==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-AUG-11 3VGB . COMPND 2 MOLECULE: MALTO-OLIGOSYLTREHALOSE TREHALOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR N.OKAZAKI,T.TAMADA,M.D.FEESE,M.KATO,Y.MIURA,T.KOMEDA,K.KOBAY . 550 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 43 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 1 2 1 1 0 0 1 1 2 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 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 PARALLEL BRIDGES PER LADDER . 2 5 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 0 2 0 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 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 8 A G 0 0 115 0, 0.0 40,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.8 -21.5 53.1 11.5 2 9 A N + 0 0 125 39,-0.2 2,-0.1 2,-0.0 41,-0.0 0.397 360.0 117.2-111.9 -2.3 -21.3 49.6 12.9 3 10 A E - 0 0 97 39,-0.1 2,-0.3 36,-0.1 38,-0.2 -0.369 44.9-160.9 -70.8 147.5 -21.0 47.4 9.8 4 11 A V E -A 40 0A 65 36,-2.0 36,-2.4 -2,-0.1 2,-0.4 -0.959 13.2-122.9-136.4 153.6 -17.8 45.3 9.3 5 12 A I E -A 39 0A 112 -2,-0.3 2,-0.4 34,-0.2 34,-0.2 -0.796 16.8-150.2-105.3 131.5 -16.1 43.6 6.4 6 13 A F E -A 38 0A 11 32,-3.3 32,-1.2 -2,-0.4 2,-0.4 -0.838 13.2-175.2-102.4 131.4 -15.3 39.8 6.3 7 14 A T E +A 37 0A 72 -2,-0.4 2,-0.4 30,-0.2 30,-0.2 -0.980 8.8 168.7-132.0 122.8 -12.3 38.5 4.3 8 15 A L E -A 36 0A 4 28,-2.2 28,-2.7 -2,-0.4 2,-0.8 -0.971 22.9-148.5-133.2 116.2 -11.3 34.9 3.7 9 16 A W E +A 35 0A 11 -2,-0.4 26,-0.2 26,-0.2 25,-0.1 -0.771 36.2 147.8 -85.9 112.7 -8.7 33.9 1.2 10 17 A A > + 0 0 0 24,-2.5 3,-0.7 -2,-0.8 187,-0.2 -0.601 12.1 166.2-147.2 79.8 -9.6 30.4 -0.1 11 18 A P T 3 S+ 0 0 16 0, 0.0 186,-0.2 0, 0.0 -1,-0.1 0.853 77.8 58.8 -66.9 -34.7 -8.6 29.8 -3.8 12 19 A Y T 3 S+ 0 0 126 184,-2.3 2,-0.4 22,-0.1 185,-0.2 0.750 93.0 84.3 -63.1 -25.6 -9.2 26.0 -3.6 13 20 A Q < - 0 0 16 -3,-0.7 3,-0.2 183,-0.6 -3,-0.1 -0.673 66.0-154.2 -91.4 132.1 -12.8 26.6 -2.7 14 21 A K S S- 0 0 159 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.946 79.8 -10.1 -66.4 -54.3 -15.4 27.3 -5.4 15 22 A S - 0 0 35 14,-0.0 2,-0.3 21,-0.0 -1,-0.3 -0.925 67.2-167.2-154.0 128.5 -17.9 29.2 -3.3 16 23 A V - 0 0 0 -2,-0.3 12,-1.5 -3,-0.2 2,-0.3 -0.850 8.0-146.6-118.5 147.7 -18.0 29.8 0.5 17 24 A K E -CD 27 52B 67 35,-2.0 35,-2.5 -2,-0.3 2,-0.3 -0.880 