==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-OCT-08 3EWM . COMPND 2 MOLECULE: UNCHARACTERIZED SUGAR KINASE PH1459; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR G.KUMAR,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YORK . 595 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 8.6 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 . 2 0.3 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 . 2 0.3 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 . 55 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 2 2 2 0 0 2 4 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 4 7 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 . 0 0 1 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 1 2 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 88 0, 0.0 47,-0.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 114.8 -2.9 18.9 24.0 2 3 A L E -a 48 0A 3 121,-0.4 123,-2.7 45,-0.1 124,-1.3 -0.935 360.0-158.5-124.3 137.4 -2.5 19.1 20.3 3 4 A I E -ab 49 126A 0 45,-2.6 47,-2.1 -2,-0.4 2,-0.5 -0.988 18.8-162.2-109.3 121.6 0.4 18.3 18.0 4 5 A A E -ab 50 127A 0 122,-2.9 124,-3.4 -2,-0.5 2,-0.4 -0.890 2.8-161.9-105.3 132.3 0.0 20.1 14.6 5 6 A S E -ab 51 128A 0 45,-3.3 47,-3.3 -2,-0.5 2,-0.4 -0.887 6.4-168.0-109.1 144.3 2.0 19.1 11.6 6 7 A I E +ab 52 129A 0 122,-3.1 124,-0.5 -2,-0.4 2,-0.3 -0.993 39.6 48.6-135.1 130.0 2.4 21.4 8.6 7 8 A G S S+ 0 0 0 45,-2.1 47,-0.3 -2,-0.4 -2,-0.1 -0.992 80.3 17.4 149.6-148.4 3.7 20.6 5.2 8 9 A E + 0 0 5 -2,-0.3 28,-0.8 45,-0.1 2,-0.4 -0.246 42.8 176.8 -68.7 134.4 3.3 18.2 2.3 9 10 A L + 0 0 0 45,-0.4 78,-0.6 26,-0.1 2,-0.3 -0.984 26.6 145.0-134.3 122.0 0.3 16.0 2.0 10 11 A L E -Ij 32 87B 7 22,-2.3 22,-2.9 -2,-0.4 2,-0.6 -0.931 52.0 -90.2-151.3 168.1 0.4 13.9 -1.2 11 12 A I E -Ij 31 88B 0 76,-2.9 78,-2.5 -2,-0.3 2,-0.7 -0.795 33.2-151.7 -84.2 121.2 -0.3 10.7 -3.0 12 13 A D E -Ij 30 89B 21 18,-3.1 18,-2.3 -2,-0.6 2,-0.8 -0.885 4.0-160.9 -88.3 122.1 2.5 8.2 -2.9 13 14 A L E -Ij 29 90B 0 76,-3.6 78,-2.9 -2,-0.7 2,-0.6 -0.903 18.6-158.6-101.5 103.5 2.4 6.1 -6.0 14 15 A I E -Ij 28 91B 16 14,-3.5 14,-2.8 -2,-0.8 78,-0.2 -0.795 17.1-118.9-100.3 119.2 4.5 3.2 -4.8 15 16 A S E -I 27 0B 1 76,-2.9 78,-0.3 -2,-0.6 12,-0.2 -0.202 17.1-158.6 -46.2 129.8 6.1 0.9 -7.3 16 17 A V S S+ 0 0 67 10,-2.4 2,-0.3 2,-0.1 -1,-0.2 0.621 74.5 40.3 -91.3 -16.6 4.8 -2.6 -6.7 17 18 A E S S- 0 0 42 9,-0.5 77,-0.2 1,-0.1 7,-0.1 -0.806 92.4 -92.1-124.7 168.7 7.8 -4.2 -8.4 18 19 A E S S+ 0 0 132 -2,-0.3 2,-0.1 