==== 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 CHAPERONE 25-AUG-07 2R2J . COMPND 2 MOLECULE: THIOREDOXIN DOMAIN-CONTAINING PROTEIN 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.K.WANG,S.J.LI,F.SUN,C.C.WANG . 328 5 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 10.1 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 . 2 0.6 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 . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 2 1 1 0 0 1 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 0 2 1 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 2 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 3 A T 0 0 90 0, 0.0 55,-2.5 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 95.5 54.3 40.0 60.4 2 4 A S B -a 56 0A 66 53,-0.2 55,-0.2 55,-0.0 5,-0.1 -0.758 360.0-142.4 -90.2 112.7 55.0 36.6 58.8 3 5 A L + 0 0 2 53,-2.6 55,-0.4 -2,-0.8 2,-0.3 -0.336 26.3 167.4 -66.4 149.8 51.9 34.8 57.8 4 6 A D >> - 0 0 43 53,-0.1 4,-2.8 -2,-0.0 3,-0.7 -0.932 53.3 -85.1-148.7 173.4 51.6 31.0 58.1 5 7 A T T 34 S+ 0 0 61 -2,-0.3 4,-0.4 1,-0.2 -2,-0.0 0.811 125.1 50.4 -43.3 -40.7 48.8 28.4 58.0 6 8 A E T 34 S+ 0 0 163 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.809 123.4 23.1 -77.6 -33.2 48.1 29.0 61.7 7 9 A N T <> S+ 0 0 51 -3,-0.7 4,-1.8 2,-0.1 -2,-0.2 0.567 95.9 88.2-116.9 -12.3 47.7 32.8 61.7 8 10 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.3 0.971 86.4 52.2 -51.5 -65.2 46.8 33.9 58.1 9 11 A D H > S+ 0 0 86 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.823 111.7 47.5 -47.7 -42.9 43.0 33.6 58.3 10 12 A E H > S+ 0 0 141 -4,-0.2 4,-1.1 2,-0.2 5,-0.3 0.997 113.2 45.0 -58.0 -65.8 42.8 35.7 61.5 11 13 A I H X S+ 0 0 55 -4,-1.8 4,-1.2 1,-0.2 3,-0.5 0.866 120.4 38.4 -50.6 -51.0 45.0 38.6 60.4 12 14 A L H < S+ 0 0 2 -4,-2.1 71,-0.4 1,-0.2 -1,-0.2 0.875 108.0 59.4 -70.8 -42.8 43.6 39.0 56.8 13 15 A N H < S+ 0 0 92 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.656 116.6 35.4 -62.9 -17.1 39.8 38.4 57.5 14 16 A N H < S+ 0 0 84 -4,-1.1 2,-0.3 -3,-0.5 -1,-0.2 0.644 90.2 105.5-112.3 -23.6 39.8 41.3 59.9 15 17 A A < - 0 0 0 -4,-1.2 67,-1.8 -5,-0.3 68,-0.5 -0.440 59.8-150.7 -62.6 120.9 42.2 43.7 58.2 16 18 A D S S+ 0 0 70 34,-1.0 66,-0.5 1,-0.3 2,-0.4 0.956 90.5 4.4 -55.1 -50.9 40.4 46.6 56.6 17 19 A V E S-b 52 0A 1 34,-1.4 36,-2.1 33,-0.5 2,-0.4 -0.985 73.0-174.3-139.1 129.2 43.3 46.7 54.1 18 20 A A E -bC 53 80A 0 62,-2.8 62,-2.6 -2,-0.4 2,-0.5 -0.985 11.0-159.1-122.5 127.0 46.3 44.2 54.0 19 21 A L E -bC 54 79A 0 34,-2.3 36,-2.4 -2,-0.4 2,-0.5 -0.922 20.1-166.0 -99.3 126.4 49.3 44.5 51.7 20 22 A V E -bC 55 78A 0 58,-2.7 58,-2.5 -2,-0.5 