==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-MAR-04 1SPQ . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR I.KURSULA,M.SALIN,J.SUN,B.V.NORLEDGE,A.M.HAAPALAINEN,N.S.SAM . 482 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 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 . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 0 8 4 2 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 4 2 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 R 0 0 113 0, 0.0 2,-0.3 0, 0.0 199,-0.1 0.000 360.0 360.0 360.0 113.0 17.7 -27.1 45.3 2 5 A K - 0 0 108 1,-0.1 32,-0.1 32,-0.0 199,-0.0 -0.495 360.0-108.2 -71.0 127.6 21.0 -25.1 45.5 3 6 A F E -a 34 0A 12 30,-0.7 32,-2.8 -2,-0.3 2,-0.4 -0.267 38.0-158.7 -55.1 135.0 20.7 -21.7 47.3 4 7 A F E -ab 35 224A 0 219,-2.1 221,-1.7 30,-0.2 2,-0.4 -0.978 15.6-179.8-129.9 128.1 20.9 -18.8 44.8 5 8 A V E -ab 36 225A 0 30,-2.4 32,-2.0 -2,-0.4 2,-0.3 -0.953 4.5-177.4-131.0 111.3 21.9 -15.1 45.5 6 9 A G E -ab 37 226A 1 219,-2.7 221,-2.8 -2,-0.4 2,-0.5 -0.834 14.3-149.0-101.3 149.0 21.9 -12.4 42.7 7 10 A G E -ab 38 227A 2 30,-2.1 32,-3.0 -2,-0.3 2,-0.8 -0.959 5.1-158.6-121.3 112.5 23.0 -8.7 43.2 8 11 A N E -a 39 0A 3 219,-2.8 223,-0.2 -2,-0.5 32,-0.1 -0.799 8.8-176.4 -94.4 103.5 21.3 -6.1 41.0 9 12 A W - 0 0 3 30,-2.0 -1,-0.1 -2,-0.8 31,-0.1 0.657 20.1-170.7 -72.9 -17.6 23.5 -2.9 40.9 10 13 A K - 0 0 40 29,-0.4 2,-1.5 1,-0.2 -1,-0.2 -0.222 60.4 -20.1 54.6-148.0 20.9 -1.0 38.7 11 14 A M B S+I 316 0B 0 305,-1.5 305,-1.7 29,-0.1 2,-0.3 -0.541 108.8 109.7 -89.9 70.5 22.2 2.4 37.3 12 15 A N + 0 0 36 -2,-1.5 303,-0.1 303,-0.2 2,-0.1 -0.981 43.6 42.0-141.8 151.1 25.1 2.9 39.8 13 16 A G - 0 0 25 -2,-0.3 2,-0.3 4,-0.0 3,-0.0 -0.034 44.2-136.6 108.2 156.0 28.9 2.9 39.8 14 17 A D > - 0 0 64 -2,-0.1 4,-2.5 315,-0.0 5,-0.4 -0.817 47.5 -85.4-132.9-178.4 32.0 3.9 37.8 15 18 A K H > S+ 0 0 66 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.912 126.5 48.0 -58.7 -42.1 35.2 2.0 37.1 16 19 A K H > S+ 0 0 146 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.972 116.0 40.0 -58.4 -60.7 36.8 3.0 40.4 17 20 A S H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.885 117.3 47.1 -65.2 -43.4 33.8 2.2 42.7 18 21 A L H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.843 108.9 56.9 -66.5 -34.1 32.7 -1.1 41.0 19 22 A G H X S+ 0 0 25 -4,-1.8 4,-1.7 -5,-0.4 -2,-0.2 0.890 107.5 48.3 -57.1 -41.6 36.4 -2.2 41.0 20 23 A E H X S+ 0 0 100 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.916 109.9 51.3 -67.6 -44.7 36.5 -1.8 44.8 21 24 A