-0.3 0.850 100.6 49.4 -68.4 -33.9 24.6 3.9 37.2 116 117 A Q H <> S+ 0 0 0 -3,-1.1 4,-2.4 -4,-0.4 -1,-0.2 0.915 111.8 49.9 -68.5 -42.1 21.5 5.9 36.2 117 118 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.915 109.1 50.7 -62.0 -45.5 20.3 5.7 39.8 118 119 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.937 111.5 48.1 -59.3 -48.0 23.6 6.9 41.2 119 120 A R H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.921 112.3 49.7 -58.0 -45.2 23.7 9.9 38.8 120 121 A M H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.857 106.9 53.7 -64.9 -37.0 20.1 10.7 39.7 121 122 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.922 111.1 47.1 -63.8 -42.2 20.6 10.6 43.5 122 123 A V H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.932 112.4 49.9 -63.6 -44.4 23.5 13.1 43.1 123 124 A S H X>S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.5 0.916 112.9 46.2 -59.5 -46.8 21.3 15.3 40.9 124 125 A L H X5S+ 0 0 0 -4,-2.8 4,-2.3 3,-0.2 -1,-0.2 0.910 110.8 52.3 -65.4 -42.0 18.5 15.2 43.4 125 126 A L H <5S+ 0 0 3 -4,-2.7 26,-2.4 -5,-0.2 -2,-0.2 0.951 116.6 40.6 -58.4 -46.3 20.8 15.9 46.4 126 127 A E H <5S+ 0 0 49 -4,-2.4 24,-2.5 24,-0.2 -2,-0.2 0.915 136.4 11.6 -68.7 -47.0 22.2 19.0 44.6 127 128 A N H <5S- 0 0 90 -4,-2.8 -3,-0.2 22,-0.3 -2,-0.2 0.588 83.1-159.8-111.7 -13.8 19.1 20.5 43.0 128 129 A G << - 0 0 7 -4,-2.3 2,-0.4 -5,-0.5 20,-0.2 -0.336 43.0 -62.8 64.8-150.0 16.2 18.7 44.6 129 130 A S > - 0 0 17 18,-2.2 4,-2.1 1,-0.1 5,-0.1 -0.960 31.5-161.1-140.1 119.4 12.9 18.9 42.6 130 131 A Q H > S+ 0 0 123 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.895 95.5 54.9 -65.5 -39.7 11.1 22.1 41.8 131 132 A E H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 110.4 46.3 -59.9 -43.4 7.8 20.3 41.1 132 133 A E H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 110.9 52.1 -66.2 -40.7 8.0 18.6 44.5 133 134 A R H X S+ 0 0 94 -4,-2.1 4,-1.4 14,-0.3 -2,-0.2 0.917 113.9 43.4 -61.8 -42.7 8.8 21.8 46.3 134 135 A E H X S+ 0 0 109 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.931 111.8 52.6 -68.3 -46.9 5.8 23.6 44.7 135 136 A Y H X S+ 0 0 69 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.914 107.5 52.7 -55.3 -46.5 3.3 20.8 45.1 136 137 A A H X>S+ 0 0 11 -4,-2.2 5,-2.1 1,-0.2 4,-0.5 0.893 111.4 46.3 -58.0 -42.3 4.1 20.6 48.8 137 138 A K H ><5S+ 0 0 186 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.951 113.2 47.7 -66.2 -50.1 3.5 24.3 49.3 138 139 A A H 3<5S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.735 119.9 38.6 -64.4 -25.0 0.2 24.3 47.3 139 140 A H H 3<5S- 0 0 99 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.325 104.8-122.2-109.7 6.4 -1.2 21.2 49.2 140 141 A N T <<5 + 0 0 154 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.922 66.1 133.9 53.5 49.4 0.1 21.9 52.6 141 142 A V < - 0 0 58 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.913 59.0 -93.8-126.9 156.8 2.1 18.7 52.9 142 143 A S - 0 0 80 -2,-0.3 2,-0.4 -3,-0.1 -64,-0.3 -0.102 32.7-140.8 -63.7 165.0 5.6 17.9 54.1 143 144 A L - 0 0 46 -66,-0.1 5,-0.1 -65,-0.1 -1,-0.1 -0.996 15.7-119.2-134.0 129.6 8.6 17.8 51.7 144 145 A S > - 0 0 12 -2,-0.4 3,-1.9 1,-0.1 4,-0.4 -0.388 23.4-125.5 -64.9 139.7 11.5 15.3 51.9 145 