2,-0.9 -0.967 14.5-154.5-124.8 123.7 50.9 41.1 51.4 21 23 A N E -bC 56 77A 0 34,-2.7 36,-2.7 -2,-0.5 2,-0.8 -0.807 7.4-165.6 -93.7 103.7 54.3 40.4 50.0 22 24 A F E +bC 57 76A 0 54,-3.3 54,-2.1 -2,-0.9 2,-0.2 -0.812 31.7 154.8 -90.2 118.8 54.5 36.9 48.7 23 25 A Y E -b 58 0A 23 34,-3.0 36,-2.3 -2,-0.8 37,-0.3 -0.723 38.9-137.6-132.6 174.6 58.2 36.4 48.3 24 26 A A > - 0 0 0 -2,-0.2 3,-1.2 34,-0.2 7,-0.2 -0.985 20.3-131.7-135.8 146.5 60.9 33.8 48.1 25 27 A D T 3 S+ 0 0 93 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.851 106.5 52.1 -52.4 -44.6 64.4 33.9 49.8 26 28 A W T 3 S+ 0 0 138 -3,-0.1 2,-0.7 4,-0.1 -1,-0.2 0.333 85.6 108.9 -82.9 5.3 66.3 33.0 46.6 27 29 A C <> - 0 0 0 -3,-1.2 4,-2.8 1,-0.2 5,-0.2 -0.781 58.6-155.3 -92.3 118.7 64.6 35.7 44.5 28 30 A R H > S+ 0 0 205 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.881 96.9 45.4 -52.7 -45.2 66.8 38.6 43.5 29 31 A F H > S+ 0 0 39 2,-0.2 4,-1.8 45,-0.2 -1,-0.2 0.913 111.4 52.0 -71.1 -42.3 63.8 40.9 43.2 30 32 A S H >> S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 3,-0.6 0.959 108.3 51.0 -54.1 -53.1 62.3 39.8 46.5 31 33 A Q H 3< S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.887 109.2 52.6 -59.1 -36.2 65.5 40.4 48.3 32 34 A X H 3< S+ 0 0 134 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.3 0.878 111.6 46.1 -61.1 -38.5 65.6 43.9 46.8 33 35 A L H XX S+ 0 0 1 -4,-1.8 3,-2.1 -3,-0.6 4,-2.0 0.881 88.5 84.3 -76.4 -41.7 62.1 44.6 48.0 34 36 A H H 3X S+ 0 0 42 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.762 96.1 41.2 -31.6 -51.1 62.3 43.3 51.6 35 37 A P H 3> S+ 0 0 80 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.758 113.7 53.4 -80.6 -17.7 63.8 46.6 53.0 36 38 A I H <> S+ 0 0 44 -3,-2.1 4,-2.5 -4,-0.4 3,-0.2 0.966 110.4 46.1 -72.9 -53.3 61.5 48.8 50.9 37 39 A F H X S+ 0 0 7 -4,-2.0 4,-1.9 1,-0.2 5,-0.2 0.904 111.3 55.8 -46.6 -48.7 58.3 47.0 52.2 38 40 A E H X S+ 0 0 99 -4,-1.9 4,-1.6 -5,-0.4 -1,-0.2 0.889 109.4 44.1 -54.6 -45.7 59.9 47.3 55.7 39 41 A E H X S+ 0 0 111 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.911 110.2 53.9 -71.9 -41.0 60.2 51.1 55.5 40 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.833 105.7 53.5 -63.2 -33.0 56.8 51.7 54.0 41 43 A S H X S+ 0 0 31 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.952 109.1 49.9 -65.4 -47.8 55.1 49.8 56.8 42 44 A D H >< S+ 0 0 113 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.870 112.8 46.9 -52.1 -44.3 57.0 52.0 59.3 43 45 A V H 3< S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.852 104.2 61.2 -69.1 -35.6 55.8 55.1 57.3 44 46 A I H >< S+ 0 0 0 -4,-2.3 2,-1.8 1,-0.2 3,-1.4 0.574 75.4 94.4 -76.3 -5.3 