L H X S+ 0 0 24 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.891 110.2 49.1 -55.5 -46.9 33.3 -3.8 45.3 22 25 A I H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 31,-0.2 0.855 108.1 54.1 -64.9 -39.0 34.6 -6.7 43.1 23 26 A H H X S+ 0 0 144 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.917 107.0 51.3 -60.9 -46.2 37.9 -6.8 45.0 24 27 A T H X S+ 0 0 74 -4,-2.0 4,-0.7 1,-0.2 3,-0.2 0.928 111.8 47.4 -56.2 -46.2 35.9 -7.1 48.3 25 28 A L H >< S+ 0 0 7 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.895 108.5 53.7 -66.1 -41.2 33.9 -10.0 46.9 26 29 A N H 3< S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 113.7 43.6 -59.9 -33.6 36.9 -11.9 45.5 27 30 A G H 3< S+ 0 0 72 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.484 95.1 99.4 -93.2 -5.6 38.6 -11.8 48.9 28 31 A A S << S- 0 0 33 -3,-0.7 2,-0.9 -4,-0.7 -3,-0.0 -0.355 80.5-107.5 -82.8 160.5 35.6 -12.7 51.2 29 32 A K - 0 0 190 -2,-0.1 2,-0.4 212,-0.0 -1,-0.1 -0.806 45.5-176.9 -85.1 104.7 34.7 -16.1 52.7 30 33 A L - 0 0 50 -2,-0.9 208,-0.1 -5,-0.1 211,-0.1 -0.903 31.3-104.0-110.6 130.3 31.7 -17.2 50.6 31 34 A S > - 0 0 21 -2,-0.4 3,-1.4 1,-0.1 -1,-0.0 -0.212 18.4-140.0 -54.3 133.5 29.7 -20.4 51.3 32 35 A A T 3 S+ 0 0 90 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.692 100.7 61.3 -67.5 -19.4 30.4 -23.3 48.8 33 36 A D T 3 S+ 0 0 121 2,-0.0 -30,-0.7 -31,-0.0 2,-0.5 0.243 88.1 87.5 -92.9 9.3 26.7 -24.1 48.8 34 37 A T E < -a 3 0A 15 -3,-1.4 2,-0.7 -32,-0.1 -30,-0.2 -0.963 66.8-146.3-112.2 126.3 25.6 -20.7 47.4 35 38 A E E -a 4 0A 56 -32,-2.8 -30,-2.4 -2,-0.5 2,-0.4 -0.830 25.9-161.6 -83.1 113.4 25.4 -19.9 43.6 36 39 A V E +a 5 0A 11 -2,-0.7 21,-2.8 19,-0.4 2,-0.3 -0.827 14.2 177.4-107.4 135.1 26.3 -16.2 43.3 37 40 A V E -ac 6 57A 3 -32,-2.0 -30,-2.1 -2,-0.4 2,-0.5 -0.999 14.9-151.4-137.2 134.4 25.6 -13.8 40.3 38 41 A C E -ac 7 58A 1 19,-2.5 21,-2.6 -2,-0.3 2,-0.8 -0.909 6.7-151.6-108.5 126.9 26.3 -10.1 39.8 39 42 A G E -ac 8 59A 1 -32,-3.0 -30,-2.0 -2,-0.5 -29,-0.4 -0.816 22.8-176.5-100.8 103.3 24.1 -7.8 37.6 40 43 A A - 0 0 0 19,-1.1 21,-0.5 -2,-0.8 5,-0.1 -0.557 34.1 -91.0-100.4 155.7 26.1 -4.9 36.1 41 44 A P > - 0 0 1 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.337 44.1-113.6 -56.7 148.0 25.3 -1.9 33.9 42 45 A S G > S+ 0 0 20 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.857 114.9 59.7 -59.0 -37.1 25.8 -2.8 30.2 43 46 A I G 3 S+ 0 0 7 1,-0.3 250,-0.3 2,-0.1 -1,-0.3 0.641 113.0 38.4 -66.3 -17.2 28.7 -0.3 29.8 44 47 A Y G <> S+ 0 0 1 -3,-1.9 4,-2.2 2,-0.1 -1,-0.3 0.179 