==== 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 IMMUNE SYSTEM/ISOMERASE 13-NOV-08 3F8U . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE A3ERP57; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.DONG,K.M.REINISCH . 1653 12 10 5 5 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 81209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1092 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 122 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 339 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.7 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 . 3 0.2 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 . 168 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.7 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 6 2 2 4 2 0 0 6 2 2 0 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 10 6 2 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 PARALLEL BRIDGES PER LADDER . 6 7 8 6 6 14 8 2 2 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 0 4 10 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 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 25 A S 0 0 118 0, 0.0 43,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.6 -7.8 51.4 54.1 2 26 A D + 0 0 48 42,-0.3 2,-0.6 2,-0.1 54,-0.5 0.318 360.0 106.6 -91.5 9.3 -7.8 54.9 52.8 3 27 A V - 0 0 10 52,-0.1 2,-0.2 54,-0.0 54,-0.2 -0.799 66.8-137.8 -94.0 120.7 -4.0 54.9 52.2 4 28 A L E -a 57 0A 56 52,-2.2 54,-2.0 -2,-0.6 2,-0.8 -0.540 11.4-140.2 -74.9 138.1 -3.0 54.7 48.5 5 29 A E E -a 58 0A 128 -2,-0.2 2,-0.2 52,-0.2 54,-0.2 -0.858 21.1-167.9-105.2 105.0 -0.1 52.4 47.8 6 30 A L E -a 59 0A 3 52,-1.2 54,-0.5 -2,-0.8 2,-0.3 -0.556 5.9-177.0 -89.7 155.0 2.2 53.9 45.2 7 31 A T > - 0 0 42 -2,-0.2 4,-2.5 52,-0.1 5,-0.2 -0.908 48.7 -93.3-143.8 168.9 4.9 52.0 43.4 8 32 A D T 4 S+ 0 0 56 -2,-0.3 4,-0.3 1,-0.2 56,-0.1 0.829 127.0 57.7 -52.0 -29.1 7.7 52.6 40.9 9 33 A D T 4 S+ 0 0 151 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.979 122.1 14.3 -66.3 -61.3 5.0 51.5 38.6 10 34 A N T > S+ 0 0 28 1,-0.1 4,-3.0 -5,-0.1 5,-0.3 0.310 96.4 99.3-103.9 8.5 2.2 54.0 39.3 11 35 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.983 83.5 44.6 -58.7 -68.2 3.9 56.8 41.2 12 36 A E H 4 S+ 0 0 107 -4,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.814 122.7 42.1 -46.1 -36.1 4.6 59.5 38.6 13 37 A S H >> S+ 0 0 85 -4,-0.2 3,-1.1 1,-0.1 4,-0.6 0.961 118.3 39.1 -77.2 -57.7 1.0 58.9 37.3 14 38 A R H 3< S+ 0 0 85 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.636 100.7 76.3 -71.1 -16.0 -1.0 58.6 40.5 15 39 A I T 3< S+ 0 0 3 -4,-2.6 70,-0.4 -5,-0.3 -1,-0.2 0.549 93.9 51.1 -75.2 -5.8 0.9 61.4 42.2 16 40 A S T <4 S+ 0 0 66 -3,-1.1 2,-2.5 -5,-0.2 -1,-0.2 0.784 80.4 87.3-100.6 -36.0 -0.9 64.1 40.3 17 41 A D < + 0 0 91 -4,-0.6 2,-0.2 -3,-0.1 -1,-0.1 -0.422 66.2 164.8 -68.4 81.8 -4.6 63.2 40.7 18 42 A T - 0 0 26 -2,-2.5 6,-0.1 1,-0.2 36,-0.1 -0.593 39.7-108.0 -99.0 163.1 -4.9 65.2 43.9 19 43 A G S S- 0 0 41 4,-0.6 3,-0.3 -2,-0.2 -1,-0.2 0.626 71.1 -50.1 -59.0-133.5 -7.9 66.4 45.7 20 44 A S S S+ 0 0 122 33,-0.6 34,-0.1 32,-0.6 33,-0.1 0.916 135.9 44.4 -77.4 -43.8 -8.7 70.1 45.6 21 45 A A S S- 0 0 33 32,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.393 105.3-116.3 -84.8 4.9 -5.4 71.7 46.6 22 46 A G S S+ 0 0 7 -3,-0.3 62,-2.9 1,-0.2 63,-0.4 0.778 71.7 140.4 65.5 24.6 -3.2 69.5 44.4 23 47 A L E +B 83 0A 0 30,-0.2 -4,-0.6 60,-0.2 2,-0.3 -0.832 27.4 171.6-107.2 139.9 -1.7 68.2 47.6 24 48 A M E -B 82 0A 0 58,-2.0 58,-3.2 -2,-0.4 2,-0.5 -0.993 22.3-143.5-145.6 136.8 -0.6 64.7 48.5 25 49 A L E -Bc 81 56A 0 30,-2.3 32,-3.3 -2,-0.3 2,-0.5 -0.849 19.4-164.6 -98.9 131.9 1.3 63.3 51.5 26 50 A V E -Bc 80 57A 0 54,-3.1 54,-2.4 -2,-0.5 2,-0.6 -0.974 8.6-157.1-123.7 128.4 3.7 60.5 50.8 27 51 A E E -Bc 79 58A 5 30,-2.7 32,-3.4 -2,-0.5 2,-0.6 -0.906 6.2-163.1-103.4 117.1 5.3 58.2 53.3 28 52 A F E +Bc 78 59A 0 50,-2.7 50,-2.3 -2,-0.6 2,-0.3 -0.892 34.0 137.2 -98.5 125.5 8.5 56.5 52.2 29 53 A F E - c 0 60A 24 30,-2.5 32,-2.8 -2,-0.6 33,-0.5 -0.891 49.6-124.6-153.7-176.0 9.2 53.5 54.4 30 54 A A > - 0 0 0 -2,-0.3 3,-1.3 30,-0.2 6,-0.2 -0.992 26.8-129.3-137.4 135.8 10.3 50.0 55.0 31 55 A P T 3 S+ 0 0 68 0, 0.0 6,-0.1 0, 0.0 -1,-0.0 0.737 106.1 60.9 -62.9 -17.6 8.2 47.5 56.8 32 56 A W T 3 S+ 0 0 39 4,-0.1 2,-0.2 5,-0.0 5,-0.0 0.721 80.0 107.1 -80.2 -18.1 11.1 46.5 59.1 33 57 A a <> - 0 0 0 -3,-1.3 4,-2.1 1,-0.1 5,-0.2 -0.426 61.6-150.1 -67.6 126.3 11.5 50.0 60.5 34 58 A G H > S+ 0 0 11 -2,-0.2 4,-1.9 502,-0.2 5,-0.2 0.913 98.2 48.7 -61.0 -48.1 10.3 50.4 64.1 35 59 A H H > S+ 0 0 21 41,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 110.4 53.3 -60.9 -38.5 9.3 54.1 63.6 36 60 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 107.8 50.0 -61.5 -42.7 7.4 53.1 60.5 37 61 A K H < S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.858 110.4 51.1 -63.2 -36.9 5.5 50.4 62.4 38 62 A R H X S+ 0 0 159 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.852 110.6 47.7 -69.1 -38.0 4.6 52.9 65.1 39 63 A L H X S+ 0 0 5 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.811 