==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUL-04 1W3J . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,J.M.MACDONALD,C.A.TARLING,R.V.STICK,S.W.WITHERS, . 884 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 61 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.5 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 8 0 2 2 0 4 0 0 2 0 5 1 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 9 5 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 1 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 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 4 A K 0 0 96 0, 0.0 440,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 95.0 -22.1 23.7 20.5 2 5 A K B -A 440 0A 150 438,-0.2 438,-0.2 440,-0.1 437,-0.1 -0.701 360.0-138.2 -95.7 142.0 -20.3 27.0 19.9 3 6 A F - 0 0 12 436,-2.8 3,-0.1 -2,-0.3 377,-0.0 -0.425 35.3 -76.7 -93.3 166.9 -16.5 27.4 20.2 4 7 A P > - 0 0 55 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.195 59.3 -85.4 -60.3 156.3 -14.5 30.3 21.8 5 8 A E T 3 S+ 0 0 194 1,-0.2 434,-0.0 0, 0.0 0, 0.0 -0.428 117.4 18.7 -56.6 131.1 -14.1 33.6 19.9 6 9 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.2 -2,-0.1 433,-0.0 0.446 82.3 161.4 87.8 -0.3 -11.1 33.3 17.6 7 10 A F < - 0 0 12 -3,-1.7 2,-0.7 1,-0.1 -1,-0.3 -0.319 39.4-124.5 -56.3 129.1 -11.0 29.5 17.5 8 11 A L E -b 391 0B 30 382,-2.3 384,-2.6 62,-0.0 2,-0.6 -0.736 21.4-165.9 -86.8 112.7 -9.0 28.3 14.5 9 12 A W E +b 392 0B 2 -2,-0.7 62,-1.4 382,-0.2 63,-1.2 -0.868 27.0 166.9 -91.1 124.5 -10.7 25.9 12.1 10 13 A G E -bc 393 72B 0 382,-2.9 384,-2.2 -2,-0.6 2,-0.3 -0.788 35.7-141.7-133.1 170.4 -8.1 24.4 9.8 11 14 A V E -bc 394 73B 0 61,-1.5 63,-3.0 382,-0.3 2,-0.3 -0.953 24.4-149.3-127.7 154.8 -7.2 21.7 7.3 12 15 A A E +bc 395 74B 0 382,-2.2 385,-1.1 -2,-0.3 384,-0.6 -0.951 19.6 163.5-131.7 145.1 -3.8 19.9 7.2 13 16 A T - 0 0 1 61,-2.5 2,-0.3 -2,-0.3 387,-0.0 -0.793 25.1-130.7-136.5-178.6 -1.6 18.4 4.5 14 17 A A > - 0 0 0 -2,-0.2 4,-1.3 61,-0.2 3,-0.4 -0.991 22.2-119.6-141.7 145.3 2.1 17.2 4.2 15 18 A S H >> S+ 0 0 1 -2,-0.3 4,-2.5 1,-0.2 3,-0.6 0.869 110.1 39.7 -46.9 -58.4 4.6 18.0 1.4 16 19 A Y H 34 S+ 0 0 11 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.805 112.2 58.3 -67.5 -29.1 5.4 14.5 0.1 17 20 A Q H 34 S+ 0 0 0 -3,-0.4 384,-2.2 1,-0.1 -1,-0.2 0.782 124.9 12.9 -73.9 -24.1 1.7 13.4 0.4 18 21 A I H << S+ 0 0 2 -4,-1.3 36,-2.0 -3,-0.6 34,-0.9 0.707 110.6 