==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 22-DEC-12 3W3K . COMPND 2 MOLECULE: TOLL-LIKE RECEPTOR 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.TANJI,U.OHTO,T.SHIMIZU . 1493 8 12 10 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 973 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 248 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.7 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 0.1 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 . 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 . 173 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 224 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 11 4 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 RESIDUES PER ALPHA HELIX . 4 10 52 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 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 2 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 31 A S 0 0 117 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 122.0 -3.0 30.3 47.4 2 32 A R - 0 0 49 1,-0.1 5,-0.0 745,-0.0 2,-0.0 -0.451 360.0 -88.5 -78.9 157.4 -2.1 27.3 45.3 3 33 A S - 0 0 36 5,-0.1 -1,-0.1 -2,-0.1 24,-0.1 -0.338 51.1-141.3 -66.9 151.8 -2.0 23.8 46.9 4 34 A Y - 0 0 56 22,-0.4 3,-0.1 -3,-0.1 11,-0.1 -0.886 65.2 -5.1-174.1 138.3 1.2 22.7 48.5 5 35 A P S S+ 0 0 16 0, 0.0 726,-0.3 0, 0.0 725,-0.2 -0.981 125.8 58.2 -73.1 -18.6 3.0 20.4 48.9 6 36 A a S S- 0 0 1 1,-0.1 2,-0.7 724,-0.1 9,-0.2 -0.234 77.7-128.7 -69.4 157.6 0.3 18.3 47.2 7 37 A D E -A 14 0A 21 7,-1.7 7,-2.3 -3,-0.1 2,-0.4 -0.941 29.3-160.9-102.4 107.8 -1.1 18.8 43.7 8 38 A E E A 13 0A 60 -2,-0.7 5,-0.2 5,-0.2 -5,-0.1 -0.752 360.0 360.0 -91.6 134.1 -4.8 18.9 44.1 9 39 A K 0 0 161 3,-2.2 3,-1.8 -2,-0.4 -2,-0.0 -0.985 360.0 360.0-149.9 360.0 -7.0 18.3 41.0 10 ! 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 11 45 A V 0 0 81 0, 0.0 21,-2.7 0, 0.0 22,-0.9 0.000 360.0 360.0 360.0 127.5 -10.9 15.5 44.0 12 46 A I E - b 0 33A 54 -3,-1.8 -3,-2.2 20,-0.2 2,-0.5 -0.824 360.0-141.4-113.3 152.2 -7.5 13.8 44.7 13 47 A A E -Ab 8 34A 1 20,-2.9 22,-2.2 -2,-0.3 2,-0.9 -0.954 7.2-154.4-109.5 127.3 -4.2 15.1 46.1 14 48 A E E +Ab 7 35A 57 -7,-2.3 -7,-1.7 -2,-0.5 22,-0.1 -0.867 30.6 153.8-101.8 103.3 -1.0 13.8 44.6 15 49 A a > + 0 0 0 20,-1.8 3,-0.9 -2,-0.9 5,-0.3 0.292 29.1 132.1-103.8 3.4 1.6 14.1 47.3 16 50 A S T 3 + 0 0 33 19,-0.3 22,-0.2 1,-0.2 23,-0.1 -0.172 68.0 8.2 -62.4 150.6 3.9 11.4 46.0 17 51 A N T 3 S+ 0 0 114 20,-1.6 -1,-0.2 1,-0.1 22,-0.1 0.726 86.1 125.0 59.6 25.1 7.7 11.7 45.6 18 52 A R S < S- 0 0 29 -3,-0.9 -1,-0.1 18,-0.1 21,-0.1 0.318 78.3-116.5 -98.0 5.4 7.8 15.1 47.4 19 53 A R + 0 0 107 19,-0.5 20,-0.1 1,-0.2 2,-0.1 0.758 50.7 175.6 64.7 27.0 10.4 14.2 50.1 20 54 A L - 0 0 19 -5,-0.3 20,-2.2 