==== 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 3W3N . COMPND 2 MOLECULE: TOLL-LIKE RECEPTOR 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.TANJI,U.OHTO,T.SHIMIZU . 1500 6 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 970 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 251 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 1.0 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 . 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 . 172 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 232 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 4.1 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+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 12 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 11 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 0 0 1 1 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 1 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 0 124 0, 0.0 2,-0.6 0, 0.0 722,-0.0 0.000 360.0 360.0 360.0 32.2 -21.6 39.8 59.1 2 32 A R - 0 0 41 727,-0.0 721,-0.0 1,-0.0 720,-0.0 -0.915 360.0-114.3-102.4 116.1 -20.6 37.1 56.7 3 33 A S - 0 0 35 -2,-0.6 28,-0.1 2,-0.1 5,-0.1 -0.138 36.1-142.4 -60.4 138.5 -16.9 37.5 55.6 4 34 A Y - 0 0 76 26,-0.4 3,-0.1 1,-0.1 15,-0.0 -0.960 64.4 -7.7-157.8 136.3 -16.2 38.4 52.0 5 35 A P S S+ 0 0 7 0, 0.0 729,-0.3 0, 0.0 728,-0.1 -0.999 121.3 62.2 -88.1 -4.9 -14.2 37.8 49.9 6 36 A a S S- 0 0 5 24,-0.1 2,-0.5 727,-0.1 13,-0.2 -0.281 73.3-129.6 -79.8 161.9 -11.9 36.0 52.3 7 37 A D E -A 18 0A 19 11,-2.3 11,-3.2 -3,-0.1 2,-0.3 -0.971 23.6-146.2-107.3 121.4 -12.6 32.8 54.4 8 38 A E E -A 17 0A 55 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.696 17.7-174.2 -89.6 141.3 -11.8 33.3 58.0 9 39 A K E -A 16 0A 99 7,-2.2 7,-2.6 -2,-0.3 2,-0.5 -0.999 25.5-123.6-138.7 134.0 -10.5 30.4 60.0 10 40 A K E +A 15 0A 89 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.686 36.0 171.8 -78.9 122.3 -9.7 29.9 63.6 11 41 A Q E > -A 14 0A 71 3,-3.5 3,-1.6 -2,-0.5 -2,-0.1 -0.958 61.9 -28.4-135.9 116.3 -6.1 28.9 64.1 12 42 A N T 3 S- 0 0 143 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.908 125.3 -40.6 46.1 66.1 -4.4 28.6 67.5 13 43 A D T 3 S+ 0 0 171 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.434 127.0 86.9 67.7 1.6 -6.3 31.3 69.4 14 44 A S E < S-A 11 0A 47 -3,-1.6 -3,-3.5 -5,-0.0 2,-0.5 -0.852 73.0-123.7-129.7 163.8 -6.3 33.6 66.4 15 45 A V E -A 10 0A 45 19,-0.4 21,-2.4 -2,-0.3 22,-0.6 -0.930 26.1-171.3-107.9 125.2 -8.3 34.3 63.2 16 46 A I E -Ab 9 37A 16 -7,-2.6 -7,-2.2 -2,-0.5 2,-0.6 -0.811 18.8-128.8-111.0 156.8 -6.5 34.1 59.8 17 47 A A E -Ab 8 38A 2 20,-3.3 22,-2.6 -2,-0.3 