84.0 103.4-117.0 12.8 30.6 -2.2 32.5 45 48 A L H <> S+ 0 0 0 -3,-1.4 4,-1.9 -4,-0.3 5,-0.2 0.910 84.5 44.7 -66.5 -45.7 29.7 -5.9 31.7 46 49 A D H > S+ 0 0 25 -4,-0.4 4,-2.1 244,-0.3 -1,-0.2 0.944 113.7 51.6 -61.9 -51.0 33.0 -6.8 30.1 47 50 A F H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.898 109.6 50.3 -46.9 -50.1 35.0 -5.1 32.9 48 51 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.883 109.8 48.4 -63.6 -42.4 33.1 -7.0 35.5 49 52 A R H < S+ 0 0 56 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 110.6 52.5 -68.4 -36.2 33.7 -10.5 34.0 50 53 A Q H < S+ 0 0 128 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.886 117.9 37.1 -60.6 -39.2 37.4 -9.7 33.6 51 54 A K H < S+ 0 0 113 -4,-1.7 2,-0.2 -5,-0.2 -2,-0.2 0.757 98.3 86.9 -92.5 -28.8 37.7 -8.8 37.3 52 55 A L S < S- 0 0 10 -4,-2.3 -29,-0.1 -5,-0.2 6,-0.0 -0.518 85.6-100.7 -78.4 140.7 35.4 -11.2 39.1 53 56 A D > - 0 0 73 -31,-0.2 3,-2.0 -2,-0.2 -1,-0.1 -0.270 34.2-118.1 -49.2 138.5 36.4 -14.8 40.3 54 57 A A T 3 S+ 0 0 92 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.684 110.5 66.6 -61.7 -23.2 35.2 -17.5 37.9 55 58 A K T 3 S+ 0 0 191 2,-0.1 2,-0.4 -20,-0.0 -19,-0.4 0.702 92.3 75.0 -69.3 -21.0 33.0 -19.1 40.5 56 59 A I S < S- 0 0 10 -3,-2.0 -19,-0.2 -21,-0.1 2,-0.1 -0.825 79.9-137.7 -96.9 131.8 30.9 -16.0 40.5 57 60 A G E -c 37 0A 15 -21,-2.8 -19,-2.5 -2,-0.4 2,-0.4 -0.378 6.2-139.5 -84.5 163.8 28.5 -15.4 37.6 58 61 A V E -c 38 0A 1 -21,-0.2 29,-1.5 26,-0.1 28,-0.9 -0.992 16.2-168.1-126.0 135.1 27.7 -12.2 35.6 59 62 A A E -cd 39 87A 1 -21,-2.6 -19,-1.1 -2,-0.4 29,-0.3 -0.957 19.3-131.6-123.2 137.9 24.3 -11.0 34.4 60 63 A A E - d 0 88A 1 27,-1.9 29,-2.2 -2,-0.4 3,-0.1 -0.481 19.2-135.5 -70.2 155.5 23.1 -8.3 32.0 61 64 A Q S S- 0 0 6 -21,-0.5 2,-0.3 1,-0.3 31,-0.2 0.458 80.9 -7.3 -93.6 -6.1 20.2 -6.2 33.4 62 65 A N - 0 0 18 28,-0.1 2,-0.3 258,-0.1 -1,-0.3 -0.931 61.5-179.0-175.8 157.0 18.2 -6.3 30.1 63 66 A C - 0 0 1 -2,-0.3 13,-0.2 -3,-0.1 2,-0.1 -0.958 25.1-109.3-155.3 176.1 18.4 -7.5 26.5 64 67 A Y - 0 0 17 11,-2.1 49,-0.0 -2,-0.3 -2,-0.0 -0.377 29.7-109.7-103.8-174.3 16.4 -7.6 23.2 65 68 A K S S+ 0 0 64 -2,-0.1 11,-0.1 11,-0.1 3,-0.0 0.283 89.9 50.0-111.4 6.8 14.7 -10.5 21.4 66 69 A V S S- 0 0 54 1,-0.0 -2,-0.2 3,-0.0 12,-0.1 -0.932 80.6-117.0-132.8 164.8 16.8 -11.0 18.1 67 70 A P S S- 0 0 59 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.788 88.0 -7.1 -72.3 -27.8 20.6 -11.4 17.6 68 71 A K S S+ 0 0 143 191,-0.1 2,-0.3 7,-0.1 191,-0.2 -0.979 75.9 95.0-159.4 164.1 21.1 -8.2 15.5 69 72 