52.2 53.8 57.2 45 47 A K T << + 0 0 107 -4,-0.7 -1,-0.2 -3,-0.6 -3,-0.1 -0.340 53.1 96.8 -78.2 56.3 52.0 53.9 61.0 46 48 A E T 3 S+ 0 0 114 -2,-1.8 -1,-0.3 2,-0.1 -2,-0.1 0.194 79.1 63.1-111.6 -2.6 50.5 57.4 60.5 47 49 A E < 0 0 62 -3,-1.4 -2,-0.1 5,-0.1 -3,-0.0 0.862 360.0 360.0 -74.5 -97.0 47.3 55.4 60.9 48 50 A F 0 0 86 -4,-0.2 4,-0.2 4,-0.1 3,-0.1 -0.864 360.0 360.0-165.5 360.0 47.3 53.9 64.4 49 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 50 54 A N 0 0 130 0, 0.0 -34,-1.0 0, 0.0 -33,-0.5 0.000 360.0 360.0 360.0 -27.1 43.9 46.8 62.3 51 55 A Q + 0 0 75 1,-0.2 -34,-1.4 -36,-0.2 2,-0.3 0.861 360.0 5.9 -42.9 -56.4 43.1 49.6 59.8 52 56 A V E S- b 0 17A 6 -4,-0.2 2,-0.4 -36,-0.2 -1,-0.2 -0.920 72.7-175.9-140.3 112.5 46.2 48.8 57.5 53 57 A V E - b 0 18A 31 -36,-2.1 -34,-2.3 -2,-0.3 2,-0.5 -0.863 14.8-150.5-113.5 140.1 48.5 45.9 58.0 54 58 A F E + b 0 19A 18 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.911 28.4 166.7-101.5 133.3 51.7 44.9 56.2 55 59 A A E - b 0 20A 1 -36,-2.4 -34,-2.7 -2,-0.5 2,-0.3 -0.972 21.6-145.2-144.5 158.1 52.5 41.2 56.0 56 60 A R E -ab 2 21A 48 -55,-2.5 -53,-2.6 -2,-0.3 2,-0.4 -0.930 0.1-156.6-128.2 154.9 54.7 38.7 54.2 57 61 A V E - b 0 22A 0 -36,-2.7 -34,-3.0 -2,-0.3 2,-1.3 -0.992 13.1-147.0-127.2 120.8 54.5 35.1 52.9 58 62 A D E >> - b 0 23A 18 -2,-0.4 4,-2.5 -55,-0.4 3,-1.3 -0.741 15.9-162.5 -83.0 92.4 57.6 32.9 52.4 59 63 A C T 34 S+ 0 0 3 -36,-2.3 7,-0.2 -2,-1.3 -1,-0.2 0.652 86.6 55.8 -58.8 -18.4 56.1 31.0 49.5 60 64 A D T 34 S+ 0 0 89 -37,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.809 111.3 42.1 -81.7 -33.6 58.7 28.3 49.9 61 65 A Q T <4 S+ 0 0 138 -3,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.888 125.6 35.5 -73.9 -37.0 57.8 27.7 53.5 62 66 A H >X + 0 0 29 -4,-2.5 4,-2.2 1,-0.2 3,-0.6 -0.529 61.7 156.7-124.1 60.9 54.0 27.9 52.8 63 67 A S H 3> S+ 0 0 81 -3,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.854 77.0 60.2 -46.5 -42.9 53.4 26.4 49.3 64 68 A D H 3> S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.916 107.1 45.7 -54.2 -44.4 49.8 25.7 50.4 65 69 A I H <> S+ 0 0 0 -3,-0.6 4,-1.2 2,-0.2 -2,-0.2 0.917 112.6 49.4 -68.7 -44.0 49.2 29.5 50.9 66 70 A A H ><>S+ 0 0 11 -4,-2.2 5,-1.7 1,-0.2 3,-0.5 0.913 107.6 53.5 -62.4 -42.1 50.9 30.5 47.6 67 71 A Q H ><5S+ 0 0 157 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.869 108.5 52.2 -63.8 -35.3 48.9 28.0 45.5 68 72 A R H 3<5S+ 0 0 106 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.666 108.9 46.9 -80.0 -17.0 45.7 29.4 46.9 69 73 A Y T <<5S- 0 0 32 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.285 109.3-121.6-102.4 16.4 46.4 33.0 46.1 70 