70.8-121.5 -29.8 0.3 16.0 -1.9 19 22 A E < - 0 0 6 -4,-2.5 36,-2.1 -5,-0.3 37,-0.3 0.858 59.5-176.0 -68.8 -44.9 3.0 17.8 -3.9 20 23 A G + 0 0 2 -4,-0.3 30,-0.3 -5,-0.3 29,-0.2 -0.172 54.9 85.8 61.5-173.5 4.4 15.4 -6.5 21 24 A S > + 0 0 36 28,-2.8 3,-1.4 1,-0.1 28,-0.1 0.924 52.9 172.7 49.7 52.9 7.4 16.7 -8.6 22 25 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.756 76.0 39.3 -65.5 -25.9 9.9 15.6 -5.9 23 26 A L T > S+ 0 0 92 26,-0.1 3,-0.6 3,-0.1 -2,-0.1 0.221 89.0 128.0-107.4 11.7 12.9 16.4 -8.1 24 27 A A G X S+ 0 0 27 -3,-1.4 3,-1.7 1,-0.2 -4,-0.0 -0.357 70.9 6.0 -67.5 148.0 11.6 19.6 -9.7 25 28 A D G 3 S- 0 0 75 1,-0.3 -1,-0.2 -2,-0.0 68,-0.2 0.810 133.4 -49.0 54.4 43.3 13.5 22.8 -9.7 26 29 A G G < S+ 0 0 45 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.551 88.9 159.0 77.7 6.9 16.8 21.5 -8.1 27 30 A A < - 0 0 14 -3,-1.7 54,-0.3 -4,-0.1 -1,-0.2 -0.353 37.8-124.2 -59.7 140.8 15.2 19.7 -5.2 28 31 A G - 0 0 15 52,-2.6 57,-0.1 1,-0.1 -1,-0.1 -0.497 34.1 -91.9 -75.8 153.3 17.3 16.9 -3.5 29 32 A M - 0 0 78 -2,-0.2 94,-2.6 55,-0.1 95,-0.5 -0.388 40.5-146.3 -54.7 144.4 16.0 13.4 -3.2 30 33 A S B > -K 122 0C 6 92,-0.3 4,-1.9 93,-0.1 3,-0.4 -0.730 25.8-110.5-106.2 166.8 14.2 12.6 0.1 31 34 A I H > S+ 0 0 3 90,-2.6 4,-2.2 -2,-0.3 5,-0.2 0.735 120.1 57.5 -67.9 -22.6 14.2 9.3 2.0 32 35 A W H > S+ 0 0 2 89,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.816 103.8 53.0 -75.8 -30.1 10.5 8.9 1.0 33 36 A H H > S+ 0 0 20 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.958 115.5 38.4 -61.3 -52.2 11.5 9.1 -2.7 34 37 A T H < S+ 0 0 33 -4,-1.9 -2,-0.2 2,-0.2 -3,-0.1 0.880 117.9 50.4 -74.7 -36.9 14.1 6.4 -2.3 35 38 A F H >< S+ 0 0 11 -4,-2.2 3,-1.4 1,-0.2 6,-0.3 0.932 112.8 44.7 -63.7 -47.1 11.9 4.3 0.0 36 39 A S H 3< S+ 0 0 5 -4,-2.2 6,-0.2 1,-0.3 -1,-0.2 0.777 109.6 57.2 -72.6 -23.8 8.9 4.4 -2.2 37 40 A H T 3< S+ 0 0 87 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.418 87.6 93.0 -84.4 4.9 11.0 3.7 -5.3 38 41 A T S X S- 0 0 68 -3,-1.4 3,-1.7 -5,-0.1 4,-0.3 -0.884 88.7-113.8 -98.2 117.1 12.2 0.5 -3.6 39 42 A P T 3 S+ 0 0 121 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.175 96.0 21.9 -51.5 136.4 10.0 -2.5 -4.7 40 43 A G T 3 S+ 0 0 79 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.244 96.6 94.5 94.1 -9.4 7.9 -4.0 -1.9 41 44 A N S < S+ 0 0 55 -3,-1.7 2,-0.4 -6,-0.3 -5,-0.1 0.818 84.5 38.8 -84.2 -33.0 7.9 -1.0 0.5 42 45 A V S > S- 0 0 