A G B S-J 258 0C 21 189,-2.0 2,-1.8 -2,-0.3 189,-1.7 -0.910 72.1 -27.4 145.7-166.0 19.3 -5.3 13.6 70 73 A A S S+ 0 0 48 -2,-0.3 2,-0.3 187,-0.2 187,-0.1 -0.474 77.3 122.8 -86.9 67.2 18.0 -1.7 13.6 71 74 A F > - 0 0 47 -2,-1.8 3,-2.2 3,-0.1 -1,-0.1 -0.675 49.2-155.8-131.1 71.3 17.4 -1.2 17.3 72 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.3 -2,-0.1 -0.273 80.2 22.6 -49.1 125.0 19.5 1.9 18.3 73 76 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.3 236,-0.1 2,-0.2 0.279 103.5 105.5 96.2 -7.6 20.3 1.7 22.0 74 77 A E < - 0 0 12 -3,-2.2 -1,-0.3 234,-0.1 2,-0.3 -0.593 49.5-154.3-105.3 162.6 19.8 -2.1 22.5 75 78 A I - 0 0 11 -2,-0.2 -11,-2.1 213,-0.1 -7,-0.1 -0.934 12.3-138.0-128.6 159.6 22.0 -5.2 23.0 76 79 A S >> - 0 0 1 -2,-0.3 4,-1.7 -13,-0.2 3,-0.5 -0.716 26.9-110.4-113.8 162.3 21.5 -9.0 22.3 77 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.839 117.6 60.7 -55.0 -35.8 22.2 -12.4 24.0 78 81 A A H 3> S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -10,-0.1 0.873 105.4 47.8 -58.3 -40.3 24.9 -13.1 21.3 79 82 A M H <> S+ 0 0 4 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.886 110.3 51.5 -67.2 -40.9 26.8 -9.9 22.6 80 83 A I H <>S+ 0 0 0 -4,-1.7 5,-2.0 1,-0.2 4,-0.2 0.909 111.9 45.6 -65.0 -44.0 26.4 -11.0 26.3 81 84 A K H ><5S+ 0 0 99 -4,-2.4 3,-1.1 3,-0.2 -1,-0.2 0.856 106.0 63.0 -62.6 -37.1 27.8 -14.5 25.6 82 85 A D H 3<5S+ 0 0 63 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.846 104.8 44.4 -59.6 -39.0 30.6 -12.9 23.5 83 86 A I T 3<5S- 0 0 11 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.399 125.6-103.6 -89.5 2.0 32.0 -11.0 26.5 84 87 A G T < 5S+ 0 0 43 -3,-1.1 2,-0.2 1,-0.3 -3,-0.2 0.520 72.2 138.4 96.6 10.9 31.7 -14.2 28.6 85 88 A A < - 0 0 3 -5,-2.0 -1,-0.3 1,-0.1 -26,-0.1 -0.635 33.8-164.5 -86.0 148.7 28.5 -13.6 30.8 86 89 A A + 0 0 56 -28,-0.9 33,-2.7 -2,-0.2 2,-0.3 0.405 60.5 56.4-114.1 -2.4 26.1 -16.5 31.3 87 90 A W E -de 59 119A 27 -29,-1.5 -27,-1.9 31,-0.2 2,-0.3 -0.916 49.7-166.7-132.3 157.8 22.9 -14.8 32.6 88 91 A V E -de 60 120A 0 31,-1.4 33,-2.3 -2,-0.3 2,-0.5 -0.988 18.6-137.2-141.7 139.3 20.3 -12.1 31.9 89 92 A I E - e 0 121A 3 -29,-2.2 2,-0.3 -2,-0.3 33,-0.2 -0.821 29.9-174.9 -87.5 128.4 17.7 -10.5 34.2 90 93 A L E + e 0 122A 2 31,-2.3 33,-2.5 -2,-0.5 -28,-0.1 -0.971 54.2 16.5-133.7 144.0 14.3 -10.0 32.4 91 94 A G S S+ 0 0 1 -2,-0.3 -1,-0.1 31,-0.2 -29,-0.1 0.708 71.8 175.8 69.9 25.0 11.0 -8.4 33.3 92 95 A H >> - 0 0 6 -31,-0.2 4,-2.0 1,-0.1 3,-0.9 -0.290 42.5-113.4 -56.1 144.7 12.3 -6.3 36.2 93 96 A S H 3> S+ 