75,-0.1 -2,-0.1 -0.338 71.3 72.8 -72.5 159.2 11.6 -3.6 -8.5 19 20 A G S S- 0 0 36 75,-0.1 75,-0.1 5,-0.1 5,-0.1 -0.426 83.7 -43.8 125.6 166.8 13.3 -1.5 -11.1 20 21 A D >> - 0 0 106 -2,-0.1 3,-1.6 1,-0.1 4,-1.5 -0.352 55.4-116.3 -58.9 142.1 13.9 2.0 -12.3 21 22 A L T 34 S+ 0 0 3 1,-0.3 -1,-0.1 2,-0.2 70,-0.0 0.805 116.1 67.7 -48.3 -35.3 10.7 4.2 -12.2 22 23 A K T 34 S+ 0 0 40 1,-0.2 -1,-0.3 345,-0.0 -3,-0.0 0.895 111.9 30.5 -48.8 -41.7 11.2 4.4 -16.0 23 24 A D T <4 S+ 0 0 80 -3,-1.6 -2,-0.2 344,-0.0 -1,-0.2 0.584 87.1 116.1-103.3 -16.7 10.3 0.7 -16.1 24 25 A V < - 0 0 0 -4,-1.5 -5,-0.1 1,-0.1 3,-0.1 -0.376 41.2-171.3 -59.7 130.5 8.0 0.1 -13.2 25 26 A R + 0 0 148 1,-0.2 308,-2.9 -2,-0.1 2,-0.4 0.737 61.7 47.8 -95.2 -31.4 4.6 -0.9 -14.5 26 27 A L E - K 0 332B 37 306,-0.2 -10,-2.4 291,-0.0 -9,-0.5 -0.962 56.6-172.2-129.0 134.4 2.4 -0.8 -11.4 27 28 A F E -IK 15 331B 0 304,-2.7 304,-2.8 -2,-0.4 2,-0.4 -0.988 14.8-146.0-129.0 124.6 1.9 1.7 -8.7 28 29 A E E -IK 14 330B 79 -14,-2.8 -14,-3.5 -2,-0.4 2,-0.5 -0.747 22.5-131.2 -81.5 132.9 -0.1 1.3 -5.5 29 30 A K E +I 13 0B 2 300,-2.7 -16,-0.2 -2,-0.4 -18,-0.0 -0.723 38.6 156.9 -90.1 126.5 -1.8 4.5 -4.3 30 31 A H E -I 12 0B 53 -18,-2.3 -18,-3.1 -2,-0.5 2,-0.3 -0.968 45.8 -96.9-142.0 158.8 -1.3 5.5 -0.7 31 32 A P E +I 11 0B 13 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.584 55.1 162.1 -75.5 139.9 -1.4 8.6 1.4 32 33 A G E +I 10 0B 0 -22,-2.9 -22,-2.3 -2,-0.3 4,-0.1 -0.841 22.3 114.7-146.7-174.9 2.0 10.2 2.0 33 34 A G >> - 0 0 7 -2,-0.3 4,-2.5 -24,-0.2 3,-0.5 0.317 62.3-110.4 108.7 120.7 4.1 13.1 3.0 34 35 A A H 3> S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.880 116.1 49.5 -46.1 -49.4 6.2 13.0 6.1 35 36 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.879 112.7 48.7 -65.8 -33.5 4.1 15.5 8.1 36 37 A A H <> S+ 0 0 0 -28,-0.8 4,-2.5 -3,-0.5 -2,-0.2 0.905 112.0 49.5 -64.4 -43.1 1.0 13.6 7.3 37 38 A N H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 250,-0.2 0.895 113.1 45.8 -65.1 -40.5 2.7 10.4 8.3 38 39 A V H X S+ 0 0 1 -4,-2.9 4,-3.1 -5,-0.2 -1,-0.2 0.910 110.2 54.6 -65.8 -42.1 3.8 11.9 11.6 39 40 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.904 109.8 46.6 -59.1 -43.3 0.3 13.4 12.1 40 41 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.927 111.6 51.8 -64.1 -44.1 -1.1 9.9 11.7 41 42 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.930 108.8 50.5 -55.8 -48.8 1.5 8.5 14.1 42 43 A V H <>S+ 0 0 0 -4,-3.1 5,-2.1 1,-0.2 3,-0.2 0.932 112.1 47.4 -54.4 -50.3 0.7 