9 -4,-0.3 3,-2.3 -6,-0.2 -2,-0.3 -0.968 97.3 -90.0-125.2 135.4 4.6 0.7 -0.6 43 46 A K G > S- 0 0 81 361,-3.0 3,-2.2 -2,-0.4 364,-0.2 -0.097 108.1 -7.9 -42.4 136.4 1.2 -0.8 -1.6 44 47 A N G 3 S- 0 0 129 1,-0.3 -1,-0.3 362,-0.1 361,-0.0 0.664 119.5 -73.1 28.0 39.9 1.1 -1.4 -5.3 45 48 A G G < S+ 0 0 52 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.694 81.7 167.5 66.3 19.5 4.4 0.3 -6.0 46 49 A D < + 0 0 29 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 -0.327 8.3 179.1 -64.3 146.9 2.7 3.8 -5.4 47 50 A T - 0 0 22 -10,-0.1 4,-0.5 4,-0.0 3,-0.4 -0.864 42.5-108.6-136.1 178.4 5.1 6.7 -4.9 48 51 A G S S+ 0 0 0 -2,-0.3 -28,-0.3 -16,-0.2 -15,-0.1 0.101 80.7 114.2 -93.5 23.4 5.0 10.5 -4.4 49 52 A D S S- 0 0 59 -29,-0.2 -28,-2.8 -28,-0.1 -1,-0.2 0.893 99.8 -0.8 -59.6 -42.0 6.1 11.2 -7.9 50 53 A V S > S+ 0 0 87 -3,-0.4 3,-2.7 -30,-0.3 5,-0.2 0.734 84.1 153.6-114.4 -47.0 2.8 12.8 -8.9 51 54 A A T 3 S- 0 0 3 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.216 84.4 -22.3 51.0-130.3 0.5 12.6 -5.8 52 55 A C T 3 S- 0 0 0 -34,-0.9 -1,-0.3 -35,-0.1 -33,-0.2 0.330 83.0-125.2 -85.4 4.9 -2.1 15.5 -6.0 53 56 A D X> + 0 0 21 -3,-2.7 4,-2.4 1,-0.1 3,-2.0 0.780 59.2 151.5 49.7 31.6 0.2 17.5 -8.3 54 57 A H H 3> + 0 0 3 -36,-2.0 4,-1.2 1,-0.3 -35,-0.2 0.751 57.6 75.5 -63.2 -22.3 -0.1 20.3 -5.7 55 58 A Y H 34 S+ 0 0 15 -36,-2.1 -1,-0.3 -37,-0.2 -35,-0.1 0.801 114.6 21.6 -58.2 -30.4 3.3 21.5 -6.8 56 59 A N H <4 S+ 0 0 95 -3,-2.0 3,-0.3 -37,-0.3 -2,-0.2 0.717 128.5 48.4-102.3 -31.1 1.5 22.8 -9.9 57 60 A R H X S+ 0 0 74 -4,-2.4 4,-2.2 1,-0.2 -3,-0.2 0.169 71.6 116.8-101.1 15.6 -2.1 23.1 -8.6 58 61 A W H X S+ 0 0 36 -4,-1.2 4,-2.3 1,-0.2 5,-0.2 0.844 72.9 54.2 -53.3 -42.9 -1.3 24.9 -5.3 59 62 A K H > S+ 0 0 103 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.966 109.8 46.2 -62.5 -52.1 -3.3 28.1 -6.2 60 63 A E H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 111.9 53.1 -50.1 -47.0 -6.5 26.1 -7.0 61 64 A D H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.897 110.7 45.0 -60.7 -42.2 -6.1 24.2 -3.7 62 65 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 3,-0.2 0.933 108.5 57.5 -66.3 -44.2 -5.8 27.3 -1.6 63 66 A E H X S+ 0 0 65 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.866 104.7 53.2 -52.4 -37.1 -8.8 28.8 -3.5 64 67 A I H X S+ 0 0 24 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.903 108.1 49.3 -61.8 -43.0 -10.7 25.7 -2.3 65 68 A I H <>S+ 0 