146 A P G >> S+ 0 0 59 0, 0.0 3,-1.6 0, 0.0 4,-0.9 0.827 108.1 71.8 -55.5 -28.8 14.9 17.0 52.3 146 147 A L G 34 S+ 0 0 1 1,-0.3 3,-0.2 2,-0.2 -18,-0.2 0.830 98.2 47.0 -56.6 -32.2 16.0 15.2 49.2 147 148 A F G <4 S+ 0 0 0 -3,-1.9 -18,-2.2 -19,-0.2 -1,-0.3 0.502 95.6 74.8 -90.6 -2.6 13.8 17.5 47.1 148 149 A E T <4 S- 0 0 101 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.865 87.5-149.0 -75.8 -36.9 15.0 20.7 48.8 149 150 A G < + 0 0 13 -4,-0.9 -22,-0.3 -3,-0.2 -23,-0.2 -0.316 64.8 95.8 90.4 178.5 18.3 20.8 47.0 150 151 A G + 0 0 73 -24,-2.5 2,-0.3 1,-0.3 -24,-0.2 0.773 64.8 120.2 70.4 25.5 21.5 22.2 48.4 151 152 A H + 0 0 63 -26,-2.4 2,-0.3 -27,-0.2 -1,-0.3 -0.856 34.4 174.0-120.2 157.2 22.7 18.8 49.7 152 153 A H + 0 0 71 -2,-0.3 -49,-0.1 -52,-0.2 3,-0.1 -0.853 22.1 138.7-165.4 124.4 25.8 16.8 48.9 153 154 A F + 0 0 9 -2,-0.3 -47,-2.1 1,-0.1 2,-0.7 0.346 50.2 94.8-149.1 9.2 27.3 13.6 50.2 154 155 A V E +c 106 0A 2 -49,-0.2 -47,-0.2 1,-0.2 3,-0.1 -0.907 39.3 177.6-110.6 109.6 28.7 11.6 47.2 155 156 A L E + 0 0 1 -49,-2.2 107,-2.6 -2,-0.7 2,-0.3 0.916 69.0 9.0 -75.9 -46.3 32.3 12.3 46.4 156 157 A S E -cd 107 262A 0 -50,-0.9 -48,-2.4 105,-0.2 2,-0.4 -0.984 54.9-160.6-141.8 154.4 32.6 9.8 43.5 157 158 A V E -cd 108 263A 0 105,-2.8 107,-3.0 -2,-0.3 2,-0.5 -0.997 6.7-171.2-132.1 124.9 30.5 7.7 41.3 158 159 A T E -cd 109 264A 0 -50,-2.9 -48,-3.2 -2,-0.4 2,-0.4 -0.978 9.3-162.9-116.7 125.4 31.9 4.7 39.3 159 160 A T E -cd 110 265A 0 105,-2.8 107,-2.6 -2,-0.5 2,-0.4 -0.885 2.1-162.6-111.2 143.5 29.5 3.1 36.7 160 161 A I E S-cd 111 266A 0 -50,-2.2 -48,-2.6 -2,-0.4 107,-0.2 -0.981 72.8 -19.1-128.8 118.4 30.1 -0.3 35.2 161 162 A A S S+ 0 0 0 105,-2.2 106,-0.1 -2,-0.4 -1,-0.1 0.810 89.2 168.6 56.0 34.4 28.3 -1.4 32.0 162 163 A T - 0 0 0 104,-0.4 2,-2.0 162,-0.3 3,-0.3 -0.604 41.6-133.1 -84.4 133.7 25.7 1.3 32.6 163 164 A P > + 0 0 0 0, 0.0 3,-1.5 0, 0.0 161,-0.2 -0.507 39.4 162.3 -82.0 69.8 23.2 2.1 29.8 164 165 A H T 3 S+ 0 0 0 -2,-2.0 160,-0.2 159,-1.4 88,-0.1 0.825 84.5 31.1 -60.1 -31.8 23.7 5.9 30.1 165 166 A D T 3 S- 0 0 3 158,-0.7 -1,-0.3 1,-0.5 84,-0.2 0.131 124.6-109.1-110.1 17.5 22.2 6.3 26.7 166 167 A G < - 0 0 0 -3,-1.5 -1,-0.5 157,-0.2 2,-0.4 -0.262 31.4 -90.0 84.9-176.0 19.9 3.3 27.1 167 168 A T > - 0 0 0 76,-1.9 3,-1.2 152,-0.1 78,-0.3 -0.998 13.7-137.4-138.1 139.4 20.0 -0.1 25.4 168 169 A T G > S+ 0 0 0 -2,-0.4 3,-2.1 1,-0.3 4,-0.2 0.595 89.1 92.2 -72.6 -6.7 18.4 -1.2 22.2 169 170 A L G > S+ 0 0 8 149,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.807 75.5 65.8 -54.7 -31.6 17.5 -4.5 23.9 170 171 A V G < S+ 0 0 24 -3,-1.2 -1,-0.3 1,-0.3 5,-0.2 0.685 92.0 61.0 -66.3 -18.9 14.2 -2.8 24.9 171 172 A N G < S+ 0 0 56 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.424 81.4 116.2 -88.8 1.4 13.1 -2.6 21.2 172 173 A M S X S- 0 0 25 -3,-1.4 3,-1.5 -4,-0.2 2,-0.3 -0.271 77.3 -98.0 -70.8 154.5 13.2 -6.3 20.8 173 174 A V T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.587 111.5 6.6 -73.4 133.2 10.0 -8.4 20.0 174 175 A D T 3> S+ 0 0 86 -2,-0.3 4,-2.7 1,-0.1 -1,-0.3 0.829 80.0 154.0 60.9 28.1 8.7 -10.0 23.1 175 176 A F H <> S+ 0 0 7 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.863 70.6 62.1 -50.1 -34.8 11.3 -7.9 25.1 176 177 A T H > S+ 0 0 36 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.970 108.6 35.8 -58.6 -53.7 8.7 -8.3 27.9 177 178 A D H > S+ 0 0 49 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.893 119.8 50.1 -68.3 -37.9 8.8 -12.1 28.1 178 179 A R H X S+ 0 0 79 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.817 106.0 56.0 -71.3 -29.2 12.6 -12.2 27.4 179 180 A F H X S+ 0 0 8 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.2 0.908 110.4 44.5 -68.9 -39.6 13.3 -9.6 30.1 180 181 A F H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.729 107.0 59.2 -76.4 -18.8 11.6 -11.7 32.7 181 182 A D H X S+ 0 0 44 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.802 102.1 55.9 -74.4 -27.6 13.4 -14.8 31.3 182 183 A L H X S+ 0 0 4 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.927 105.8 49.4 -65.9 -44.6 16.5 -12.8 32.2 183 184 A Q H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.923 112.0 49.0 -59.6 -43.3 15.2 -12.5 35.8 184 185 A K H X S+ 0 0 47 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.876 109.0 52.6 -64.2 -37.5 14.6 -16.3 35.7 185 186 A A H X S+ 0 0 30 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.889 109.6 48.6 -65.1 -40.6 18.1 -16.9 34.3 186 187 A V H X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.871 109.0 53.5 -67.1 -37.4 19.6 -14.9 37.1 187 188 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 -2,-0.2 0.915 109.5 48.9 -62.5 -40.7 17.5 -16.8 39.6 188 189 A E H ><5S+ 0 0 155 -4,-2.1 3,-2.2 3,-0.2 -2,-0.2 0.891 105.1 57.0 -66.9 -38.1 19.0 -20.0 38.1 189 190 A A H 3<5S+ 0 0 40 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.865 108.3 48.7 -58.8 -35.2 22.5 -18.7 38.4 190 191 A A T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.243 124.0-110.0 -87.9 12.0 21.8 -18.3 42.1 191 192 A A T < 5S+ 0 0 90 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.895 74.6 136.4 59.3 44.6 20.5 -21.8 42.2 192 193 A V < - 0 0 5 -5,-2.6 -1,-0.2 -8,-0.2 2,-0.2 -0.987 47.6-137.0-123.0 129.8 16.9 -20.7 42.7 193 194 A A - 0 0 36 -2,-0.4 3,-0.4 1,-0.1 27,-0.2 -0.528 1.8-149.9 -84.4 152.7 14.0 -22.3 40.8 194 195 A S S S+ 0 0 27 -2,-0.2 27,-2.7 1,-0.2 28,-0.3 0.429 90.8 61.3-101.2 0.6 11.2 -20.2 39.2 195 196 A N S S+ 0 0 114 25,-0.2 -1,-0.2 24,-0.2 24,-0.1 -0.017 84.4 93.1-115.2 29.6 8.5 -22.9 39.6 196 197 A V S S- 0 0 53 -3,-0.4 2,-2.0 22,-0.1 24,-0.4 -0.984 70.3-137.2-126.3 127.3 8.5 -23.2 43.4 197 198 A P - 0 0 62 0, 0.0 20,-0.4 0, 0.0 22,-0.2 -0.433 30.4-161.2 -82.4 68.0 6.3 -21.3 45.8 198 199 A Y - 0 0 49 -2,-2.0 20,-0.2 1,-0.1 19,-0.1 -0.205 15.0-149.2 -50.9 130.3 9.0 -20.5 48.3 199 200 A T S S+ 0 0 154 17,-0.1 2,-0.2 18,-0.1 -1,-0.1 0.833 83.5 67.7 -72.8 -32.8 7.5 -19.5 51.7 200 201 A S S S- 0 0 59 1,-0.1 3,-0.2 2,-0.0 0, 0.0 -0.578 96.6-116.1 -83.3 154.3 10.4 -17.2 52.4 201 202 A Q + 0 0 76 -2,-0.2 2,-3.0 1,-0.2 -1,-0.1 0.889 41.7 173.3 -57.0 -45.2 10.7 -14.1 50.2 202 203 A V S S+ 0 0 12 -181,-0.1 -179,-3.1 2,-0.1 2,-0.3 -0.229 72.9 27.2 68.4 -55.4 14.0 -15.1 48.6 203 204 A Y S S- 0 0 5 -2,-3.0 2,-0.6 -181,-0.2 -185,-0.1 -0.852 75.0-164.6-143.1 100.9 13.9 -12.2 46.1 204 205 A D - 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