2,-0.8 -0.923 10.6-160.3-111.7 116.9 -7.9 35.1 56.5 18 48 A E E +Ab 7 39A 72 -11,-3.2 -11,-2.3 -2,-0.6 22,-0.1 -0.835 32.3 147.0 -92.6 106.1 -7.7 32.7 53.5 19 49 A a + 0 0 0 20,-2.0 3,-0.4 -2,-0.8 5,-0.2 0.077 24.4 132.2-129.8 21.6 -8.1 34.9 50.5 20 50 A S + 0 0 32 1,-0.2 22,-0.2 2,-0.1 20,-0.1 -0.398 65.1 10.6 -81.2 152.4 -5.9 33.2 47.9 21 51 A N S S+ 0 0 108 20,-2.4 -1,-0.2 1,-0.1 22,-0.2 0.858 80.8 126.3 57.5 47.7 -6.9 32.3 44.3 22 52 A R S S- 0 0 33 -3,-0.4 3,-0.1 18,-0.1 21,-0.1 0.062 80.3-108.9-123.7 20.4 -10.1 34.4 44.1 23 53 A R + 0 0 123 19,-0.5 2,-0.2 1,-0.2 20,-0.1 0.752 55.0 176.5 58.3 25.8 -9.4 36.4 41.0 24 54 A L - 0 0 23 -5,-0.2 20,-2.4 1,-0.2 -1,-0.2 -0.428 25.6-159.8 -65.6 132.2 -9.0 39.5 43.2 25 55 A Q S S- 0 0 133 1,-0.2 21,-0.7 -2,-0.2 2,-0.3 0.615 74.2 -2.7 -87.2 -15.3 -8.0 42.6 41.2 26 56 A E S S- 0 0 138 19,-0.2 -1,-0.2 20,-0.1 19,-0.1 -0.976 97.4 -61.8-165.8 166.1 -6.7 44.3 44.3 27 57 A V - 0 0 8 20,-0.5 2,-0.1 -2,-0.3 13,-0.0 -0.431 60.4-120.7 -60.1 117.7 -6.3 44.0 48.1 28 58 A P > - 0 0 17 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.378 13.1-152.6 -64.9 136.8 -9.9 43.7 49.5 29 59 A Q T 3 S+ 0 0 110 1,-0.2 -2,-0.1 -2,-0.1 24,-0.0 0.261 85.0 75.8 -94.4 11.2 -10.7 46.5 52.0 30 60 A T T 3 + 0 0 92 2,-0.1 -26,-0.4 -26,-0.0 2,-0.2 0.079 61.5 135.1-109.9 19.6 -13.2 44.3 53.8 31 61 A V < - 0 0 10 -3,-0.5 2,-0.1 1,-0.1 7,-0.0 -0.527 69.4 -97.4 -71.1 134.6 -10.7 42.1 55.6 32 62 A G > - 0 0 14 -2,-0.2 3,-2.0 1,-0.2 -1,-0.1 -0.323 27.9-134.4 -54.4 126.3 -11.6 41.6 59.3 33 63 A K T 3 S+ 0 0 105 1,-0.3 25,-0.6 23,-0.1 24,-0.3 0.663 101.2 56.1 -59.8 -18.2 -9.6 44.1 61.4 34 64 A Y T 3 S+ 0 0 127 23,-0.1 -19,-0.4 22,-0.1 -1,-0.3 0.437 75.6 124.6 -96.0 -3.2 -8.6 41.4 63.9 35 65 A V < - 0 0 0 -3,-2.0 -19,-0.2 1,-0.1 23,-0.2 -0.314 40.5-168.0 -65.8 142.1 -7.0 38.9 61.4 36 66 A T S S+ 0 0 21 -21,-2.4 24,-3.4 1,-0.3 25,-1.3 0.641 73.1 34.1-103.8 -22.0 -3.4 38.0 62.3 37 67 A E E -bc 16 61A 47 -22,-0.6 -20,-3.3 23,-0.2 2,-0.4 -0.999 64.1-166.7-137.8 140.9 -2.5 36.3 59.0 38 68 A L E -bc 17 62A 2 23,-2.5 25,-2.7 -2,-0.4 2,-0.8 -0.953 4.1-165.5-135.2 111.3 -3.6 37.2 55.4 39 69 A D E +bc 18 63A 50 -22,-2.6 -20,-2.0 -2,-0.4 25,-0.2 -0.854 22.1 157.0 -99.5 105.7 -3.0 34.9 52.4 40 70 A L > + 0 0 0 23,-3.1 3,-0.5 -2,-0.8 5,-0.2 0.066 28.5 140.1-112.0 21.6 -3.6 36.9 49.2 41 71 A S T 3 + 0 0 6 1,-0.2 -20,-2.4 22,-0.1 25,-0.2 -0.128 56.2 25.4 -66.2 161.3 -1.5 34.6 47.0 42 72 A D T 3 S+ 0 0 51 23,-2.3 -19,-0.5 -22,-0.2 -1,-0.2 0.801 92.4 121.2 56.0 35.9 -2.5 33.6 43.4 43 73 A N S < S- 0 0 0 -3,-0.5 26,-2.5 22,-0.3 -1,-0.2 -0.380 74.6-107.7-108.7-164.9 -4.7 36.6 42.7 44 74 A F + 0 0 79 -20,-2.4 2,-0.1 24,-0.3 23,-0.1 0.009 61.7 145.6-114.5 26.1 -4.5 39.3 40.1 45 75 A I + 0 0 0 -5,-0.2 -19,-0.2 1,-0.1 -20,-0.1 -0.432 18.2 170.9 -68.3 134.3 -3.4 42.1 42.4 46 76 A T + 0 0 52 -21,-0.7 28,-3.4 1,-0.2 2,-0.4 0.543 56.6 54.5-119.2 -15.1 -1.0 44.6 40.7 47 77 A H E -c 74 0B 106 26,-0.2 -20,-0.5 28,-0.1 2,-0.4 -0.979 47.6-178.8-133.6 134.8 -0.7 47.4 43.3 48 78 A I E +c 75 0B 0 26,-2.9 28,-2.3 -2,-0.4 2,-0.2 -0.995 19.3 159.9-126.2 124.1 0.3 47.6 46.9 49 79 A T > - 0 0 44 -2,-0.4 3,-1.3 26,-0.2 4,-0.4 -0.717 58.5 -89.8-128.8-177.1 0.3 51.0 48.7 50 80 A N T 3 S+ 0 0 93 1,-0.2 32,-0.0 -2,-0.2 29,-0.0 0.471 125.7 59.2 -74.5 -0.1 0.2 52.3 52.3 51 81 A E T > S+ 0 0 139 1,-0.1 3,-0.6 2,-0.1 -1,-0.2 0.500 84.3 81.4 -99.4 -9.6 -3.6 52.2 51.9 52 82 A S T < S+ 0 0 14 -3,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.836 103.8 24.3 -68.1 -35.0 -3.8 48.5 51.1 53 83 A F T > S+ 0 0 0 -4,-0.4 3,-1.4 26,-0.3 -1,-0.2 0.028 81.1 153.7-126.0 28.1 -3.7 47.2 54.7 54 84 A Q T < + 0 0 88 -3,-0.6 -3,-0.1 1,-0.2 3,-0.0 -0.264 66.5 17.4 -59.7 138.4 -5.0 50.1 56.9 55 85 A G T 3 S+ 0 0 48 1,-0.1 2,-1.8 27,-0.1 -1,-0.2 0.333 81.9 123.2 88.2 -8.3 -6.5 49.2 60.2 56 86 A L X + 0 0 8 -3,-1.4 3,-1.5 1,-0.2 -1,-0.1 -0.504 33.3 170.7 -87.6 71.4 -5.1 45.6 60.4 57 87 A Q T 3 S+ 0 0 142 -2,-1.8 28,-0.4 -24,-0.3 -1,-0.2 0.816 70.9 37.0 -52.7 -43.1 -3.4 46.3 63.8 58 88 A N T 3 S+ 0 0 70 -25,-0.6 2,-0.4 -23,-0.2 -1,-0.3 0.197 76.6 137.0-103.7 16.0 -2.4 42.7 64.6 59 89 A L < + 0 0 1 -3,-1.5 26,-0.2 1,-0.2 -22,-0.2 -0.501 17.5 166.4 -67.8 117.0 -1.5 41.4 61.1 60 90 A T + 0 0 48 -24,-3.4 28,-2.5 -2,-0.4 27,-2.5 0.609 59.9 37.9-107.4 -17.8 1.8 39.4 61.5 61 91 A K E -cd 37 88A 56 -25,-1.3 -23,-2.5 26,-0.2 2,-0.4 -0.993 54.1-177.1-143.4 132.7 1.9 37.6 58.2 62 92 A I E -cd 38 89A 0 26,-2.2 28,-2.5 -2,-0.4 2,-0.6 -0.994 8.1-163.3-128.8 127.3 1.1 38.5 54.6 63 93 A N E +cd 39 90A 25 -25,-2.7 -23,-3.1 -2,-0.4 -22,-0.1 -0.945 22.1 157.7-108.6 115.5 1.3 36.1 51.6 64 94 A L > + 0 0 0 26,-2.6 3,-0.5 -2,-0.6 27,-0.1 0.062 22.0 150.8-121.2 21.1 1.3 37.9 48.3 65 95 A N T 3 + 0 0 13 1,-0.2 -23,-2.3 25,-0.1 -22,-0.3 -0.221 62.3 16.7 -57.4 142.4 3.0 35.1 46.2 66 96 A H T 3 S- 0 0 43 26,-2.4 -1,-0.2 -25,-0.2 28,-0.2 0.894 83.9-178.6 62.0 47.3 2.1 34.9 42.5 67 97 A N < + 0 0 0 -3,-0.5 6,-0.3 25,-0.4 -1,-0.2 -0.996 69.6 27.4-121.4 130.4 0.5 38.3 42.0 68 98 A P S S- 0 0 22 0, 0.0 2,-1.3 0, 0.0 -1,-0.3 0.618 94.3-135.6 -78.8 149.6 -0.5 39.0 39.4 69 99 A N 0 0 60 -26,-2.5 -2,-0.1 -2,-0.1 25,-0.1 -0.551 360.0 360.0 -74.8 95.2 -1.3 35.4 38.4 70 100 A V 0 0 125 -2,-1.3 -4,-0.0 0, 0.0 -3,-0.0 -0.464 360.0 360.0 59.3 360.0 0.0 35.3 34.9 71 ! 