==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-FEB-09 3GAA . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN TA1441; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR R.ZHANG,M.BOROVILOS,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR . 1213 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 886 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 77 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.0 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 1 0 0 1 3 1 0 6 4 3 7 0 0 0 0 0 0 0 0 0 4 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 0 4 2 4 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 5 5 5 5 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 5 0 0 0 0 5 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 4 A M 0 0 196 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.2 42.8 94.9 141.3 2 5 A I + 0 0 157 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.700 360.0 157.6-108.2 78.0 43.2 97.9 143.6 3 6 A M - 0 0 115 -2,-1.1 2,-0.5 0, 0.0 0, 0.0 -0.322 48.8-118.1 -93.1 167.6 42.0 100.7 141.2 4 7 A V - 0 0 137 -2,-0.1 2,-0.5 2,-0.0 -2,-0.0 -0.992 37.0-152.5-103.0 123.2 40.6 104.1 141.6 5 8 A N - 0 0 49 -2,-0.5 2,-0.2 2,-0.0 5,-0.1 -0.854 2.3-140.1-110.8 124.0 37.2 103.9 140.1 6 9 A K > - 0 0 138 -2,-0.5 3,-0.8 3,-0.1 7,-0.2 -0.521 14.9-126.0 -86.7 150.4 35.6 107.0 138.6 7 10 A K T 3 S+ 0 0 150 1,-0.2 3,-0.4 -2,-0.2 -1,-0.1 0.702 103.5 50.8 -76.1 -20.3 31.9 107.7 139.0 8 11 A A T 3 S+ 0 0 98 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.646 111.2 47.7 -85.9 -16.2 31.0 108.1 135.3 9 12 A S X> + 0 0 39 -3,-0.8 4,-1.9 1,-0.1 3,-1.0 -0.021 67.9 118.0-120.3 27.7 32.5 104.8 134.2 10 13 A E H 3> S+ 0 0 81 -3,-0.4 4,-2.1 1,-0.2 6,-0.4 0.950 74.6 57.8 -64.6 -45.5 31.2 102.4 136.8 11 14 A S H 34>S+ 0 0 23 1,-0.2 5,-0.8 -3,-0.2 6,-0.4 0.669 112.1 44.5 -56.5 -16.1 29.3 100.3 134.1 12 15 A Q H <45S+ 0 0 137 -3,-1.0 3,-0.4 3,-0.2 -1,-0.2 0.802 110.5 47.3-105.4 -37.0 32.7 99.9 132.3 13 16 A V H <5S+ 0 0 51 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.837 124.6 38.9 -60.0 -33.6 35.1 99.0 135.3 14 17 A M T <5S- 0 0 98 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.285 100.7-123.9-105.3 2.9 32.4 96.6 136.3 15 18 A E T 5 + 0 0 150 -3,-0.4 3,-0.4 1,-0.1 -3,-0.2 0.819 68.2 140.1 50.7 32.7 30.9 95.0 133.1 16 19 A L > < + 0 0 57 -5,-0.8 3,-0.9 -6,-0.4 4,-0.4 -0.021 17.4 122.1-102.3 27.8 27.7 96.4 134.6 17 20 A E G > + 0 0 40 -6,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.752 58.6 63.1 -79.1 -33.7 26.3 97.5 131.3 18 21 A