74 A R T < 5 - 0 0 164 -3,-0.8 2,-0.4 -4,-0.3 -3,-0.2 0.894 35.7-168.6 50.8 51.6 47.5 32.1 42.6 71 75 A I < + 0 0 19 -5,-1.7 -1,-0.2 1,-0.2 3,-0.1 -0.615 12.7 176.3 -72.0 120.0 51.0 33.6 43.0 72 76 A S + 0 0 35 -2,-0.4 259,-2.7 1,-0.3 2,-0.3 0.486 61.2 5.0-106.7 -8.5 52.4 33.7 39.5 73 77 A K E S-E 330 0B 0 257,-0.2 -1,-0.3 -51,-0.1 257,-0.2 -0.982 82.6 -75.1-167.1 163.6 55.7 35.4 40.3 74 78 A Y E S+E 329 0B 20 255,-2.3 255,-2.5 1,-0.3 -45,-0.2 -0.969 105.0 26.7-119.9 135.9 58.0 36.7 43.0 75 79 A P S S+ 0 0 1 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.480 77.9 176.1 -85.5 134.5 57.7 39.2 44.6 76 80 A T E -C 22 0A 0 -54,-2.1 -54,-3.3 -3,-0.2 2,-0.7 -0.889 17.1-155.3 -99.2 131.3 53.9 39.5 44.3 77 81 A L E -C 21 0A 8 -2,-0.5 13,-1.6 13,-0.3 2,-0.4 -0.892 16.5-172.6-102.6 102.8 52.1 42.4 46.2 78 82 A K E -CD 20 89A 6 -58,-2.5 -58,-2.7 -2,-0.7 2,-0.5 -0.751 13.2-147.4 -95.8 138.5 48.5 41.4 46.9 79 83 A L E -C 19 0A 2 9,-0.5 7,-3.7 -2,-0.4 2,-0.4 -0.918 15.4-168.5-100.4 134.6 45.9 43.8 48.4 80 84 A F E -CD 18 85A 1 -62,-2.6 -62,-2.8 -2,-0.5 2,-0.4 -0.958 9.2-167.4-118.6 141.9 43.3 42.4 50.7 81 85 A R E > S- D 0 84A 13 3,-2.8 3,-2.2 -2,-0.4 -64,-0.2 -0.990 81.3 -17.1-126.1 121.4 40.2 44.1 51.9 82 86 A N T 3 S- 0 0 67 -67,-1.8 -66,-0.2 -66,-0.5 -69,-0.1 0.744 129.0 -55.3 55.8 23.9 38.2 42.3 54.8 83 87 A G T 3 S+ 0 0 17 -68,-0.5 2,-0.5 -71,-0.4 -1,-0.3 0.436 113.3 120.8 87.1 -0.2 40.2 39.2 53.9 84 88 A X E < -D 81 0A 68 -3,-2.2 -3,-2.8 -72,-0.2 2,-0.3 -0.862 64.5-124.3 -90.5 128.2 39.1 39.2 50.3 85 89 A X E -D 80 0A 34 -2,-0.5 -5,-0.3 -5,-0.2 2,-0.2 -0.556 19.7-126.1 -71.0 127.4 41.9 39.4 47.8 86 90 A X E - 0 0 16 -7,-3.7 -7,-0.3 -2,-0.3 -1,-0.1 -0.511 6.9-139.2 -71.0 139.4 41.9 42.3 45.3 87 91 A K E S+ 0 0 117 -2,-0.2 2,-0.4 -9,-0.1 -1,-0.1 0.781 86.4 75.3 -65.5 -33.6 42.1 41.3 41.6 88 92 A R E S- 0 0 88 -9,-0.1 -9,-0.5 -10,-0.0 2,-0.2 -0.714 71.4-154.9 -88.4 136.2 44.5 44.2 41.0 89 93 A E E -D 78 0A 18 -2,-0.4 2,-1.0 -11,-0.1 -11,-0.2 -0.639 31.7 -98.2-100.4 160.1 48.0 44.0 42.2 90 94 A Y + 0 0 24 -13,-1.6 -13,-0.3 -2,-0.2 9,-0.0 -0.726 50.5 166.4 -74.9 108.8 50.4 46.8 43.1 91 95 A R + 0 0 40 -2,-1.0 -1,-0.2 -15,-0.1 3,-0.1 0.204 37.2 103.5-110.2 14.7 52.3 46.9 39.8 92 96 A G S S- 0 0 29 1,-0.2 7,-0.1 6,-0.1 -2,-0.0 0.153 77.9 -37.6 -89.7-160.4 54.0 50.3 40.3 93 97 A Q - 0 0 120 1,-0.1 2,-1.4 5,-0.0 -1,-0.2 -0.285 51.3-127.8 -65.4 142.4 57.5 51.6 41.1 94 98 A R + 0 0 46 -3,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.379 68.2 113.6 -93.7 59.0 59.4 49.6 43.7 95 99 A S S > S- 0 0 27 -2,-1.4 4,-2.3 1,-0.1 5,-0.2 -0.904 76.1-114.9-126.3 156.4 60.2 52.5 46.1 96 100 A V H > S+ 0 0 29 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.921 116.8 46.6 -53.3 -50.1 59.1 53.4 49.7 97 101 A K H > S+ 0 0 128 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.962 110.1 50.9 -59.6 -55.5 57.3 56.5 48.5 98 102 A A H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 115.0 47.0 -46.9 -44.1 55.4 54.8 45.6 99 103 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.943 112.8 44.1 -64.8 -50.9 54.3 52.2 48.0 100 104 A A H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.836 114.6 51.3 -68.8 -33.4 53.2 54.4 50.8 101 105 A D H X S+ 0 0 65 -4,-3.1 4,-3.1 2,-0.2 -1,-0.2 0.915 107.7 53.9 -62.1 -47.6 51.4 56.7 48.3 102 106 A Y H X S+ 0 0 37 -4,-2.4 4,-2.8 -5,-0.3 3,-0.3 0.971 110.5 44.6 -51.8 -60.7 49.7 53.6 46.8 103 107 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 -1,-0.2 0.875 111.3 53.7 -52.6 -42.1 48.3 52.5 50.2 104 108 A R H X S+ 0 0 92 -4,-2.0 4,-0.9 2,-0.2 -1,-0.3 0.934 110.3 48.6 -56.7 -45.6 47.3 56.1 51.0 105 109 A Q H >< S+ 0 0 86 -4,-3.1 3,-0.8 -3,-0.3 -2,-0.2 0.924 111.7 48.8 -59.4 -48.2 45.4 56.1 47.7 106 110 A Q H 3< S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.818 113.3 46.3 -64.1 -32.8 43.8 52.8 48.6 107 111 A K H 3< S+ 0 0 80 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.597 100.9 102.4 -81.2 -10.8 42.8 54.0 52.0 108 112 A S S << S- 0 0 36 -4,-0.9 3,-0.2 -3,-0.8 -3,-0.1 0.294 81.7 -66.7 -71.7-167.1 41.4 57.3 50.6 109 113 A D + 0 0 138 1,-0.3 2,-0.3 0, 0.0 30,-0.1 0.429 48.0 165.2 -9.3 -86.6 38.1 58.8 49.8 110 114 A P + 0 0 32 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.800 52.5 54.7 -85.6 -21.4 36.9 57.2 47.4 111 115 A I - 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0 0 26 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.430 51.8-107.3 -89.9 0.4 47.8 34.1 22.0 275 297 A F S S+ 0 0 46 2,-0.5 41,-0.1 -63,-0.1 3,-0.1 0.280 118.2 53.6 77.4 -5.6 51.0 35.0 23.9 276 298 A R S S- 0 0 166 1,-0.5 40,-0.4 39,-0.1 2,-0.3 0.613 121.2 -3.5-116.7 -28.6 52.9 32.8 21.4 277 299 A H - 0 0 22 38,-0.3 -3,-2.5 2,-0.0 -2,-0.5 -0.923 62.5-122.3-153.1 169.4 51.8 34.2 18.1 278 300 A X E -M 273 0D 2 36,-1.5 2,-0.4 -2,-0.3 -5,-0.2 -0.964 23.8-164.9-124.0 145.8 49.5 36.7 16.5 279 301 A Y E -M 272 0D 14 -7,-2.1 -7,-2.5 -2,-0.4 2,-0.4 -0.984 12.4-134.8-134.5 138.6 46.8 35.9 14.0 280 302 A V E -M 271 0D 71 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.801 0.7-154.2 -99.6 131.7 44.7 38.0 11.6 281 303 A F - 0 0 24 -11,-2.7 2,-0.3 -2,-0.4 -1,-0.1 0.941 37.6-130.2 -63.6 -51.8 41.0 37.7 11.2 282 304 A G + 0 0 46 -12,-0.4 -12,-0.4 5,-0.0 -1,-0.2 -0.977 65.8 13.8 131.0-153.6 40.8 39.1 7.6 283 305 A D - 0 0 119 -2,-0.3 