11.1 16.7 43 44 A S H ><5S+ 0 0 15 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.904 109.2 53.8 -57.9 -44.0 -3.0 10.2 16.4 44 45 A R H 3<5S+ 0 0 25 -4,-2.9 246,-2.8 1,-0.3 247,-0.2 0.823 102.7 57.6 -62.8 -31.3 -2.2 6.5 16.7 45 46 A L T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.353 126.8-102.2 -78.3 2.1 -0.3 7.1 19.9 46 47 A G T < 5S+ 0 0 50 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.569 80.9 126.6 92.7 13.6 -3.5 8.7 21.3 47 48 A V < - 0 0 10 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.848 69.8-101.1-109.2 137.8 -2.7 12.3 21.0 48 49 A K E -a 2 0A 127 -47,-0.8 -45,-2.6 -2,-0.4 2,-0.4 -0.362 47.7-170.8 -54.2 124.0 -4.8 15.0 19.2 49 50 A S E -a 3 0A 3 23,-0.5 25,-2.9 -47,-0.2 2,-0.4 -0.985 12.5-175.7-130.9 132.0 -3.2 15.5 15.8 50 51 A S E -ac 4 74A 2 -47,-2.1 -45,-3.3 -2,-0.4 2,-0.5 -0.971 10.2-153.5-128.2 141.9 -3.9 18.2 13.2 51 52 A L E -a 5 0A 0 23,-1.9 2,-0.6 -2,-0.4 26,-0.3 -0.966 0.6-161.1-119.1 127.8 -2.4 18.5 9.8 52 53 A I E +a 6 0A 2 -47,-3.3 -45,-2.1 -2,-0.5 2,-0.3 -0.940 41.8 116.7-104.7 119.5 -2.1 21.8 7.9 53 54 A S E -p 78 0C 0 24,-1.3 26,-2.6 -2,-0.6 2,-0.4 -0.867 53.6-114.2-161.3-169.5 -1.7 21.3 4.3 54 55 A K E +p 79 0C 14 -47,-0.3 -45,-0.4 -2,-0.3 33,-0.4 -0.985 25.5 177.7-149.1 130.2 -3.3 21.8 0.9 55 56 A V E -p 80 0C 0 24,-3.0 26,-3.8 -2,-0.4 2,-0.2 -0.767 36.2 -91.9-122.9 172.1 -4.6 19.4 -1.6 56 57 A G E -p 81 0C 0 -2,-0.3 2,-2.2 24,-0.2 26,-0.2 -0.515 37.3-109.8 -78.5 152.6 -6.3 19.8 -5.0 57 58 A N S S+ 0 0 77 24,-2.2 -1,-0.1 27,-0.4 23,-0.1 -0.589 89.1 102.9 -75.0 75.5 -10.1 19.9 -5.3 58 59 A D S > S- 0 0 9 -2,-2.2 4,-2.4 347,-0.0 3,-0.2 -0.914 92.8 -86.9-153.0 171.4 -9.9 16.5 -6.8 59 60 A P H > S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.805 125.2 53.3 -58.2 -31.7 -10.4 12.8 -6.0 60 61 A F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.880 107.8 50.0 -73.9 -38.2 -6.9 12.5 -4.7 61 62 A G H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.924 112.0 48.3 -60.5 -47.4 -7.4 15.4 -2.3 62 63 A E H X S+ 0 0 61 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.915 110.1 52.7 -59.6 -44.2 -10.6 13.8 -1.1 63 64 A Y H X S+ 0 0 19 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.929 109.3 48.1 -55.1 -51.4 -8.9 10.5 -0.7 64 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 112.3 48.0 -59.7 -45.2 -6.1 12.0 1.5 65 66 A I H X S+ 0 0 33 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.938 113.1 49.3 -61.9 -43.6 -8.5 13.9 3.7 66 67 A E H X S+ 0 0 70 