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 72 113 A G 0 0 54 0, 0.0 2,-0.6 0, 0.0 23,-0.2 0.000 360.0 360.0 360.0 124.7 4.5 42.7 37.7 73 114 A L - 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0 0 7 -2,-0.5 3,-0.3 -29,-0.2 -27,-0.2 -0.964 21.6-140.2-114.1 114.4 -24.8 24.2 9.8 1484 796 B P + 0 0 18 0, 0.0 -27,-0.4 0, 0.0 -26,-0.2 -0.275 66.5 6.0 -80.2 159.1 -25.4 20.8 11.6 1485 797 B R > - 0 0 109 1,-0.1 3,-1.7 2,-0.1 4,-0.3 0.881 62.0-176.0 26.3 76.5 -27.9 19.9 14.3 1486 798 B L T 3 S+ 0 0 9 1,-0.3 3,-0.4 -3,-0.3 16,-0.3 0.662 78.1 68.1 -66.2 -17.2 -29.8 23.1 14.4 1487 799 B V T 3 S+ 0 0 15 -729,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.586 101.9 46.5 -81.0 -9.9 -31.8 21.8 17.3 1488 800 B D S < S+ 0 0 39 -3,-1.7 -29,-2.0 -4,-0.1 2,-0.9 0.336 91.1 85.7-110.0 -0.6 -28.6 21.9 19.4 1489 801 B V S S+ 0 0 0 -3,-0.4 13,-1.5 -31,-0.3 2,-0.4 -0.907 76.7 169.4 -92.6 102.1 -27.9 25.4 18.2 1490 802 B I B -S 1501 0P 49 -2,-0.9 -28,-0.9 -30,-0.4 11,-0.3 -0.940 42.5-111.2-137.8 135.6 -30.0 26.9 20.9 1491 803 B l E -r 1462 0O 0 9,-2.9 8,-1.8 -2,-0.4 -28,-0.2 -0.370 18.6-170.4 -59.4 135.0 -30.9 30.2 22.5 1492 804 B A E + 0 0 36 -30,-5.3 -29,-0.2 1,-0.3 -1,-0.2 0.656 58.6 85.5 -94.0 -24.3 -29.7 30.6 26.1 1493 805 B S E +r 1463 0O 47 -31,-1.3 -29,-4.9 4,-0.1 -1,-0.3 -0.983 66.5 21.8-153.7 153.8 -31.7 33.7 26.6 1494 806 B P S >> S- 0 0 55 0, 0.0 4,-1.0 0, 0.0 3,-0.9 0.636 73.5-115.8 -85.3-178.8 -34.2 35.1 27.3 1495 807 B G T 34 S+ 0 0 68 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 0.705 111.8 52.6 -48.0 -31.9 -36.3 32.8 29.4 1496 808 B D T 34 S+ 0 0 117 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.876 117.7 35.0 -76.5 -38.9 -39.2 32.6 26.9 1497 809 B Q T X4 S+ 0 0 36 -3,-0.9 3,-1.8 -33,-0.1 -6,-0.3 0.407 92.4 126.2 -91.8 0.4 -37.0 31.6 23.9 1498 810 B R T 3< S+ 0 0 152 -4,-1.0 -6,-0.2 1,-0.3 3,-0.1 -0.406 72.3 19.8 -67.3 129.0 -34.7 29.5 26.2 1499 811 B G T 3 S+ 0 0 47 -8,-1.8 2,-0.3 1,-0.3 -1,-0.3 0.279 102.2 115.2 97.8 -7.9 -34.3 25.9 25.1 1500 812 B K S < S- 0 0 92 -3,-1.8 -9,-2.9 -9,-0.2 -1,-0.3 -0.661 72.0-104.8-101.1 150.5 -35.3 26.7 21.6 1501 813 B S B > -S 1490 0P 2 -2,-0.3 3,-2.2 -11,-0.3 -11,-0.3 -0.414 28.6-121.9 -68.4 145.5 -33.4 26.6 18.3 1502 814 B I T 3 S+ 0 0 5 -13,-1.5 -1,-0.1 -16,-0.3 -12,-0.1 0.697 109.8 68.8 -63.6 -18.8 -32.3 30.0 16.9 1503 815 B V T 3 S+ 0 0 39 -14,-0.3 2,-0.7 -17,-0.3 -1,-0.3 0.577 86.0 81.9 -75.7 -8.8 -34.2 29.2 13.7 1504 816 B S < 0 0 41 -3,-2.2 -1,-0.1 -7,-0.1 -4,-0.1 -0.871 360.0 360.0-102.5 108.8 -37.4 29.5 15.7 1505 817 B L 0 0 108 -2,-0.7 -40,-0.0 0, 0.0 -3,-0.0 -0.755 360.0 360.0-166.0 360.0 -38.5 33.1 16.1