15.2-125.2-113.8 147.4 -20.6 31.1 2.9 18 25 A L E -CD 26 51B 0 8,-3.2 8,-2.8 -2,-0.3 2,-0.4 -0.700 22.9-161.0 -80.1 138.4 -20.4 33.1 6.1 19 26 A K E -CD 25 50B 56 31,-2.5 31,-1.9 -2,-0.3 2,-0.6 -0.855 8.4-171.9-127.4 97.2 -22.2 31.5 9.1 20 27 A V E - D 0 49B 3 4,-1.5 29,-0.2 -2,-0.4 3,-0.1 -0.817 28.2-133.2 -84.8 119.2 -23.0 33.8 12.0 21 28 A L S S+ 0 0 79 27,-2.2 -1,-0.1 -2,-0.6 28,-0.1 0.805 96.9 28.2 -49.2 -55.8 -24.3 31.3 14.6 22 29 A E S S+ 0 0 180 26,-0.3 -1,-0.3 -3,-0.1 27,-0.1 0.814 125.3 51.6 -76.1 -31.9 -27.5 33.0 15.9 23 30 A K S S- 0 0 83 1,-0.2 2,-0.1 -3,-0.1 0, 0.0 0.196 97.4 -73.1 -86.0-152.3 -28.1 34.8 12.5 24 31 A G - 0 0 29 1,-0.1 -4,-1.5 -5,-0.0 2,-0.5 -0.222 42.2 -88.0-100.6-174.5 -28.2 33.4 9.0 25 32 A L E -C 19 0B 96 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.862 41.2-159.5 -93.4 131.5 -25.9 32.0 6.3 26 33 A Y E -C 18 0B 70 -8,-2.8 -8,-3.2 -2,-0.5 2,-0.2 -0.961 14.2-128.3-122.7 123.9 -24.5 34.7 4.0 27 34 A E E -C 17 0B 106 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.452 26.0-140.5 -68.3 132.5 -23.2 34.1 0.4 28 35 A M - 0 0 10 -12,-1.5 2,-0.4 -2,-0.2 10,-0.2 -0.733 8.5-124.8-101.0 147.4 -19.7 35.5 -0.2 29 36 A E E -B 37 0A 151 8,-1.9 8,-2.3 -2,-0.3 2,-0.2 -0.735 24.7-145.8 -92.7 135.4 -18.4 37.2 -3.3 30 37 A R E -B 36 0A 103 -2,-0.4 2,-0.2 6,-0.2 6,-0.2 -0.635 11.5-166.1-100.6 151.8 -15.3 35.9 -5.0 31 38 A D > - 0 0 67 4,-0.9 3,-0.5 -2,-0.2 -1,-0.0 -0.679 41.0 -86.5-122.6-174.2 -12.5 37.7 -6.9 32 39 A E T 3 S+ 0 0 190 1,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 0.887 122.1 50.4 -58.0 -46.9 -9.6 36.8 -9.3 33 40 A K T 3 S- 0 0 113 1,-0.1 -1,-0.2 2,-0.1 188,-0.1 0.691 122.4 -99.0 -70.5 -22.7 -7.0 36.0 -6.5 34 41 A G S < S+ 0 0 0 -3,-0.5 -24,-2.5 1,-0.3 2,-0.4 0.664 71.6 147.0 107.7 25.7 -9.4 33.8 -4.6 35 42 A Y E -A 9 0A 26 -26,-0.2 -4,-0.9 -24,-0.1 2,-0.5 -0.806 34.0-154.5 -94.4 130.7 -10.6 36.1 -1.9 36 43 A F E +AB 8 30A 1 -28,-2.7 -28,-2.2 -2,-0.4 2,-0.3 -0.912 23.9 173.6-103.1 129.1 -14.2 35.8 -0.6 37 44 A T E +AB 7 29A 46 -8,-2.3 -8,-1.9 -2,-0.5 2,-0.3 -0.994 16.9 161.0-141.1 140.4 -15.7 39.0 0.9 38 45 A I E -A 6 0A 38 -32,-1.2 -32,-3.3 -2,-0.3 2,-0.5 -0.972 26.4-140.1-145.8 153.1 -18.9 40.6 2.3 39 46 A T E -A 5 0A 75 -2,-0.3 2,-0.5 -34,-0.2 -34,-0.2 -0.953 21.9-161.7-106.5 128.7 -19.7 43.6 4.4 40 47 A L E -A 4 0A 12 -36,-2.4 -36,-2.0 -2,-0.5 