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 111.1 48.6 -62.3 -44.1 -10.7 10.7 4.1 67 68 A E H X S+ 0 0 38 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.882 112.7 48.2 -64.0 -42.3 -7.7 8.5 5.0 68 69 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 3,-1.0 0.943 110.5 51.7 -58.7 -51.2 -6.5 11.1 7.5 69 70 A S H ><5S+ 0 0 67 -4,-3.0 3,-2.2 1,-0.3 -2,-0.2 0.894 104.0 57.2 -52.4 -42.9 -10.0 11.3 9.0 70 71 A K H 3<5S+ 0 0 135 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.797 108.0 48.8 -61.7 -25.0 -10.0 7.5 9.3 71 72 A E T <<5S- 0 0 26 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.307 119.8-113.6 -94.2 5.8 -6.9 7.9 11.4 72 73 A N T < 5 + 0 0 122 -3,-2.2 2,-0.5 1,-0.3 -23,-0.5 0.703 64.3 151.2 67.4 25.4 -8.6 10.6 13.5 73 74 A V < - 0 0 3 -5,-2.2 -1,-0.3 -6,-0.1 -23,-0.2 -0.769 54.6-114.2 -86.7 126.3 -6.3 13.3 12.3 74 75 A D B -c 50 0A 35 -25,-2.9 -23,-1.9 -2,-0.5 3,-0.1 -0.448 34.8-178.4 -59.5 124.1 -8.0 16.7 12.3 75 76 A T > + 0 0 32 -2,-0.2 3,-2.1 -25,-0.2 -1,-0.1 0.330 52.1 103.9-112.6 6.6 -8.3 17.7 8.6 76 77 A R T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -24,-0.0 -24,-0.1 0.828 79.3 56.4 -58.7 -34.8 -9.9 21.1 9.1 77 78 A G T 3 S+ 0 0 1 -26,-0.3 -24,-1.3 -3,-0.1 2,-0.7 0.287 82.2 102.8 -83.3 10.4 -6.6 22.8 8.3 78 79 A I E < -p 53 0C 14 -3,-2.1 -24,-0.2 -26,-0.2 2,-0.2 -0.865 61.8-156.6 -93.8 117.5 -6.3 21.0 5.0 79 80 A V E -p 54 0C 39 -26,-2.6 -24,-3.0 -2,-0.7 2,-0.6 -0.621 10.9-130.3 -93.7 148.3 -7.2 23.5 2.2 80 81 A K E -p 55 0C 84 -2,-0.2 2,-0.5 -26,-0.2 -24,-0.2 -0.906 17.6-145.0-100.5 125.0 -8.5 22.6 -1.2 81 82 A D E -p 56 0C 8 -26,-3.8 -24,-2.2 -2,-0.6 26,-0.1 -0.781 10.4-166.9 -89.4 121.7 -6.7 24.3 -4.1 82 83 A E S S+ 0 0 129 -2,-0.5 -1,-0.1 -26,-0.2 -26,-0.1 0.573 89.5 42.1 -81.2 -11.1 -8.9 25.1 -7.0 83 84 A K S S+ 0 0 165 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.542 110.8 50.9-113.1 -12.0 -5.9 25.9 -9.2 84 85 A K S S- 0 0 53 -29,-0.2 -27,-0.4 26,-0.0 -3,-0.2 -0.950 76.9-122.2-129.2 148.9 -3.4 23.1 -8.4 85 86 A H - 0 0 39 20,-0.5 22,-2.9 -2,-0.4 23,-0.2 -0.483 43.7 -79.9 -85.6 160.4 -3.8 19.3 -8.3 86 87 A T - 0 0 0 20,-0.2 -1,-0.1 -2,-0.2 -31,-0.1 -0.277 59.0 -92.2 -56.5 137.4 -3.1 17.2 -5.3 87 88 A G E -j 10 0B 0 -78,-0.6 -76,-2.9 -33,-0.4 2,-0.4 -0.208 47.7-174.7 -48.2 139.6 0.5 16.4 -4.6 88 89 A I E -j 11 0B 0 15,-0.4 15,-2.2 -78,-0.2 2,-0.4 -0.992 11.2-177.1-138.7 144.4 1.8 13.2 -6.2 89 90 A V E -jL 12 102B 8 -78,-2.5 -76,-3.6 -2,-0.4 2,-0.5 -0.982 18.5-144.8-139.3 136.2 5.0 11.4 -6.0 90 91 A F E -jL 13 101B 0 11,-2.7 11,-2.8 -2,-0.4 2,-0.4 -0.882 29.5-166.1 -96.7 127.9 6.1 8.2 -7.8 91 92 A V E -jL 14 100B 12 -78,-2.9 -76,-2.9 -2,-0.5 2,-0.6 -0.946 27.8-167.3-128.0 132.4 8.3 6.2 -5.5 92 93 A Q E + L 0 99B 5 7,-3.7 7,-1.6 -2,-0.4 -71,-0.1 -0.952 16.3 169.9-110.7 107.7 10.6 3.3 -5.9 93 94 A L + 0 0 71 -2,-0.6 -1,-0.1 -78,-0.3 2,-0.1 0.701 51.9 82.0 -86.4 -21.9 11.3 2.1 -2.4 94 95 A K S S+ 0 0 77 -77,-0.2 3,-0.2 -75,-0.1 5,-0.2 -0.335 70.1 35.7 -88.9 164.8 13.1 -1.1 -3.4 95 96 A G S S- 0 0 48 1,-0.2 -3,-0.0 3,-0.1 -77,-0.0 -0.110 97.9 -65.5 86.4 173.9 16.7 -1.8 -4.5 96 97 A A S S+ 0 0 106 1,-0.3 -1,-0.2 2,-0.0 -2,-0.0 0.778 128.2 43.0 -69.8 -29.3 20.0 -0.3 -3.5 97 98 A S S S- 0 0 105 -3,-0.2 -1,-0.3 2,-0.0 -3,-0.1 -0.716 79.9-160.2-123.1 77.5 19.2 3.1 -4.9 98 99 A P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.280 17.3-171.2 -60.2 142.7 15.6 4.1 -4.0 99 100 A S E -L 92 0B 41 -7,-1.6 -7,-3.7 -5,-0.2 2,-0.3 -0.849 14.9-168.6-135.7 164.5 14.2 6.8 -6.2 100 101 A F E -L 91 0B 61 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.987 17.7-148.6-150.3 158.4 11.2 9.1 -6.6 101 102 A L E -L 90 0B 11 -11,-2.8 -11,-2.7 -2,-0.3 2,-0.5 -0.923 24.6-168.6-129.9 103.6 9.7 11.5 -9.1 102 103 A L E -L 89 0B 16 -2,-0.5 2,-0.5 -13,-0.2 -13,-0.2 -0.842 16.9-138.7 -99.4 128.4 7.9 14.2 -7.2 103 104 A Y - 0 0 5 -15,-2.2 -15,-0.4 -2,-0.5 3,-0.1 -0.776 19.0-171.1 -87.4 120.9 5.6 16.6 -9.0 104 105 A D + 0 0 26 -2,-0.5 2,-1.9 1,-0.2 5,-0.1 0.717 67.0 74.2 -96.6 -22.1 6.3 20.0 -7.7 105 106 A D S S+ 0 0 54 304,-0.3 -20,-0.5 3,-0.1 2,-0.3 -0.506 78.6 120.4 -93.5 75.8 3.6 22.2 -9.2 106 107 A V S > S- 0 0 2 -2,-1.9 3,-1.2 -22,-0.2 4,-0.3 -0.784 77.6 -92.9-135.2 171.2 1.0 20.8 -6.9 107 108 A A G > S+ 0 0 0 -22,-2.9 3,-2.0 1,-0.3 -52,-0.2 0.809 114.4 58.7 -64.0 -38.2 -1.3 22.1 -4.2 108 109 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.4 -99,-0.3 -1,-0.3 0.722 104.8 53.3 -70.4 -17.7 0.8 21.6 -1.1 109 110 A F G < S+ 0 0 6 -3,-1.2 30,-2.0 1,-0.2 -1,-0.3 0.460 98.9 68.6 -88.4 -2.3 3.5 23.9 -2.5 110 111 A N < + 0 0 39 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.2 -0.067 66.3 138.9-108.8 29.9 0.8 26.6 -3.1 111 112 A X - 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0 0 17 28,-0.4 2,-0.4 1,-0.2 -29,-0.1 0.825 25.0-153.1 32.9 62.1 14.3 15.2 5.7 162 163 A L + 0 0 21 -31,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.517 24.5 179.4 -80.9 126.1 16.7 16.4 3.0 163 164 A R > - 0 0 97 -2,-0.4 3,-2.3 -3,-0.2 4,-0.3 -0.833 