1,-0.1 21,-0.3 -0.395 27.0-159.5 -64.9 136.5 7.8 14.8 52.8 21 55 A Q S S- 0 0 130 1,-0.2 21,-0.7 19,-0.2 2,-0.3 0.636 74.4 -5.1 -87.7 -12.4 9.0 14.0 56.3 22 56 A E S S- 0 0 129 19,-0.2 -1,-0.2 20,-0.1 18,-0.1 -0.969 96.8 -58.5-173.4 163.1 5.4 13.6 57.6 23 57 A V - 0 0 9 -2,-0.3 2,-0.0 -3,-0.1 -2,-0.0 -0.408 59.6-119.9 -63.0 125.5 1.8 14.0 56.7 24 58 A P - 0 0 14 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.322 13.9-157.5 -67.7 146.9 1.0 17.6 55.6 25 59 A Q S S+ 0 0 150 1,-0.1 -2,-0.1 26,-0.0 24,-0.0 0.508 85.5 77.8 -92.7 -8.9 -1.6 19.7 57.5 26 60 A T + 0 0 78 2,-0.0 -22,-0.4 -22,-0.0 2,-0.2 0.317 63.1 123.2 -89.4 5.9 -2.0 21.8 54.4 27 61 A V - 0 0 14 -3,-0.3 7,-0.0 1,-0.1 -14,-0.0 -0.497 68.3-106.2 -71.7 135.1 -4.2 19.4 52.5 28 62 A G > - 0 0 24 -2,-0.2 3,-0.8 1,-0.1 -1,-0.1 -0.225 16.4-130.4 -61.7 151.1 -7.6 20.7 51.4 29 63 A K T 3 S+ 0 0 132 1,-0.2 -1,-0.1 23,-0.0 25,-0.1 0.640 105.9 61.6 -82.9 -13.8 -10.8 19.6 53.2 30 64 A Y T 3 S+ 0 0 202 -18,-0.0 -1,-0.2 2,-0.0 -2,-0.1 0.651 80.1 122.4 -81.0 -10.7 -12.6 18.7 50.0 31 65 A V < + 0 0 5 -3,-0.8 -19,-0.2 1,-0.1 3,-0.1 -0.226 33.6 173.2 -59.4 130.5 -9.9 16.1 49.4 32 66 A T + 0 0 45 -21,-2.7 24,-2.1 1,-0.3 25,-0.6 0.849 65.1 35.4-100.7 -60.3 -11.1 12.6 49.0 33 67 A E E -bc 12 57A 70 -22,-0.9 -20,-2.9 22,-0.2 2,-0.5 -0.877 64.9-165.7-107.8 132.8 -8.0 10.5 48.0 34 68 A L E -bc 13 58A 3 23,-2.7 25,-2.4 -2,-0.4 2,-0.8 -0.955 4.7-161.9-123.4 118.6 -4.5 11.2 49.3 35 69 A D E +bc 14 59A 47 -22,-2.2 -20,-1.8 -2,-0.5 -19,-0.3 -0.843 22.1 159.7-108.0 103.2 -1.4 9.7 47.7 36 70 A L > + 0 0 0 23,-2.3 3,-0.5 -2,-0.8 5,-0.2 0.153 27.3 141.7-101.3 8.9 1.6 9.8 50.0 37 71 A S T 3 + 0 0 13 22,-0.3 -20,-1.6 1,-0.2 25,-0.2 -0.146 60.3 20.0 -54.5 149.1 3.6 7.1 48.3 38 72 A D T 3 S+ 0 0 56 23,-2.5 -19,-0.5 -22,-0.2 -1,-0.2 0.839 92.7 124.0 61.0 41.2 7.4 7.4 48.0 39 73 A N S < S- 0 0 0 -3,-0.5 26,-0.9 22,-0.3 -1,-0.2 -0.529 71.5-107.5-115.3-174.4 8.0 9.9 50.7 40 74 A F + 0 0 71 -20,-2.2 2,-0.2 24,-0.2 -19,-0.2 0.280 63.5 138.6 -98.6 8.1 10.2 10.0 53.8 41 75 A I + 0 0 0 -21,-0.3 -19,-0.2 -5,-0.2 -2,-0.1 -0.380 23.6 176.6 -64.7 122.6 7.5 9.6 56.5 42 76 A T + 0 0 56 -21,-0.7 28,-2.6 -2,-0.2 2,-0.5 0.831 56.4 50.6 -87.0 -41.6 8.4 7.3 59.3 43 77 A H E -c 70 0B 109 26,-0.2 2,-0.5 28,-0.1 28,-0.2 -0.902 49.4-172.3-122.9 125.4 5.6 7.4 61.8 44 78 A I E +c 71 0B 1 26,-3.0 28,-2.3 -2,-0.5 2,-0.2 -0.945 20.3 165.1-111.9 124.6 1.8 7.0 61.6 45 79 A T >> - 0 0 58 -2,-0.5 3,-2.2 26,-0.2 4,-0.5 -0.778 54.3 -92.0-130.2 169.9 -0.3 7.8 64.7 46 80 A N T 34 S+ 0 0 96 1,-0.3 32,-0.1 -2,-0.2 4,-0.1 0.689 126.5 51.3 -60.0 -17.5 -3.9 8.4 65.5 47 81 A E T 34 S+ 0 0 133 1,-0.1 4,-0.3 2,-0.1 -1,-0.3 0.411 86.6 88.8 -96.3 -0.5 -3.3 12.2 65.0 48 82 A S T <4 S+ 0 0 16 -3,-2.2 3,-0.3 