3,-0.4 1,-0.1 4,-0.1 -0.391 67.2-137.0 -56.7 138.0 38.4 41.8 6.2 284 306 A F S > S+ 0 0 29 -16,-0.3 3,-3.8 1,-0.2 4,-0.2 0.989 103.8 57.9 -57.6 -61.9 36.8 43.7 9.1 285 307 A K G > S+ 0 0 170 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.668 86.8 80.2 -46.8 -20.3 33.4 43.7 7.4 286 308 A D G > S+ 0 0 52 -3,-0.4 3,-1.1 1,-0.2 -1,-0.3 0.653 71.7 82.8 -56.5 -17.9 33.7 39.8 7.5 287 309 A V G < S+ 0 0 0 -3,-3.8 6,-0.3 1,-0.2 -1,-0.2 0.831 83.2 58.7 -58.8 -27.7 32.6 40.2 11.1 288 310 A L G < S+ 0 0 100 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.741 77.9 104.3 -73.3 -24.8 29.0 40.3 9.9 289 311 A I S <> S- 0 0 78 -3,-1.1 4,-0.6 -4,-0.3 3,-0.5 -0.476 80.9-125.8 -62.0 121.1 29.4 36.9 8.2 290 312 A P T 4 S+ 0 0 110 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.817 97.0 29.9 -45.6 -61.5 27.5 34.6 10.7 291 313 A G T > S+ 0 0 48 1,-0.1 4,-2.0 2,-0.1 3,-0.4 0.836 100.4 86.7 -64.5 -33.1 30.0 31.8 11.5 292 314 A K H > S+ 0 0 97 -3,-0.5 4,-3.0 1,-0.2 5,-0.2 0.761 82.7 44.4 -49.6 -68.0 33.2 33.8 11.2 293 315 A L H X S+ 0 0 0 -4,-0.6 4,-2.0 -6,-0.3 -1,-0.2 0.885 119.6 46.3 -45.8 -48.3 34.2 35.5 14.4 294 316 A K H > S+ 0 0 94 -3,-0.4 4,-3.4 -4,-0.4 -1,-0.2 0.893 111.5 50.2 -61.5 -45.6 33.3 32.4 16.3 295 317 A Q H X S+ 0 0 82 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.888 106.3 57.7 -59.8 -40.1 35.2 30.1 13.9 296 318 A F H X S+ 0 0 15 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.952 111.4 41.3 -55.6 -51.3 38.2 32.5 14.3 297 319 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 3,-0.5 0.946 113.1 53.7 -61.6 -48.5 38.1 31.8 18.0 298 320 A F H X S+ 0 0 112 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.917 105.7 54.2 -48.0 -49.8 37.5 28.1 17.6 299 321 A D H X>S+ 0 0 28 -4,-3.2 6,-1.2 1,-0.2 4,-1.1 0.822 100.9 57.8 -65.0 -32.5 40.5 27.8 15.3 300 322 A L H ><5S+ 0 0 27 -4,-1.4 3,-0.6 -3,-0.5 -1,-0.2 0.959 112.6 42.5 -54.9 -49.6 42.9 29.3 17.8 301 323 A H H 3<5S+ 0 0 89 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.814 111.6 51.9 -73.5 -34.8 41.9 26.6 20.2 302 324 A S H 3<5S- 0 0 72 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.656 109.6-118.2 -73.6 -13.8 41.9 23.7 17.8 303 325 A G T X<5S+ 0 0 28 -4,-1.1 3,-1.4 -3,-0.6 4,-0.2 0.440 79.7 126.4 87.0 2.0 45.4 24.6 16.6 304 326 A K T 3 < + 0 0 110 -5,-0.9 3,-0.3 1,-0.3 -4,-0.2 0.687 63.7 59.2 -63.8 -26.0 44.0 25.2 13.1 305 327 A L T 3 S+ 0 0 33 -6,-1.2 -1,-0.3 1,-0.2 -5,-0.1 0.633 98.5 59.4 -80.1 -7.7 45.4 28.7 12.9 306 328 A H S < S+ 0 0 58 -3,-1.4 2,-0.2 -7,-0.3 -1,-0.2 0.588 82.0 114.8-101.1 -14.9 49.0 27.4 13.3 307 329 A R S S- 0 0 154 -3,-0.3 2,-0.2 -4,-0.2 -1,-0.1 -0.832 85.1 -56.4 