3,-0.4 -0.954 14.5-162.9-117.7 131.5 -22.5 43.0 7.0 41 48 A N S S+ 0 0 118 -2,-0.5 -39,-0.2 -38,-0.2 -1,-0.1 0.702 84.0 55.7 -79.7 -22.2 -24.4 45.7 8.6 42 49 A N S S+ 0 0 64 -38,-0.1 -1,-0.2 -39,-0.0 2,-0.1 0.317 75.7 117.0-102.4 5.1 -25.8 43.7 11.6 43 50 A V + 0 0 9 -3,-0.4 2,-0.3 -39,-0.1 -23,-0.0 -0.448 36.6 178.4 -80.3 148.1 -22.7 42.3 13.3 44 51 A K > - 0 0 138 -2,-0.1 3,-2.2 -41,-0.0 2,-0.5 -0.996 36.2 -66.3-147.9 143.8 -21.6 43.2 16.8 45 52 A V T 3 S+ 0 0 49 1,-0.3 33,-0.1 -2,-0.3 3,-0.1 -0.617 115.9 21.2 -61.8 117.0 -18.9 42.3 19.3 46 53 A R T 3 S+ 0 0 159 -2,-0.5 -1,-0.3 31,-0.3 2,-0.1 -0.153 76.5 136.7-134.0 88.8 -19.1 39.6 20.1 47 54 A D < - 0 0 32 -3,-2.2 30,-2.1 29,-0.1 2,-0.4 -0.463 47.3-124.3 -74.8 149.7 -21.0 37.3 17.7 48 55 A R E + E 0 76B 83 28,-0.2 -27,-2.2 -2,-0.1 2,-0.3 -0.795 34.6 174.1 -97.9 142.7 -19.6 33.9 16.9 49 56 A Y E -DE 20 75B 11 26,-3.0 26,-2.4 -2,-0.4 12,-0.4 -0.957 16.5-176.7-145.2 158.8 -19.0 32.8 13.3 50 57 A K E -D 19 0B 30 -31,-1.9 -31,-2.5 -2,-0.3 2,-0.4 -0.893 27.3-116.3-141.7 172.8 -17.6 30.1 11.0 51 58 A Y E -DF 18 59B 1 8,-3.0 8,-2.7 -2,-0.3 2,-0.5 -0.961 19.6-149.3-115.1 136.5 -17.1 29.6 7.3 52 59 A V E -DF 17 58B 13 -35,-2.5 -35,-2.0 -2,-0.4 6,-0.2 -0.925 17.3-153.2-112.0 118.9 -18.9 26.8 5.3 53 60 A L > - 0 0 6 4,-2.4 3,-1.6 -2,-0.5 -37,-0.1 -0.006 36.2 -96.9 -80.4 178.2 -17.0 25.3 2.3 54 61 A D T 3 S+ 0 0 70 1,-0.3 -1,-0.1 2,-0.1 -38,-0.1 0.902 128.6 65.9 -56.1 -43.9 -18.1 23.6 -0.9 55 62 A D T 3 S- 0 0 96 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.660 111.3-131.2 -41.2 -24.3 -17.4 20.6 1.2 56 63 A A < + 0 0 65 -3,-1.6 2,-0.1 1,-0.3 -1,-0.1 0.291 68.8 127.9 72.3 -5.9 -20.4 21.9 3.3 57 64 A S - 0 0 34 -5,-0.1 -4,-2.4 1,-0.0 2,-0.5 -0.478 58.9-125.3 -76.8 151.4 -18.1 21.4 6.3 58 65 A E E -F 52 0B 82 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.0 -0.885 27.6-179.4-111.1 123.9 -17.6 24.3 8.7 59 66 A I E -F 51 0B 2 -8,-2.7 -8,-3.0 -2,-0.5 2,-0.2 -0.808 28.8-109.5-116.6 153.2 -14.2 25.7 9.7 60 67 A P - 0 0 1 0, 0.0 -10,-0.1 0, 0.0 132,-0.1 -0.580 50.6 -83.5 -78.6 147.9 -13.1 28.5 12.0 61 68 A D > - 0 0 12 -12,-0.4 3,-1.5 -2,-0.2 15,-0.1 -0.285 34.8-150.6 -47.3 116.1 -11.7 31.8 10.6 62 69 A P T 3 S+ 0 0 5 0, 0.0 89,-0.4 0, 0.0 88,-0.2 0.788 101.4 47.7 -65.4 -26.9 -8.0 31.0 10.0 63 70 A A T 3 S+ 0 0 20 -56,-0.2 -2,-0.1 87,-0.1 86,-0.1 -0.213 90.5 152.2-100.7 37.6 -7.4 34.7 10.6 64 71 A S < - 0 0 0 -3,-1.5 87,-0.3 1,-0.1 3,-0.1 -0.333 41.2-155.2 -72.0 151.4 -9.5 34.6 13.8 65 72 A R S S+ 0 0 64 11,-0.4 88,-0.8 1,-0.3 2,-0.3 0.482 78.9 19.1-105.6 -6.7 -9.0 37.0 16.7 66 73 A Y - 0 0 52 86,-0.2 10,-2.1 10,-0.1 -1,-0.3 -0.878 51.7-167.6-164.6 130.6 -10.5 34.8 19.4 67 74 A Q > - 0 0 0 86,-0.4 3,-1.7 -2,-0.3 88,-0.3 -0.774 10.9-179.8-120.9 84.8 -11.4 31.1 19.7 68 75 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.812 83.2 38.2 -57.2 -36.8 -13.6 30.8 22.8 69 76 A E T 3 S- 0 0 120 5,-0.6 4,-0.3 1,-0.4 3,-0.3 -0.200 118.6-102.4-110.9 40.3 -14.0 27.0 22.5 70 77 A G X - 0 0 13 -3,-1.7 3,-0.9 1,-0.2 -1,-0.4 -0.120 64.3 -35.2 73.3-167.9 -10.5 26.1 21.4 71 78 A V T 3 S+ 0 0 5 1,-0.3 -1,-0.2 66,-0.2 -2,-0.0 0.794 138.7 40.2 -63.0 -35.9 -9.1 25.2 17.9 72 79 A H T 3 S+ 0 0 78 -3,-0.3 -1,-0.3 -5,-0.1 -2,-0.2 0.491 101.3 92.5 -93.4 -6.6 -12.2 23.3 16.6 73 80 A G S < S- 0 0 8 -3,-0.9 -3,-0.1 -4,-0.3 0, 0.0 -0.313 87.0 -78.8 -81.9 169.4 -14.7 25.8 18.2 74 81 A P - 0 0 13 0, 0.0 -5,-0.6 0, 0.0 2,-0.3 -0.170 43.5-109.6 -67.3 160.8 -16.2 28.8 16.4 75 82 A S E -E 49 0B 0 -26,-2.4 -26,-3.0 -8,-0.2 2,-0.4 -0.652 30.0-149.5 -89.7 149.0 -14.5 32.2 15.9 76 83 A Q E -E 48 0B 19 -10,-2.1 -11,-0.4 -2,-0.3 -28,-0.2 -0.953 14.2-118.1-125.7 140.9 -15.6 35.3 17.9 77 84 A I - 0 0 33 -30,-2.1 -31,-0.3 -2,-0.4 2,-0.3 -0.481 33.0-164.3 -69.6 137.9 -15.6 39.1 17.1 78 85 A I - 0 0 28 -2,-0.2 2,-0.4 -33,-0.1 -31,-0.1 -0.809 31.5 -89.3-117.3 164.6 -13.5 41.2 19.3 79 86 A Q - 0 0 122 -2,-0.3 2,-0.7 1,-0.1 -33,-0.0 -0.626 39.0-159.8 -67.5 122.0 -13.2 45.0 20.0 80 87 A E + 0 0 77 -2,-0.4 2,-0.7 2,-0.1 -1,-0.1 -0.767 25.8 156.1-111.0 85.6 -10.7 46.4 17.5 81 88 A S - 0 0 48 -2,-0.7 2,-2.0 155,-0.2 -2,-0.1 -0.881 35.1-145.6-112.1 99.3 -9.5 49.8 18.8 82 89 A K + 0 0 116 -2,-0.7 2,-0.6 155,-0.0 154,-0.2 -0.412 36.4 156.6 -68.6 79.0 -6.1 50.5 17.3 83 90 A E + 0 0 123 -2,-2.0 2,-0.3 152,-0.2 -2,-0.1 -0.944 12.2 139.8-108.9 116.9 -4.4 52.3 20.2 84 91 A F - 0 0 68 -2,-0.6 2,-0.2 153,-0.1 151,-0.1 -0.982 51.7-117.1-154.7 142.4 -0.6 52.2 20.1 85 92 A N - 0 0 104 -2,-0.3 153,-0.0 1,-0.1 -2,-0.0 -0.600 27.1-132.6 -72.3 144.3 2.3 54.5 20.8 86 93 A N S S+ 0 0 113 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.712 88.9 44.8 -72.2 -17.9 4.3 55.0 17.6 87 94 A E S S- 0 0 