90.1 86.2 -73.8 -31.2 3.3 55.5 62.6 40 64 A A H X S+ 0 0 40 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.843 90.4 44.6 -37.4 -57.8 1.2 52.9 60.7 41 65 A P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.946 116.6 46.3 -56.1 -50.5 -1.9 53.2 62.9 42 66 A E H X S+ 0 0 72 -4,-0.6 4,-3.2 1,-0.2 -2,-0.2 0.933 111.3 51.4 -57.0 -49.5 -1.7 57.1 63.0 43 67 A Y H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.854 108.7 51.4 -58.9 -36.9 -1.2 57.3 59.2 44 68 A E H X S+ 0 0 53 -4,-2.1 4,-1.8 -5,-0.3 -42,-0.3 0.912 112.5 46.6 -66.7 -41.6 -4.2 55.1 58.6 45 69 A A H X S+ 0 0 39 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.942 112.3 49.7 -65.5 -46.7 -6.3 57.3 60.9 46 70 A A H X S+ 0 0 0 -4,-3.2 4,-0.6 1,-0.2 -2,-0.2 0.946 108.0 54.5 -57.4 -49.0 -5.0 60.5 59.2 47 71 A A H >< S+ 0 0 4 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.897 112.4 41.4 -51.7 -50.1 -5.8 59.1 55.7 48 72 A T H >< S+ 0 0 72 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.865 112.5 54.4 -70.5 -34.3 -9.4 58.4 56.5 49 73 A R H 3< S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.480 113.4 43.9 -78.5 0.5 -9.9 61.6 58.4 50 74 A L T XX S+ 0 0 0 -3,-0.9 3,-1.5 -4,-0.6 4,-1.4 0.356 78.6 142.7-121.1 -0.4 -8.6 63.6 55.4 51 75 A K T <4 S+ 0 0 145 -3,-0.8 2,-0.4 -4,-0.4 -3,-0.1 -0.150 77.8 11.0 -44.5 127.1 -10.5 61.7 52.7 52 76 A G T 34 S+ 0 0 66 1,-0.1 -32,-0.6 -32,-0.0 -1,-0.3 -0.224 125.2 64.1 93.1 -45.0 -11.6 64.2 50.1 53 77 A I T <4 S- 0 0 76 -3,-1.5 -33,-0.6 -2,-0.4 -32,-0.5 0.991 119.6 -8.8 -72.8 -72.2 -9.4 67.0 51.5 54 78 A V < - 0 0 0 -4,-1.4 -1,-0.3 -35,-0.1 2,-0.2 -0.985 69.7-133.5-135.2 122.9 -5.8 65.6 51.0 55 79 A P - 0 0 33 0, 0.0 -30,-2.3 0, 0.0 2,-0.4 -0.473 15.3-149.3 -77.4 144.3 -4.9 62.1 49.9 56 80 A L E - c 0 25A 2 -54,-0.5 -52,-2.2 -32,-0.2 2,-0.3 -0.939 16.2-179.4-116.1 134.3 -2.2 60.1 51.7 57 81 A A E -ac 4 26A 0 -32,-3.3 -30,-2.7 -2,-0.4 2,-0.4 -0.884 12.7-153.7-129.6 160.6 0.1 57.5 50.1 58 82 A K E -ac 5 27A 45 -54,-2.0 -52,-1.2 -2,-0.3 2,-0.5 -0.998 3.5-157.9-136.7 138.9 2.9 55.2 51.2 59 83 A V E -ac 6 28A 0 -32,-3.4 -30,-2.5 -2,-0.4 2,-1.1 -0.978 14.9-140.1-120.3 124.2 5.7 53.8 49.2 60 84 A D E >> - c 0 29A 45 -54,-0.5 3,-1.0 -2,-0.5 4,-0.7 -0.727 15.4-165.2 -83.3 101.4 7.5 50.6 50.3 61 85 A b T 34 S+ 0 0 0 -32,-2.8 3,-0.2 -2,-1.1 -1,-0.2 0.760 82.4 63.7 -60.3 -28.8 11.1 51.5 49.5 62 86 A T T 34 S+ 0 0 64 -33,-0.5 3,-0.3 1,-0.2 -1,-0.2 0.869 114.6 34.8 -64.8 -32.8 12.4 47.9 49.8 63 87 A A T <4 S+ 0 0 66 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.481 