5.9-172.3-123.9 87.3 15.8 15.8 -0.6 164 165 A L G > S+ 0 0 85 -2,-0.5 3,-2.0 1,-0.3 -1,-0.1 0.794 81.4 65.2 -50.9 -35.9 18.6 17.3 -2.7 165 166 A D G > S+ 0 0 82 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.744 95.3 59.5 -62.4 -23.0 16.7 16.7 -5.9 166 167 A L G < S+ 0 0 9 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.541 107.4 46.6 -81.8 -6.5 14.0 19.2 -4.7 167 168 A W G X S+ 0 0 1 -3,-2.0 3,-2.2 -4,-0.3 -1,-0.2 0.161 71.0 143.1-122.6 17.9 16.6 21.9 -4.5 168 169 A R T < S+ 0 0 164 -3,-0.7 -3,-0.0 1,-0.3 -4,-0.0 -0.392 78.4 16.0 -66.9 137.4 18.6 21.8 -7.7 169 170 A G T 3 S+ 0 0 74 -2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.331 124.7 63.7 81.5 -6.7 19.5 25.3 -9.0 170 171 A Q <> + 0 0 44 -3,-2.2 4,-2.6 2,-0.1 -2,-0.2 -0.036 54.1 131.3-137.3 34.8 18.7 26.7 -5.5 171 172 A E H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.809 76.7 52.1 -60.4 -31.5 21.2 25.0 -3.3 172 173 A E H > S+ 0 0 156 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.895 109.4 48.2 -74.0 -39.6 22.1 28.3 -1.7 173 174 A E H > S+ 0 0 84 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.902 110.6 54.4 -62.4 -38.7 18.5 29.1 -0.9 174 175 A X H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.913 106.7 48.1 -61.1 -49.5 18.2 25.6 0.5 175 176 A I H X S+ 0 0 27 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.874 114.0 49.1 -60.2 -38.4 21.1 26.0 2.9 176 177 A K H X S+ 0 0 112 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.934 114.8 42.2 -67.1 -47.5 19.7 29.3 4.0 177 178 A V H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.875 114.5 51.3 -71.5 -36.7 16.1 28.0 4.6 178 179 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.930 112.3 46.8 -63.7 -45.0 17.4 24.8 6.3 179 180 A E H X S+ 0 0 56 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.926 112.8 48.8 -62.6 -43.8 19.5 26.8 8.6 180 181 A E H X S+ 0 0 91 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.913 113.7 47.4 -63.0 -39.8 16.7 29.3 9.4 181 182 A S H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.892 111.9 48.8 -65.0 -45.4 14.4 26.3 10.1 182 183 A I H >< S+ 0 0 3 -4,-2.7 3,-0.8 1,-0.2 26,-0.2 0.935 110.1 52.2 -62.0 -44.4 16.9 24.5 12.3 183 184 A K H 3< S+ 0 0 155 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.778 111.0 48.3 -63.4 -26.5 17.5 27.8 14.2 184 185 A L H 3< S+ 0 0 25 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.3 0.672 96.7 95.4 -83.6 -18.5 13.7 28.1 14.8 185 186 A A << - 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