120 184,-0.0 2,-0.4 2,-0.0 184,-0.1 -0.905 75.4-133.4-123.6 148.9 7.4 54.4 19.5 88 95 A T - 0 0 13 182,-1.1 88,-0.0 -2,-0.3 151,-0.0 -0.825 13.4-142.9 -91.8 144.0 8.6 51.9 22.1 89 96 A F + 0 0 111 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.627 69.3 113.7 -77.5 -13.6 10.4 53.3 25.1 90 97 A L - 0 0 18 85,-0.1 2,-0.5 2,-0.0 -2,-0.2 -0.445 54.3-159.3 -63.2 118.2 12.7 50.3 25.1 91 98 A K > - 0 0 124 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.904 14.3-143.6 -90.3 125.5 16.3 51.0 24.2 92 99 A K G > S+ 0 0 55 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.782 99.1 63.2 -68.2 -23.1 17.8 47.8 23.0 93 100 A E G 3 S+ 0 0 95 1,-0.2 -1,-0.3 390,-0.1 390,-0.1 0.583 104.7 48.7 -69.9 -11.3 21.1 48.6 24.6 94 101 A D G < S+ 0 0 78 -3,-1.9 2,-0.4 389,-0.0 -1,-0.2 0.252 85.1 136.6-107.5 9.5 19.2 48.5 28.0 95 102 A L < + 0 0 1 -3,-1.2 2,-0.5 -4,-0.1 -3,-0.1 -0.457 21.8 165.9 -76.7 114.2 17.6 45.2 27.3 96 103 A I - 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0 0 31 70,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.967 55.5-149.9-129.9 113.4 25.1 33.7 9.8 282 289 A P G >> S+ 0 0 9 0, 0.0 4,-3.0 0, 0.0 3,-0.6 0.583 86.6 84.3 -59.5 -12.7 25.5 37.5 10.4 283 290 A R G 34 S+ 0 0 105 1,-0.2 10,-2.1 2,-0.2 11,-0.6 0.867 83.0 58.4 -58.9 -38.4 23.1 38.1 7.5 284 291 A V G <4 S+ 0 0 0 -3,-1.7 11,-1.8 8,-0.2 -1,-0.2 0.891 121.2 27.9 -54.2 -36.9 20.1 37.7 9.8 285 292 A V T <4 S+ 0 0 1 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.685 97.9 107.4-105.9 -22.6 21.5 40.5 11.9 286 293 A N S < S- 0 0 23 -4,-3.0 8,-1.6 1,-0.1 9,-0.2 -0.074 75.0 -96.6 -58.7 153.9 23.5 42.7 9.4 287 294 A P > > - 0 0 29 0, 0.0 5,-2.6 0, 0.0 3,-1.3 -0.298 34.7-112.3 -62.2 156.7 22.4 46.1 8.1 288 295 A K G > 5S+ 0 0 92 1,-0.3 3,-2.0 3,-0.2 -2,-0.1 0.889 118.8 55.5 -60.4 -42.0 20.7 46.2 4.6 289 296 A E G 3 5S+ 0 0 168 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.506 110.3 48.0 -72.4 -3.8 23.7 48.0 3.0 290 297 A K G < 5S- 0 0 124 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.206 127.0-103.0-115.0 11.7 25.7 45.1 4.3 291 298 A C T < 5S+ 0 0 106 -3,-2.0 -3,-0.2 1,-0.3 2,-0.1 0.539 77.0 127.9 88.6 12.3 23.2 42.5 2.9 292 299 A G S > + 0 0 2 63,-1.8 3,-1.1 1,-0.1 4,-0.9 -0.826 16.6 178.5-123.0 89.5 23.5 32.7 20.1 301 308 A D H 3> S+ 0 0 26 -2,-0.5 4,-3.5 -24,-0.4 5,-0.3 0.840 76.1 75.4 -53.8 -36.1 