0 1 -4,-1.5 5,-1.9 -3,-0.2 4,-0.5 0.937 113.2 47.3 -61.1 -49.3 -9.6 26.5 1.3 66 69 A E H ><5S+ 0 0 84 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.943 110.4 51.3 -54.7 -53.6 -10.8 30.1 0.8 67 70 A K H 3<5S+ 0 0 160 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.802 109.7 50.1 -61.2 -30.6 -14.1 29.0 -0.7 68 71 A L T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.2 369,-0.2 0.598 110.6-128.3 -80.7 -9.7 -14.8 26.7 2.2 69 72 A G T < 5 + 0 0 35 -3,-1.9 -3,-0.2 -4,-0.5 2,-0.2 0.714 46.4 167.3 68.4 19.8 -14.0 29.6 4.5 70 73 A V < - 0 0 1 -5,-1.9 -1,-0.2 -6,-0.2 -60,-0.2 -0.492 26.9-150.9 -66.5 137.4 -11.4 27.5 6.4 71 74 A K + 0 0 85 -62,-1.4 40,-2.9 -2,-0.2 2,-0.3 0.589 67.5 31.4 -92.4 -18.5 -9.4 29.8 8.6 72 75 A A E -cd 10 111B 0 -63,-1.2 -61,-1.5 38,-0.3 2,-0.5 -0.997 57.6-156.6-147.3 143.0 -6.0 28.0 8.9 73 76 A Y E -cd 11 112B 2 38,-2.2 40,-2.9 -2,-0.3 2,-0.7 -0.987 6.0-159.8-125.8 120.4 -3.9 25.8 6.7 74 77 A R E +cd 12 113B 0 -63,-3.0 -61,-2.5 -2,-0.5 2,-0.3 -0.901 27.7 156.6 -97.0 118.6 -1.4 23.4 8.2 75 78 A F E - d 0 114B 4 38,-2.1 40,-3.1 -2,-0.7 2,-0.3 -0.900 31.3-127.9-135.9 164.1 1.2 22.4 5.6 76 79 A S E - d 0 115B 2 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.809 13.6-128.8-115.9 157.8 4.8 21.1 5.7 77 80 A I - 0 0 0 38,-2.0 2,-0.9 -2,-0.3 41,-0.4 -0.874 22.1-123.8-105.2 133.1 7.9 22.2 3.9 78 81 A S >> - 0 0 10 -2,-0.4 3,-1.6 1,-0.2 4,-1.2 -0.700 16.4-154.3 -76.7 105.8 10.1 19.7 2.0 79 82 A W H >> S+ 0 0 0 -2,-0.9 4,-2.9 1,-0.3 3,-1.0 0.905 92.5 54.1 -46.2 -52.9 13.6 20.0 3.6 80 83 A P H 34 S+ 0 0 2 0, 0.0 -52,-2.6 0, 0.0 -1,-0.3 0.661 101.9 58.4 -64.0 -14.2 15.3 18.7 0.4 81 84 A R H <4 S+ 0 0 7 -3,-1.6 13,-0.4 -54,-0.3 14,-0.2 0.808 115.6 36.8 -73.5 -30.9 13.6 21.5 -1.7 82 85 A I H << S+ 0 0 0 -4,-1.2 9,-2.9 -3,-1.0 13,-0.1 0.903 136.5 17.3 -88.0 -48.7 15.1 24.1 0.5 83 86 A L S >< S- 0 0 0 -4,-2.9 3,-2.2 7,-0.2 -1,-0.3 -0.876 70.1-167.8-127.7 94.1 18.6 22.5 1.1 84 87 A P T 3 S+ 0 0 5 0, 0.0 40,-0.4 0, 0.0 -1,-0.1 0.786 92.6 39.6 -54.8 -32.8 19.1 19.8 -1.6 85 88 A E T 3 S- 0 0 102 4,-0.3 2,-0.7 2,-0.3 5,-0.1 0.253 117.8-112.5 -98.0 6.5 22.1 18.3 0.3 86 89 A G S < S+ 0 0 0 -3,-2.2 2,-0.3 3,-0.2 57,-0.1 -0.198 94.1 31.6 91.7 -45.6 20.4 18.8 3.7 87 90 A T S S+ 0 0 33 -2,-0.7 2,-0.8 55,-0.1 -2,-0.3 -0.902 107.2 24.9-132.1 170.0 22.8 21.4 4.8 88 91 A G S S+ 0 0 50 -2,-0.3 -2,-0.0 -4,-0.1 2,-0.0 -0.731 96.0 63.6 87.5-110.1 24.9 