123.7 44.0 -98.5 -4.1 10.2 47.1 46.9 64 88 A N >X + 0 0 14 -4,-0.7 4,-1.6 -3,-0.2 3,-0.8 -0.301 58.1 159.3-139.8 57.9 10.5 50.3 45.0 65 89 A T H 3> S+ 0 0 59 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.764 71.6 59.8 -49.5 -34.1 14.1 51.4 44.9 66 90 A N H 3> S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 106.4 42.8 -68.5 -40.7 13.7 53.7 41.9 67 91 A T H <> S+ 0 0 10 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.865 116.4 48.3 -75.1 -31.2 11.1 56.1 43.4 68 92 A b H <>S+ 0 0 0 -4,-1.6 5,-2.4 1,-0.2 -2,-0.2 0.913 112.3 49.0 -72.7 -37.9 12.9 56.3 46.7 69 93 A N H ><5S+ 0 0 34 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.2 0.866 106.6 57.9 -66.5 -35.5 16.2 56.9 45.1 70 94 A K H 3<5S+ 0 0 124 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.901 112.6 38.1 -62.8 -40.1 14.6 59.6 42.9 71 95 A Y T 3<5S- 0 0 24 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.132 113.7-115.5 -98.8 21.2 13.4 61.6 46.0 72 96 A G T < 5 + 0 0 57 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.841 44.1 179.9 49.6 47.6 16.6 60.9 48.0 73 97 A V < + 0 0 4 -5,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.659 16.1 158.4 -80.1 126.0 15.1 58.9 50.8 74 98 A S + 0 0 90 -2,-0.5 481,-2.3 1,-0.2 482,-0.3 0.428 61.1 34.8-123.9 -7.9 17.8 57.8 53.2 75 99 A G E S-E 554 0B 1 479,-0.2 -1,-0.2 480,-0.1 -47,-0.1 -0.995 83.0 -86.3-149.9 155.9 15.7 57.1 56.3 76 100 A Y E S+E 553 0B 0 477,-1.5 477,-2.5 -2,-0.3 -41,-0.2 -0.939 98.9 23.5-120.7 139.1 12.3 55.9 57.4 77 101 A P S S+ 0 0 3 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.547 71.9 174.0 -90.5 153.5 9.8 57.1 57.7 78 102 A T E -B 28 0A 31 -50,-2.3 -50,-2.7 -2,-0.1 2,-0.6 -0.977 13.3-161.5-118.3 117.1 10.2 60.1 55.3 79 103 A L E +B 27 0A 8 -2,-0.5 12,-2.5 -52,-0.2 2,-0.4 -0.878 13.3 176.9-102.4 120.8 7.1 62.2 54.9 80 104 A K E -BD 26 90A 27 -54,-2.4 -54,-3.1 -2,-0.6 2,-0.5 -0.948 21.8-141.2-124.3 144.6 7.0 64.4 51.8 81 105 A I E -B 25 0A 3 8,-2.2 7,-2.2 -2,-0.4 2,-0.4 -0.879 16.9-158.6-103.5 134.0 4.3 66.7 50.6 82 106 A F E -BD 24 87A 1 -58,-3.2 -58,-2.0 -2,-0.5 2,-0.5 -0.923 3.1-160.1-114.6 140.1 3.8 66.8 46.8 83 107 A R E > S-BD 23 86A 98 3,-2.5 3,-2.0 -2,-0.4 -60,-0.2 -0.977 77.1 -22.6-121.7 120.1 2.0 69.7 45.0 84 108 A D T 3 S- 0 0 121 -62,-2.9 -68,-0.1 -2,-0.5 -61,-0.1 0.742 130.5 -48.4 54.1 23.7 0.7 69.1 41.5 85 109 A G T 3 S+ 0 0 20 -63,-0.4 2,-0.3 -70,-0.4 -1,-0.3 0.387 116.7 97.8 102.1 -4.6 3.1 66.2 41.2 86 110 A E E < S-D 83 0A 152 -3,-2.0 -3,-2.5 1,-0.1 -1,-0.3 -0.880 82.4 -86.8-120.3 153.0 6.4 