23.3 29.1 21.4 302 309 A D H 3> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.847 94.7 50.3 -47.7 -42.0 27.1 28.9 21.0 303 310 A F H <> S+ 0 0 2 -3,-1.1 4,-2.3 2,-0.2 3,-0.2 0.994 114.7 40.6 -58.5 -66.8 27.3 31.0 24.2 304 311 A H H X S+ 0 0 1 -4,-0.9 4,-3.5 1,-0.2 5,-0.2 0.895 116.0 51.7 -46.7 -51.7 25.0 28.8 26.3 305 312 A H H X S+ 0 0 7 -4,-3.5 4,-2.7 1,-0.2 5,-0.4 0.903 108.7 51.2 -56.4 -44.0 26.4 25.6 24.8 306 313 A S H X S+ 0 0 1 -4,-2.4 4,-1.8 -5,-0.3 22,-0.2 0.953 115.8 40.1 -57.4 -52.3 30.0 26.7 25.7 307 314 A I H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.958 119.2 46.4 -63.7 -50.2 29.1 27.5 29.3 308 315 A H H X S+ 0 0 2 -4,-3.5 4,-2.9 -5,-0.2 5,-0.4 0.923 112.2 47.1 -59.3 -55.8 26.9 24.4 29.7 309 316 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.912 114.7 48.3 -54.3 -46.0 29.1 21.8 28.1 310 317 A Y H < S+ 0 0 45 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.914 117.4 38.6 -64.0 -46.2 32.1 23.0 30.1 311 318 A L H < S+ 0 0 29 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.858 124.5 38.1 -77.3 -34.7 30.4 23.2 33.5 312 319 A T H < S- 0 0 31 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.788 91.0-136.5 -84.7 -31.4 28.4 20.0 33.1 313 320 A G < + 0 0 46 -4,-2.4 2,-0.1 -5,-0.4 -4,-0.1 0.460 54.1 149.8 80.6 2.4 30.9 17.7 31.2 314 321 A E + 0 0 40 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.431 23.6 169.5 -71.8 140.6 27.9 16.8 29.1 315 322 A R + 0 0 100 -2,-0.1 5,-0.2 -3,-0.1 -1,-0.1 0.244 31.8 124.2-137.3 8.1 28.5 15.8 25.4 316 323 A Q S > S- 0 0 104 3,-0.2 3,-1.7 4,-0.1 4,-0.2 -0.372 76.4 -16.0 -71.7 154.7 25.2 14.4 24.2 317 324 A G G > S- 0 0 47 1,-0.3 3,-1.6 2,-0.2 4,-0.2 -0.188 137.4 -6.1 50.5-133.5 23.5 15.8 21.1 318 325 A Y G > S+ 0 0 65 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.680 120.6 78.4 -67.2 -18.5 24.8 19.3 20.1 319 326 A Y G X S+ 0 0 7 -3,-1.7 3,-1.9 1,-0.3 -1,-0.3 0.717 76.2 78.1 -62.0 -18.5 27.1 19.5 23.2 320 327 A T G < S+ 0 0 72 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.773 86.7 59.3 -60.7 -25.6 29.5 17.2 21.4 321 328 A D G < S+ 0 0 10 -3,-1.8 -1,-0.3 -4,-0.2 2,-0.2 0.597 113.5 38.7 -76.8 -12.2 30.6 20.3 19.4 322 329 A F < + 0 0 13 -3,-1.9 -16,-0.1 -4,-0.2 -15,-0.0 -0.589 51.4 118.9-126.1-175.4 31.6 22.0 22.6 323 330 A G + 0 0 3 1,-0.4 2,-0.2 -2,-0.2 -1,-0.1 0.117 52.2 99.5 144.8 -24.0 33.2 