24.1 3.1 89 92 A R - 0 0 134 -2,-0.8 2,-0.4 1,-0.1 -4,-0.3 -0.241 66.6-148.3 -65.6 129.6 23.4 25.3 -0.3 90 93 A V - 0 0 60 -7,-0.2 2,-0.8 -6,-0.1 -7,-0.2 -0.846 8.9-139.9 -99.5 132.8 20.0 26.9 -0.2 91 94 A N >> - 0 0 17 -9,-2.9 4,-1.6 -2,-0.4 3,-1.0 -0.822 8.7-163.3 -96.4 106.8 17.7 26.4 -3.2 92 95 A Q H 3> S+ 0 0 104 -2,-0.8 4,-2.7 1,-0.3 -1,-0.2 0.863 89.2 57.8 -60.2 -36.2 15.9 29.7 -4.1 93 96 A K H 3> S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.771 104.8 53.4 -65.6 -25.5 13.3 28.0 -6.2 94 97 A G H <> S+ 0 0 2 -3,-1.0 4,-1.3 -13,-0.4 -1,-0.2 0.912 109.6 46.4 -72.0 -46.6 12.4 25.9 -3.2 95 98 A L H X S+ 0 0 1 -4,-1.6 4,-3.1 -14,-0.2 -2,-0.2 0.901 109.9 55.2 -56.6 -44.9 11.9 29.1 -1.1 96 99 A D H X S+ 0 0 58 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.902 101.8 57.2 -60.1 -43.7 9.8 30.6 -3.9 97 100 A F H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.900 115.3 36.2 -51.2 -48.3 7.4 27.6 -4.0 98 101 A Y H X S+ 0 0 1 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.816 111.5 60.8 -82.2 -30.8 6.5 28.1 -0.3 99 102 A N H X S+ 0 0 27 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.937 105.7 48.4 -54.6 -47.5 6.7 32.0 -0.5 100 103 A R H X S+ 0 0 103 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 112.6 47.8 -62.2 -42.6 3.9 32.0 -3.1 101 104 A I H X S+ 0 0 2 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.932 114.6 46.9 -61.9 -46.9 1.8 29.6 -1.0 102 105 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.932 113.9 45.8 -61.7 -49.7 2.4 31.8 2.1 103 106 A D H X S+ 0 0 66 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.923 113.1 51.5 -60.1 -45.6 1.7 35.1 0.4 104 107 A T H X S+ 0 0 17 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.901 109.0 49.7 -58.3 -48.3 -1.4 33.7 -1.2 105 108 A L H <>S+ 0 0 0 -4,-2.4 5,-3.1 2,-0.2 -1,-0.2 0.916 112.5 47.0 -58.6 -46.7 -2.8 32.4 2.1 106 109 A L H ><5S+ 0 0 70 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.912 107.6 55.8 -65.2 -42.1 -2.2 35.7 3.9 107 110 A E H 3<5S+ 0 0 159 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.868 112.0 45.4 -50.5 -39.8 -3.9 37.6 1.0 108 111 A K T 3<5S- 0 0 55 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.339 119.4-111.2 -91.9 7.1 -6.9 35.4 1.5 109 112 A G T < 5 + 0 0 42 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.756 69.4 141.5 69.8 26.1 -6.9 35.8 5.3 110 113 A I < - 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