83.1 55.2 48.6 25.5 10.5 308 330 A E 0 0 162 -2,-0.2 -3,-0.1 3,-0.2 -2,-0.0 -0.746 360.0 360.0-102.1 -54.2 50.4 26.3 8.4 309 331 A F 0 0 126 3,-0.2 3,-0.1 -2,-0.2 -2,-0.1 -0.647 360.0 360.0-125.3 360.0 50.5 29.0 7.2 310 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 311 351 A S 0 0 139 0, 0.0 -3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.7 55.9 28.7 7.8 312 352 A S - 0 0 79 -3,-0.1 -3,-0.2 -5,-0.1 -5,-0.1 -0.991 360.0-111.5-128.3 138.8 55.6 29.7 11.4 313 353 A P - 0 0 6 0, 0.0 -34,-0.1 0, 0.0 -7,-0.0 -0.186 41.4 -85.4 -63.9 159.5 53.3 32.5 12.5 314 354 A P - 0 0 34 0, 0.0 -36,-1.5 0, 0.0 3,-0.1 -0.284 51.5 -96.2 -61.3 154.3 54.6 35.9 13.9 315 355 A E - 0 0 129 -38,-0.3 -38,-0.3 1,-0.2 -39,-0.1 -0.229 42.8 -89.9 -71.0 156.6 55.4 36.3 17.6 316 356 A S - 0 0 3 -40,-0.4 -1,-0.2 1,-0.2 -38,-0.1 -0.360 29.5-168.1 -55.3 141.2 53.1 37.7 20.2 317 357 A S S > S+ 0 0 10 -40,-0.1 3,-1.8 -3,-0.1 4,-0.3 0.706 84.5 59.9 -95.9 -39.8 53.4 41.4 20.7 318 358 A F G >> S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 4,-0.7 0.614 81.8 80.9 -70.3 -8.2 51.4 41.4 23.8 319 359 A Q G >4 S+ 0 0 74 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.815 84.5 63.7 -63.5 -26.3 53.7 39.1 25.7 320 360 A K G <4 S+ 0 0 181 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.727 95.8 57.6 -69.7 -20.6 55.9 42.1 26.3 321 361 A L G <4 S+ 0 0 29 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.739 90.8 93.6 -76.3 -23.3 53.1 43.7 28.4 322 362 A A S << S- 0 0 28 -3,-0.7 -119,-0.1 -4,-0.7 -118,-0.1 -0.074 100.9 -62.9 -59.5 162.7 53.1 40.6 30.7 323 363 A P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.291 62.5-118.2 -58.9 136.8 55.3 40.7 33.8 324 364 A S >> - 0 0 52 -3,-0.1 4,-1.5 1,-0.1 3,-1.4 -0.450 7.6-143.4 -78.9 143.2 59.0 41.1 33.1 325 365 A E T 34 S+ 0 0 132 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 0.531 106.9 64.8 -76.7 -5.0 61.8 38.8 33.9 326 366 A Y T 34 S+ 0 0 183 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.427 115.2 28.5 -90.8 -0.7 63.7 42.0 34.5 327 367 A R T <4 S+ 0 0 81 -3,-1.4 2,-0.3 1,-0.4 -2,-0.2 0.520 125.1 27.0-128.6 -12.9 61.3 42.7 37.4 328 368 A Y < - 0 0 12 -4,-1.5 2,-0.6 -299,-0.1 -1,-0.4 -0.989 68.8-117.0-150.2 147.1 60.2 39.3 38.7 329 369 A T E -E 74 0B 32 -255,-2.5 -255,-2.3 -2,-0.3 2,-0.4 -0.838 47.1-139.6 -74.9 122.6 61.1 35.7 39.0 330 370 A L E -E 73 0B 82 -2,-0.6 2,-0.3 -257,-0.2 -257,-0.2 -0.766 11.2-150.7-101.6 131.8 58.4 34.1 36.9 331 371 A L 0 0 54 -259,-2.7 0, 0.0 -2,-0.4 0, 0.0 -0.712 360.0 360.0-100.3 147.3 56.6 30.9 38.0 332 372 A R 0 0 285 -2,-0.3 -1,-0.0 -259,-0.0 -259,-0.0 -0.553 360.0 360.0-111.9 360.0 55.2 28.5 35.5