21.3 26.0 324 331 A N S >> S- 0 0 108 1,-0.1 4,-0.8 4,-0.0 3,-0.8 -0.563 71.6-124.2-100.0 157.6 36.4 23.3 26.4 325 332 A L H >> S+ 0 0 12 1,-0.2 4,-1.6 -2,-0.2 3,-1.2 0.922 111.1 65.6 -58.3 -43.8 37.2 26.5 28.2 326 333 A D H 3> S+ 0 0 104 1,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.818 93.3 60.9 -45.4 -40.1 38.5 27.9 24.9 327 334 A D H <> S+ 0 0 20 -3,-0.8 4,-2.9 1,-0.2 -1,-0.3 0.881 104.1 48.6 -58.0 -42.4 34.9 27.7 23.5 328 335 A I H X S+ 0 0 50 -4,-3.3 4,-2.1 1,-0.2 3,-0.9 0.962 112.1 43.6 -53.1 -57.5 35.9 32.2 21.8 331 338 A S H 3X S+ 0 0 1 -4,-2.9 4,-1.4 1,-0.3 -1,-0.2 0.853 111.2 57.0 -59.9 -34.8 32.2 32.9 22.2 332 339 A Y H 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.767 121.4 25.4 -68.9 -28.0 33.0 35.8 24.5 333 340 A K H << S+ 0 0 101 -4,-1.6 -2,-0.2 -3,-0.9 -1,-0.2 0.484 135.0 30.2-116.9 -1.5 35.3 37.5 22.0 334 341 A D H < S- 0 0 69 -4,-2.1 2,-2.3 -5,-0.2 20,-0.3 0.326 87.2-138.9-132.0 3.0 33.9 36.3 18.6 335 342 A V S < S+ 0 0 1 -4,-1.4 2,-0.3 -5,-0.3 3,-0.1 -0.452 83.6 60.3 64.5 -71.3 30.2 35.7 19.4 336 343 A F - 0 0 0 -2,-2.3 3,-0.2 1,-0.2 18,-0.1 -0.661 58.3-165.9 -85.4 138.9 30.0 32.4 17.4 337 344 A V S S+ 0 0 0 -2,-0.3 2,-1.1 1,-0.2 -1,-0.2 0.825 93.9 52.6 -79.2 -41.2 32.2 29.4 18.3 338 345 A Y + 0 0 11 1,-0.1 14,-0.4 -3,-0.1 -1,-0.2 -0.777 65.6 149.3 -98.6 89.8 31.2 28.0 14.9 339 346 A D S S- 0 0 34 -2,-1.1 12,-0.3 12,-0.3 -1,-0.1 -0.320 87.6 -36.2-115.4 44.7 32.1 30.8 12.6 340 347 A G S S+ 0 0 38 10,-2.9 2,-0.3 1,-0.4 11,-0.2 0.847 105.8 118.8 94.9 51.3 32.9 28.7 9.5 341 348 A K E S-R 350 0G 86 9,-1.3 9,-2.3 7,-0.1 -1,-0.4 -0.950 71.0 -80.1-136.7 162.4 34.6 25.7 11.0 342 349 A Y E -R 349 0G 128 -2,-0.3 2,-0.5 7,-0.2 7,-0.3 -0.365 37.0-154.9 -68.3 132.3 33.6 22.0 10.8 343 350 A S E >> -R 348 0G 0 5,-3.1 4,-1.5 1,-0.1 5,-1.3 -0.947 9.1-161.7-106.9 121.4 30.9 20.7 13.2 344 351 A N T 45S+ 0 0 114 -2,-0.5 -1,-0.1 2,-0.2 -23,-0.1 0.794 94.0 55.7 -67.7 -29.5 31.0 17.0 14.0 345 352 A F T 45S+ 0 0 83 1,-0.2 -1,-0.2 -27,-0.1 -26,-0.1 0.925 119.6 29.0 -67.4 -45.9 27.4 17.3 15.2 346 353 A R T 45S- 0 0 71 2,-0.2 -2,-0.2 -28,-0.1 -1,-0.2 0.585 101.5-132.4 -91.4 -12.6 26.1 18.7 11.9 347 354 A R T <5S+ 0 0 172 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.888 73.7 70.1 56.3 49.4 28.8 16.9 9.8 348 355 A K E - 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