0 0 14 1,-0.3 4,-2.7 2,-0.2 5,-0.4 0.804 116.3 55.3 -54.0 -35.2 9.6 -4.0 37.7 94 97 A E H 3>>S+ 0 0 23 2,-0.2 4,-1.5 1,-0.2 5,-1.4 0.852 107.6 49.3 -69.6 -34.2 11.5 -0.8 36.5 95 98 A R H <45S+ 0 0 12 -3,-0.9 6,-1.8 3,-0.2 4,-0.3 0.933 116.4 43.5 -63.7 -46.0 11.5 -2.1 32.9 96 99 A R H <5S+ 0 0 19 -4,-2.0 4,-0.4 4,-0.2 -2,-0.2 0.931 126.8 26.0 -65.0 -47.5 7.7 -2.9 33.1 97 100 A H H <5S+ 0 0 82 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.719 128.6 34.9-103.8 -26.5 6.5 0.3 34.9 98 101 A V T <5S+ 0 0 74 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.830 133.4 27.6 -87.5 -42.6 9.0 3.1 34.1 99 102 A F S - 0 0 61 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.377 18.9-114.4 -83.7 159.6 4.7 -5.7 28.0 103 106 A D H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.855 117.0 55.2 -55.0 -39.7 4.2 -9.4 29.1 104 107 A E H > S+ 0 0 146 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 109.6 45.2 -63.7 -43.6 4.3 -10.4 25.4 105 108 A L H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.899 112.3 51.0 -66.5 -44.8 7.7 -8.7 24.7 106 109 A I H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.906 109.6 51.8 -60.2 -42.1 9.2 -10.2 27.9 107 110 A G H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.891 108.2 50.1 -61.9 -44.1 8.0 -13.7 26.9 108 111 A Q H X S+ 0 0 74 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.869 110.4 52.0 -59.1 -39.2 9.7 -13.3 23.4 109 112 A K H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.899 107.6 51.2 -64.0 -44.5 12.9 -12.2 25.2 110 113 A V H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.914 109.5 49.9 -59.1 -46.7 12.9 -15.3 27.5 111 114 A A H X S+ 0 0 36 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.877 113.9 45.7 -61.1 -39.6 12.5 -17.7 24.5 112 115 A H H X S+ 0 0 30 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.921 111.1 50.6 -71.1 -47.4 15.4 -16.1 22.6 113 116 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.2 0.913 113.4 45.8 -58.5 -43.4 17.8 -15.9 25.6 114 117 A L H ><5S+ 0 0 38 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.875 111.1 51.4 -68.8 -39.8 17.3 -19.6 26.4 115 118 A A H 3<5S+ 0 0 83 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 107.7 54.8 -64.1 -32.5 17.6 -20.8 22.8 116 119 A E T 3<5S- 0 0 56 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.458 125.5-101.8 -81.7 -3.7 20.9 -18.8 22.6 117 120 A G T < 5S+ 0 0 48 -3,-1.0 2,-0.2 1,-0.3 -3,-0.2 0.572 76.4 130.2 96.4 11.3 22.3 -20.7 25.6 118 121 A L < - 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