67.8 42.4 87 111 A E E -D 82 0A 93 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.193 38.8-179.7 -51.1 141.5 8.2 67.7 45.7 88 112 A A E - 0 0 40 -7,-2.2 -1,-0.1 1,-0.4 -6,-0.1 -0.183 51.4 -71.5-140.8 43.3 7.1 70.5 48.0 89 113 A G E - 0 0 41 2,-0.1 -8,-2.2 -9,-0.1 -1,-0.4 0.219 59.3 -69.0 84.7 152.7 9.1 70.1 51.2 90 114 A A E -D 80 0A 51 -10,-0.2 2,-1.1 1,-0.1 -10,-0.2 -0.351 50.9-102.6 -75.6 157.6 9.2 67.6 54.0 91 115 A Y - 0 0 9 -12,-2.5 2,-1.6 1,-0.1 -12,-0.2 -0.735 33.3-163.7 -84.8 102.3 6.4 67.3 56.5 92 116 A D + 0 0 144 -2,-1.1 -1,-0.1 2,-0.0 -2,-0.0 -0.503 49.3 101.2 -85.7 67.4 7.8 69.1 59.6 93 117 A G S S- 0 0 24 -2,-1.6 7,-0.1 3,-0.0 -2,-0.1 -0.901 78.4 -76.5-146.1 173.2 5.4 67.7 62.1 94 118 A P - 0 0 75 0, 0.0 2,-1.4 0, 0.0 6,-0.1 -0.417 46.2-118.3 -69.4 149.1 4.7 65.2 64.9 95 119 A R S S+ 0 0 89 4,-0.1 2,-0.3 -2,-0.1 -53,-0.2 -0.300 76.8 112.5 -85.7 53.8 4.0 61.7 63.7 96 120 A T S > S- 0 0 53 -2,-1.4 4,-2.3 1,-0.1 5,-0.2 -0.791 77.2-117.1-120.5 164.4 0.5 61.6 65.1 97 121 A A H > S+ 0 0 6 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.962 116.7 47.0 -64.8 -51.1 -3.0 61.5 63.5 98 122 A D H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.899 112.3 50.4 -57.2 -43.4 -3.9 64.9 65.0 99 123 A G H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 114.4 43.7 -61.3 -46.7 -0.6 66.4 63.9 100 124 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.947 113.7 48.4 -64.7 -52.7 -1.0 65.2 60.3 101 125 A V H X S+ 0 0 5 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.890 114.7 45.8 -55.9 -45.0 -4.6 66.1 59.8 102 126 A S H X S+ 0 0 74 -4,-2.1 4,-1.9 -5,-0.3 5,-0.2 0.935 112.6 48.4 -67.1 -47.8 -4.3 69.6 61.2 103 127 A H H X S+ 0 0 53 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.926 115.0 44.8 -58.5 -48.2 -1.1 70.5 59.3 104 128 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.827 108.5 56.8 -67.8 -32.7 -2.4 69.3 56.0 105 129 A K H < S+ 0 0 114 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.910 113.3 40.8 -65.1 -40.0 -5.8 71.0 56.5 106 130 A K H >< S+ 0 0 56 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.918 114.6 52.7 -70.7 -43.1 -4.0 74.3 57.0 107 131 A Q H 3< S+ 0 0 39 -4,-2.7 2,-0.8 1,-0.3 -2,-0.2 0.852 94.1 71.0 -59.3 -36.9 -1.7 73.4 54.1 108 132 A A T 3< S- 0 0 22 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 0.050 105.7-146.0 -72.0 30.6 -4.7 72.7 51.9 109 133 A G S < S+ 0 0 29 -2,-0.8 -1,-0.1 -3,-0.8 2,-0.1 0.399 77.6 156.9 41.7 175.9 -5.2 76.5 52.0 110 134 A P - 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