K G > S+ 0 0 49 95,-0.6 3,-1.6 -3,-0.4 5,-0.3 0.815 92.2 75.4 -49.7 -33.3 22.9 95.6 131.1 19 22 A R G < S+ 0 0 192 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.846 94.2 44.0 -56.1 -44.3 22.0 97.7 134.2 20 23 A N G < S+ 0 0 85 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.3 -0.126 104.9 77.5 -97.9 38.4 21.4 101.0 132.4 21 24 A Y < - 0 0 20 -3,-1.6 2,-1.6 64,-0.0 63,-0.1 -0.949 69.6-144.0-144.8 125.8 19.4 99.3 129.5 22 25 A N - 0 0 110 62,-0.9 93,-0.1 61,-0.6 -3,-0.1 -0.608 67.5 -73.2 -90.3 71.7 15.8 98.2 129.7 23 26 A N S S- 0 0 103 -2,-1.6 94,-0.4 -5,-0.3 62,-0.1 0.721 70.3-151.7 57.0 47.6 16.1 95.1 127.5 24 27 A P - 0 0 0 0, 0.0 93,-2.1 0, 0.0 94,-0.6 0.119 15.8-131.4 -72.3 154.3 16.5 96.8 124.1 25 28 A V E -ab 86 118A 12 60,-2.4 62,-2.1 91,-0.2 2,-0.6 -0.915 29.2-144.7 -95.5 129.5 15.6 95.7 120.6 26 29 A V E -ab 87 119A 0 92,-2.6 94,-3.2 -2,-0.5 2,-0.4 -0.854 13.3-167.1-106.1 121.1 18.5 96.3 118.4 27 30 A L E -ab 88 120A 1 60,-2.8 62,-2.5 -2,-0.6 2,-0.4 -0.867 10.8-159.5-105.8 135.8 18.1 97.4 114.7 28 31 A C E -ab 89 121A 0 92,-2.4 94,-2.7 -2,-0.4 2,-0.4 -0.924 15.3-179.5-122.1 145.2 21.1 97.3 112.3 29 32 A G E +a 90 0A 0 60,-1.9 62,-2.5 -2,-0.4 2,-0.3 -0.979 9.5 179.9-140.2 122.4 22.0 98.9 109.0 30 33 A F - 0 0 21 92,-0.5 2,-1.7 -2,-0.4 8,-0.6 -0.728 42.1-101.8-119.1 169.0 25.2 98.3 107.0 31 34 A A + 0 0 24 62,-0.4 64,-0.1 60,-0.3 61,-0.1 -0.577 67.6 143.3 -92.8 70.9 26.5 99.6 103.8 32 35 A G - 0 0 54 -2,-1.7 -1,-0.0 2,-0.4 91,-0.0 0.392 67.8 -56.9 -86.5-141.7 25.7 96.5 101.7 33 36 A S S S+ 0 0 90 91,-0.2 92,-0.1 2,-0.0 90,-0.0 0.980 125.2 39.2 -67.7 -73.8 24.5 96.3 98.0 34 37 A T S S- 0 0 9 90,-0.5 -2,-0.4 1,-0.1 3,-0.2 -0.206 81.8-133.1 -63.4 160.5 21.4 98.4 98.4 35 38 A P S > S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.348 80.0 103.4 -88.0 3.2 21.6 101.5 100.6 36 39 A T H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.808 71.4 55.5 -71.5 -30.1 18.3 100.7 102.3 37 40 A G H > S+ 0 0 2 -7,-0.2 4,-2.9 -3,-0.2 -1,-0.2 0.956 113.5 40.5 -58.5 -51.4 19.7 99.3 105.6 38 41 A V H > S+ 0 0 6 -8,-0.6 4,-3.1 1,-0.2 5,-0.2 0.863 114.1 55.1 -67.9 -34.9 21.7 102.5 106.4 39 42 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.925 111.3 43.3 -64.9 -42.1 18.9 104.6 105.1 40 43 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.981 113.6 52.0 -62.9 -51.2 16.5 102.9 107.6 41 44 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.932 114.3 43.4 -48.0 -57.7 19.1 103.1 110.4 42 45 A S H X S+ 0 0 13 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.909 112.6 52.1 -57.8 -49.2 19.5 106.8 109.8 43 46 A Y H X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.946 112.8 43.2 -49.5 -53.7 15.8 107.5 109.4 44 47 A I H X S+ 0 0 1 -4,-3.1 4,-3.5 1,-0.2 5,-0.4 0.910 110.2 56.4 -71.3 -37.0 14.9 105.8 112.7 45 48 A V H X>S+ 0 0 17 -4,-2.5 5,-2.3 -5,-0.3 4,-0.6 0.952 115.1 40.0 -51.0 -53.2 17.8 107.4 114.6 46 49 A E H <5S+ 0 0 110 -4,-2.6 3,-0.4 -5,-0.2 -2,-0.2 0.935 117.0 48.3 -62.6 -45.8 16.5 110.8 113.5 47 50 A T H <5S+ 0 0 25 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.841 114.3 42.7 -80.2 -25.1 12.8 110.0 114.0 48 51 A L H <5S- 0 0 56 -4,-3.5 34,-0.3 -5,-0.2 -1,-0.3 0.593 108.4-126.9 -88.1 -3.0 13.0 108.4 117.5 49 52 A G T <5 - 0 0 52 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.1 0.949 43.6-178.4 65.2 44.7 15.4 111.3 118.3 50 53 A M < - 0 0 18 -5,-2.3 2,-0.3 -6,-0.3 31,-0.3 -0.304 16.3-135.9 -79.0 168.1 17.9 108.8 119.5 51 54 A H E -C 80 0A 77 29,-2.7 29,-2.2 -2,-0.0 2,-0.1 -0.848 25.9 -92.9-127.6 152.5 21.2 109.8 121.0 52 55 A Q E +C 79 0A 80 -2,-0.3 27,-0.2 27,-0.2 3,-0.1 -0.445 45.6 161.3 -72.8 142.8 24.8 108.5 120.5 53 56 A V E + 0 0 47 25,-2.4 2,-0.3 1,-0.4 26,-0.2 0.550 56.0 2.5-135.7 -23.6 25.9 105.9 122.9 54 57 A A E -C 78 0A 19 24,-1.4 24,-2.3 2,-0.0 -1,-0.4 -0.991 49.0-143.0-165.3 154.0 28.9 103.9 121.6 55 58 A H E -C 77 0A 49 -2,-0.3 2,-0.7 22,-0.2 22,-0.2 -0.952 21.3-132.2-119.1 152.1 31.3 103.6 118.7 56 59 A L - 0 0 8 20,-1.3 2,-0.3 -2,-0.3 20,-0.2 -0.937 27.3-163.1-104.2 111.3 32.7 100.3 117.3 57 60 A I + 0 0 87 -2,-0.7 2,-0.3 1092,-0.0 3,-0.1 -0.770 22.6 143.1 -94.5 139.2 36.4 100.7 117.0 58 61 A S > - 0 0 14 -2,-0.3 3,-1.4 3,-0.1 -2,-0.0 -0.876 57.1-125.7-176.9 143.8 38.5 98.3 114.9 59 62 A Q T 3 S+ 0 0 117 -2,-0.3 1017,-0.1 1,-0.3 1018,-0.1 0.709 109.2 60.9 -61.3 -17.5 41.4 97.9 112.6 60 63 A H T 3 S+ 0 0 40 2,-0.1 36,-0.3 39,-0.1 -1,-0.3 0.152 81.0 86.4-107.1 23.0 39.0 96.4 110.1 61 64 A I S < S- 0 0 7 -3,-1.4 -3,-0.1 34,-0.1 34,-0.1 -0.975 100.4 -94.5-114.6 126.5 36.6 99.2 109.6 62 65 A P - 0 0 17 0, 0.0 2,-1.7 0, 0.0 -2,-0.1 -0.234 34.9-130.9 -50.3 130.5 37.8 101.5 106.9 63 66 A P + 0 0 25 0, 0.0 2,-0.3 0, 0.0 1082,-0.2 -0.248 66.1 126.0 -84.5 49.5 39.7 104.2 108.8 64 67 A V - 0 0 4 -2,-1.7 2,-0.4 1078,-0.1 1073,-0.2 -0.780 54.9-137.2-114.1 140.1 37.9 106.9 106.9 65 68 A A E -H 1136 0B 0 1071,-2.3 1071,-3.0 -2,-0.3 2,-0.4 -0.834 15.9-133.3 -98.7 141.7 35.8 109.8 108.4 66 69 A V E +HI1135 73B 0 7,-2.7 7,-2.7 -2,-0.4 1069,-0.3 -0.817 32.3 162.3 -94.8 133.5 32.4 110.8 107.0 67 70 A F > + 0 0 3 1067,-3.4 3,-1.5 -2,-0.4 1066,-0.4 -0.018 19.1 147.9-135.5 28.7 31.8 114.5 106.4 68 71 A V G > S+ 0 0 4 1066,-0.6 3,-1.1 1,-0.3 1066,-0.1 -0.480 77.7 13.9 -74.4 142.5 28.9 114.4 104.0 69 72 A G G 3 S- 0 0 51 1,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.798 129.4 -77.0 57.4 32.5 26.6 117.4 104.5 70 73 A G G < S+ 0 0 25 -3,-1.5 2,-0.7 1,-0.2 -1,-0.2 0.741 99.1 128.2 52.6 27.9 29.4 118.9 106.6 71 74 A K < - 0 0 97 -3,-1.1 2,-0.4 1045,-0.1 -3,-0.2 -0.934 52.3-145.5-111.4 106.4 28.6 116.7 109.6 72 75 A L + 0 0 16 -2,-0.7 2,-0.3 1043,-0.5 -5,-0.2 -0.563 34.3 150.4 -69.4 125.2 31.9 115.1 110.8 73 76 A R B -I 66 0B 28 -7,-2.7 -7,-2.7 -2,-0.4 1072,-0.1 -0.990 48.9-104.7-153.6 160.0 31.4 111.6 112.1 74 77 A H - 0 0 13 -2,-0.3 -9,-0.1 -9,-0.2 18,-0.1 -0.512 37.5-123.3 -70.4 141.6 32.9 108.2 112.6 75 78 A P S S+ 0 0 0 0, 0.0 17,-2.6 0, 0.0 2,-0.5 0.657 94.8 53.0 -61.9 -27.3 31.5 105.6 110.2 76 79 A F E + D 0 91A 0 15,-0.2 -20,-1.3 -20,-0.2 2,-0.3 -0.935 69.9 161.2-122.4 111.4 30.3 103.0 112.8 77 80 A R E -CD 55 90A 4 13,-2.1 13,-2.4 -2,-0.5 2,-0.4 -0.899 25.9-151.9-132.7 147.1 27.9 104.4 115.5 78 81 A I E -CD 54 89A 5 -24,-2.3 -25,-2.4 -2,-0.3 -24,-1.4 -0.991 17.3-167.3-125.5 130.8 25.4 102.9 118.0 79 82 A Y E -CD 52 88A 32 9,-2.9 9,-2.5 -2,-0.4 2,-0.3 -0.840 8.3-157.9-120.1 157.5 22.5 104.9 119.3 80 83 A A E -CD 51 87A 0 -29,-2.2 -29,-2.7 -2,-0.3 7,-0.2 -0.938 16.4-130.3-126.2 145.4 19.9 104.5 122.0 81 84 A N > - 0 0 18 5,-1.8 3,-0.8 -2,-0.3 -31,-0.1 -0.227 44.0 -89.1 -79.0-176.1 16.5 106.0 122.4 82 85 A N T 3 S+ 0 0 138 -34,-0.3 -1,-0.0 1,-0.3 -33,-0.0 0.872 125.6 42.8 -74.7 -37.3 15.5 107.6 125.6 83 86 A S T 3 S- 0 0 65 -62,-0.0 -61,-0.6 -61,-0.0 -1,-0.3 0.442 107.7-122.0 -81.2 -2.4 14.2 104.7 127.6 84 87 A N S < S+ 0 0 32 -3,-0.8 -62,-0.9 2,-0.2 -2,-0.1 0.904 80.6 119.7 53.4 44.4 17.1 102.6 126.3 85 88 A T + 0 0 55 1,-0.2 -60,-2.4 -64,-0.1 2,-0.4 0.427 68.2 42.7-110.2 -8.8 14.6 100.1 124.8 86 89 A V E -a 25 0A 8 -62,-0.3 -5,-1.8 -60,-0.0 2,-0.3 -0.975 65.3-173.1-140.1 125.9 15.7 100.4 121.2 87 90 A L E -aD 26 80A 0 -62,-2.1 -60,-2.8 -2,-0.4 2,-0.4 -0.850 8.5-155.4-109.7 155.0 19.2 100.6 119.9 88 91 A V E -aD 27 79A 1 -9,-2.5 -9,-2.9 -2,-0.3 2,-0.5 -0.999 4.2-167.7-126.9 131.5 20.4 101.2 116.4 89 92 A A E +aD 28 78A 0 -62,-2.5 -60,-1.9 -2,-0.4 2,-0.4 -0.978 18.0 173.5-114.1 124.7 23.7 100.1 115.1 90 93 A M E -aD 29 77A 6 -13,-2.4 -13,-2.1 -2,-0.5 2,-0.4 -1.000 22.1-168.3-137.3 144.9 24.8 101.5 111.8 91 94 A C E - D 0 76A 0 -62,-2.5 -60,-0.3 -2,-0.4 -15,-0.2 -0.980 4.6-166.2-130.2 120.3 27.8 101.5 109.7 92 95 A E S S+ 0 0 24 -17,-2.6 -16,-0.1 -2,-0.4 -62,-0.1 0.399 71.5 53.5 -86.7 -1.3 28.0 103.9 106.8 93 96 A V S S- 0 0 1 -18,-0.2 -62,-0.4 -31,-0.0 2,-0.1 -0.978 94.3 -94.8-137.7 145.2 30.9 102.4 104.9 94 97 A P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 -62,-0.1 -0.352 27.1-138.7 -77.9 145.4 31.2 98.9 103.7 95 98 A I - 0 0 26 -34,-0.1 -34,-0.1 -4,-0.1 5,-0.1 -0.806 27.0-115.5 -94.1 121.7 33.0 96.2 105.7 96 99 A S > - 0 0 59 -2,-0.6 3,-2.0 -36,-0.3 4,-0.1 -0.281 21.3-124.2 -52.2 144.8 35.2 93.9 103.6 97 100 A S G > S+ 0 0 48 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.766 106.8 74.0 -70.2 -26.5 33.9 90.3 103.7 98 101 A A G 3 S+ 0 0 76 1,-0.2 -1,-0.3 386,-0.1 4,-0.2 0.675 105.3 40.5 -52.4 -18.1 37.2 89.0 105.0 99 102 A H G <> S+ 0 0 52 -3,-2.0 4,-2.2 2,-0.1 5,-0.4 0.255 75.0 108.8-124.2 13.5 36.1 90.7 108.3 100 103 A I H <> S+ 0 0 8 -3,-1.2 4,-3.4 1,-0.2 5,-0.3 0.965 83.0 51.5 -47.4 -56.5 32.4 89.9 108.7 101 104 A Y H > S+ 0 0 47 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.886 112.9 40.5 -53.2 -50.2 33.3 87.4 111.5 102 105 A E H > S+ 0 0 76 2,-0.2 4,-2.4 -4,-0.2 5,-0.2 0.984 118.3 45.7 -70.6 -49.2 35.4 89.7 113.7 103 106 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.936 115.6 48.3 -53.8 -45.6 33.2 92.9 113.2 104 107 A S H X S+ 0 0 0 -4,-3.4 4,-2.4 -5,-0.4 -1,-0.2 0.853 112.5 50.3 -61.6 -36.7 30.0 90.7 113.9 105 108 A N H X S+ 0 0 43 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.870 108.5 48.2 -73.5 -40.5 31.5 89.2 116.9 106 109 A T H X S+ 0 0 56 -4,-2.4 4,-1.9 2,-0.2 3,-0.5 0.969 115.2 47.5 -59.3 -54.1 32.6 92.5 118.5 107 110 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.921 111.1 50.2 -51.6 -48.3 29.2 93.9 117.9 108 111 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.765 105.8 57.0 -71.8 -21.6 27.4 90.9 119.3 109 112 A N H X S+ 0 0 75 -4,-1.5 4,-1.8 -3,-0.5 -1,-0.2 0.907 111.5 41.8 -67.4 -44.3 29.6 90.9 122.4 110 113 A W H X S+ 0 0 64 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.913 116.9 47.8 -69.8 -40.8 28.5 94.4 123.3 111 114 A I H X>S+ 0 0 1 -4,-2.4 5,-1.6 -5,-0.2 4,-0.5 0.884 109.7 52.0 -69.3 -39.9 24.9 93.7 122.4 112 115 A D H ><5S+ 0 0 52 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.2 0.927 113.2 46.5 -60.9 -40.3 24.8 90.5 124.3 113 116 A Q H 3<5S+ 0 0 108 -4,-1.8 -95,-0.6 1,-0.3 -2,-0.2 0.775 102.5 61.2 -77.8 -27.6 26.1 92.4 127.4 114 117 A V H 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -97,-0.1 -91,-0.2 0.565 117.2-113.5 -69.9 -11.5 23.8 95.3 127.1 115 118 A G T <<5 - 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