1,-0.2 -2,-0.1 0.972 105.2 18.1 -60.9 -57.4 -1.6 11.8 61.6 49 83 A F S >< S+ 0 0 5 -4,-0.5 3,-3.0 26,-0.3 -1,-0.2 0.307 91.6 119.9 -96.7 6.7 -4.7 12.0 59.5 50 84 A Q T 3 S+ 0 0 116 1,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.786 70.2 54.7 -46.1 -45.0 -6.9 13.6 62.2 51 85 A G T 3 S+ 0 0 62 -4,-0.3 2,-0.6 -3,-0.3 -1,-0.3 0.606 101.8 69.9 -67.4 -11.4 -7.7 16.8 60.3 52 86 A L < + 0 0 18 -3,-3.0 -1,-0.2 1,-0.1 3,-0.2 -0.864 41.9 150.1-114.9 102.3 -9.0 14.7 57.4 53 87 A Q S S+ 0 0 65 -2,-0.6 28,-0.4 1,-0.1 -1,-0.1 0.573 70.6 70.8 -96.1 -11.7 -12.3 12.8 58.0 54 88 A N S S+ 0 0 52 -3,-0.2 -1,-0.1 -25,-0.1 2,-0.1 0.507 70.5 123.9 -83.3 -5.0 -13.2 13.0 54.3 55 89 A L + 0 0 1 -6,-0.2 26,-0.2 -3,-0.2 -22,-0.2 -0.363 22.6 159.2 -68.5 131.1 -10.5 10.5 53.4 56 90 A T + 0 0 34 -24,-2.1 27,-3.8 1,-0.3 28,-1.3 0.712 68.8 32.5-109.1 -55.8 -11.6 7.4 51.5 57 91 A K E -cd 33 84A 63 -25,-0.6 -23,-2.7 26,-0.2 2,-0.4 -0.953 63.6-178.7-113.4 126.7 -8.4 6.2 49.8 58 92 A I E -cd 34 85A 0 26,-2.7 28,-2.6 -2,-0.5 2,-0.7 -0.988 10.0-162.0-125.3 126.2 -4.9 6.6 51.3 59 93 A N E +cd 35 86A 19 -25,-2.4 -23,-2.3 -2,-0.4 -22,-0.3 -0.901 21.6 160.4-110.2 106.2 -1.7 5.5 49.6 60 94 A L + 0 0 0 26,-2.3 3,-0.3 -2,-0.7 27,-0.1 0.166 24.1 157.5 -98.8 10.8 1.3 5.1 51.9 61 95 A N + 0 0 27 25,-0.5 -23,-2.5 1,-0.2 -22,-0.3 -0.057 61.1 4.5 -47.7 136.6 3.3 2.8 49.6 62 96 A H S S- 0 0 40 26,-3.4 -23,-0.3 -25,-0.2 -1,-0.2 0.941 83.1-165.6 53.4 63.9 7.0 2.7 50.1 63 97 A N + 0 0 1 25,-0.3 -1,-0.2 -3,-0.3 -23,-0.2 -0.994 68.9 21.4-124.3 135.5 7.6 4.9 53.2 64 98 A P S S- 0 0 30 0, 0.0 2,-0.5 0, 0.0 -24,-0.2 0.724 95.0-121.8 -74.1 166.7 10.3 5.8 53.9 65 99 A N 0 0 64 -26,-0.9 -2,-0.1 1,-0.2 25,-0.0 -0.631 360.0 360.0 -74.4 121.0 12.1 5.6 50.5 66 100 A V 0 0 120 -2,-0.5 -1,-0.2 -3,-0.0 -3,-0.0 0.248 360.0 360.0-166.1 360.0 15.1 3.2 51.0 67 ! 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 68 113 A G 0 0 62 0, 0.0 2,-0.6 0, 0.0 23,-0.2 0.000 360.0 360.0 360.0 175.9 10.7 0.9 58.3 69 114 A L - 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0 0 76 -3,-2.3 -9,-2.5 -9,-0.3 -1,-0.3 -0.548 60.1-116.2 -77.6 137.3 35.6 34.6 40.4 1495 813 B S B > -R 1484 0P 7 -2,-0.3 3,-2.2 -11,-0.2 4,-0.2 -0.439 24.0-118.9 -66.6 145.1 38.4 32.0 40.7 1496 814 B I G > S+ 0 0 0 -13,-2.6 3,-0.7 -16,-0.4 -1,-0.1 0.790 116.4 50.7 -59.6 -28.7 39.2 30.9 44.2 1497 815 B V G 3 S+ 0 0 22 -14,-0.3 -1,-0.3 -17,-0.2 -13,-0.1 0.474 100.4 65.7 -87.0 -1.7 42.7 32.3 43.9 1498 816 B S G < S+ 0 0 58 -3,-2.2 2,-0.5 2,-0.0 -1,-0.2 0.384 79.4 106.5 -93.9 1.2 41.3 35.6 42.6 1499 817 B L < 0 0 32 -3,-0.7 -8,-0.0 -4,-0.2 -3,-0.0 -0.722 360.0 360.0 -93.1 123.9 39.7 36.3 46.0 1500 818 B E 0 0 219 -2,-0.5 -2,-0.0 0, 0.0 -3,-0.0 -0.844 360.0 360.0-125.0 360.0 41.1 39.0 48.3