==== 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 3W3J . 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) . 58865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 983 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 254 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.8 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 . 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 . 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 . 170 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 242 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 10 4 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 RESIDUES PER ALPHA HELIX . 2 12 50 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 PARALLEL BRIDGES PER LADDER . 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 12 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 0 130 0, 0.0 2,-0.1 0, 0.0 720,-0.1 0.000 360.0 360.0 360.0 132.3 -5.7 29.9 45.5 2 32 A R - 0 0 47 1,-0.1 2,-0.3 718,-0.1 5,-0.0 -0.344 360.0-115.4 -63.8 130.6 -3.1 27.6 43.9 3 33 A S - 0 0 33 5,-0.1 -1,-0.1 -2,-0.1 26,-0.1 -0.479 38.4-142.6 -70.4 127.7 -3.1 24.0 45.2 4 34 A Y - 0 0 67 24,-0.5 3,-0.1 -2,-0.3 13,-0.0 -0.980 65.6 -7.7-147.9 137.0 0.2 23.1 46.9 5 35 A P S S+ 0 0 12 0, 0.0 727,-0.3 0, 0.0 726,-0.1 -0.990 124.2 61.3 -85.4 -14.5 2.0 20.7 47.1 6 36 A a S S- 0 0 1 22,-0.1 2,-0.9 1,-0.1 11,-0.3 -0.426 77.5-128.2 -75.1 142.7 -0.6 18.5 45.3 7 37 A D E -A 16 0A 29 9,-2.9 9,-1.6 -2,-0.1 2,-0.4 -0.813 32.5-155.7 -83.7 104.6 -1.7 19.2 41.7 8 38 A E E +A 15 0A 63 -2,-0.9 2,-0.3 7,-0.2 7,-0.2 -0.726 17.4 175.5 -92.0 130.1 -5.5 19.1 42.2 9 39 A K E -A 14 0A 115 5,-2.5 5,-3.0 -2,-0.4 7,-0.0 -0.992 29.9-136.8-134.1 141.5 -7.8 18.3 39.2 10 40 A K 0 0 89 -2,-0.3 5,-0.1 3,-0.2 -2,-0.0 0.084 360.0 360.0 -92.6 24.2 -11.5 17.9 39.2 11 41 A Q 0 0 106 3,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.176 360.0 360.0 -60.3 360.0 -11.8 14.8 37.0 12 ! 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 13 45 A V 0 0 65 0, 0.0 21,-2.0 0, 0.0 22,-1.8 0.000 360.0 360.0 360.0 106.3 -11.8 15.7 42.6 14 46 A I E -Ab 9 35A 42 -5,-3.0 -5,-2.5 20,-0.2 2,-0.6 -0.810 360.0-155.4-107.3 142.8 -8.4 14.1 42.6 15 47 A A E -Ab 8 36A 0 20,-3.1 22,-1.8 -2,-0.4 2,-0.6 -0.787 10.7-163.3-115.1 84.9 -5.3 15.4 44.4 16 48 A E E +Ab 7 37A 90 -9,-1.6 -9,-2.9 -2,-0.6 22,-0.1 -0.587 28.2 152.0 -66.7 114.1 -2.3 14.1 42.5 17 49 A a > + 0 0 0 20,-1.7 3,-0.6 -2,-0.6 5,-0.2 -0.068 21.4 143.4-137.0 30.8 0.5 14.6 45.0 18 50 A S T 3 + 0 0 28 1,-0.2 22,-0.2 -11,-0.1 20,-0.1 -0.424 62.7 6.7 -81.0 148.2 2.8 11.8 43.9 19 51 A N T 3 S+ 0 0 97 20,-2.3 -1,-0.2 1,-0.1 22,-0.2 0.807 81.8 132.5 56.9 36.7 6.6 11.9 43.9 20 52 A R S < S- 0 0 30 -3,-0.6 -1,-0.1 19,-0.3 3,-0.1 -0.115 76.6-111.7-111.5 34.1 6.8 15.3 45.6 21 53 A R + 0 0 115 19,-0.4 20,-0.1 1,-0.2 2,-0.1 0.650 56.6 170.7 48.0 21.4 9.4 14.5 48.3 22 54 A L - 0 0 19 -5,-0.2 20,-3.8 1,-0.1 -1,-0.2 -0.397 25.8-166.2 -63.2 132.3 6.7 14.8 50.9 23 55 A Q S S+ 0 0 141 18,-0.2 21,-0.7 1,-0.1 22,-0.3 0.452 72.4 9.5 -99.8 -2.0 7.9 13.7 54.3 24 56 A E S S- 0 0 144 19,-0.2 -1,-0.1 20,-0.1 19,-0.1 -0.974 99.2 -65.1-162.2 169.3 4.4 13.6 55.7 25 57 A V - 0 0 13 20,-0.3 2,-0.2 -2,-0.3 4,-0.0 -0.488 62.7-110.8 -63.4 122.5 0.7 13.9 54.8 26 58 A P > - 0 0 12 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.377 22.7-163.8 -61.7 122.6 0.1 17.5 53.5 27 59 A Q T 3 S+ 0 0 175 1,-0.2 -2,-0.1 -2,-0.2 24,-0.0 0.139 86.0 71.1 -89.5 18.9 -2.0 19.5 55.9 28 60 A T T 3 + 0 0 82 2,-0.1 -24,-0.5 3,-0.0 2,-0.3 0.011 67.8 133.4-119.1 23.3 -2.5 21.9 53.0 29 61 A V < - 0 0 18 -3,-0.7 4,-0.0 1,-0.1 7,-0.0 -0.587 65.2-103.6 -78.6 135.9 -4.8 19.7 51.0 30 62 A G > - 0 0 25 -2,-0.3 3,-1.2 1,-0.1 -1,-0.1 -0.284 27.3-127.8 -55.8 141.2 -7.9 21.2 49.5 31 63 A K T 3 S+ 0 0 163 1,-0.3 25,-0.3 -3,-0.1 -1,-0.1 0.885 101.6 60.2 -63.0 -43.2 -11.0 20.3 51.4 32 64 A Y T 3 S+ 0 0 195 2,-0.0 -1,-0.3 24,-0.0 2,-0.2 0.273 76.6 123.4 -76.4 14.3 -13.1 19.0 48.5 33 65 A V < + 0 0 0 -3,-1.2 -19,-0.2 1,-0.2 23,-0.1 -0.543 26.2 165.5 -73.7 139.5 -10.6 16.3 47.7 34 66 A T + 0 0 27 -21,-2.0 24,-4.1 1,-0.3 25,-2.7 0.510 68.4 51.9-124.2 -25.0 -12.0 12.7 47.7 35 67 A E E -bc 14 59A 57 -22,-1.8 -20,-3.1 23,-0.2 2,-0.5 -0.962 67.6-177.1-122.7 115.9 -9.1 11.0 45.9 36 68 A L E -bc 15 60A 3 23,-3.4 25,-2.3 -2,-0.5 2,-0.7 -0.947 9.8-164.5-121.6 115.3 -5.7 11.5 47.3 37 69 A D E +bc 16 61A 29 -22,-1.8 -20,-1.7 -2,-0.5 25,-0.1 -0.888 20.2 160.0-104.1 114.3 -2.6 10.1 45.6 38 70 A L > + 0 0 0 23,-3.1 3,-0.7 -2,-0.7 5,-0.3 0.067 25.6 143.7-118.6 19.9 0.5 10.2 47.9 39 71 A S T 3 + 0 0 8 1,-0.2 -20,-2.3 22,-0.1 -19,-0.3 -0.164 59.3 19.5 -66.4 155.4 2.6 7.5 46.2 40 72 A D T 3 S+ 0 0 46 23,-2.0 -19,-0.4 -22,-0.2 -1,-0.2 0.753 94.9 116.8 58.7 31.7 6.4 7.7 45.9 41 73 A N S < S- 0 0 0 -3,-0.7 26,-3.6 22,-0.3 -18,-0.2 -0.136 77.1 -99.3-104.4-152.8 6.9 10.2 48.7 42 74 A F + 0 0 84 -20,-3.8 2,-0.2 24,-0.3 -19,-0.1 0.035 58.6 149.7-122.5 25.1 8.8 10.0 52.1 43 75 A I + 0 0 0 -5,-0.3 -19,-0.2 1,-0.2 3,-0.1 -0.443 9.1 164.0 -62.1 124.9 5.9 9.4 54.4 44 76 A T + 0 0 57 -21,-0.7 28,-2.7 1,-0.2 2,-0.4 0.586 60.7 49.7-114.9 -24.5 7.2 7.3 57.4 45 77 A H E -c 72 0B 124 -22,-0.3 2,-0.5 26,-0.2 -20,-0.3 -0.969 54.0-173.5-124.5 132.9 4.3 7.8 59.8 46 78 A I E +c 73 0B 0 26,-2.8 28,-2.1 -2,-0.4 2,-0.2 -0.968 20.8 169.3-121.1 115.2 0.5 7.5 59.4 47 79 A T >> - 0 0 47 -2,-0.5 3,-1.3 26,-0.2 4,-0.5 -0.608 51.9-101.4-116.4 175.6 -1.5 8.7 62.4 48 80 A N T 34 S+ 0 0 88 1,-0.3 32,-0.0 -2,-0.2 -1,-0.0 0.466 126.2 53.3 -77.1 -0.3 -5.1 9.4 63.1 49 81 A E T >4 S+ 0 0 133 1,-0.1 3,-0.7 4,-0.0 -1,-0.3 0.360 85.6 86.0-106.5 -2.5 -4.2 13.0 62.7 50 82 A S T <4 S+ 0 0 23 -3,-1.3 2,-0.4 1,-0.3 -2,-0.2 0.898 103.2 26.4 -68.2 -41.0 -2.6 12.4 59.3 51 83 A F T 3< S+ 0 0 11 -4,-0.5 3,-0.3 26,-0.3 -1,-0.3 -0.647 82.9 134.5-119.4 73.2 -6.0 12.8 57.5 52 84 A Q S < S+ 0 0 115 -3,-0.7 3,-0.4 -2,-0.4 2,-0.2 0.947 74.2 34.4 -88.1 -54.0 -7.9 15.0 59.9 53 85 A G S S+ 0 0 50 1,-0.2 -1,-0.2 -4,-0.2 3,-0.1 -0.165 105.5 78.4 -94.8 39.7 -9.6 17.7 57.7 54 86 A L > + 0 0 10 -3,-0.3 3,-2.2 -2,-0.2 -1,-0.2 -0.103 44.7 136.6-136.8 32.9 -10.0 15.2 54.9 55 87 A Q T 3 + 0 0 152 -3,-0.4 28,-0.5 1,-0.3 27,-0.1 0.717 67.5 66.1 -58.3 -21.5 -13.1 13.2 56.1 56 88 A N T 3 S+ 0 0 65 -25,-0.3 -1,-0.3 -23,-0.1 25,-0.1 0.567 74.4 126.7 -78.2 -8.4 -14.5 13.3 52.6 57 89 A L < + 0 0 0 -3,-2.2 26,-0.3 1,-0.1 -22,-0.2 -0.202 27.6 169.3 -55.5 133.1 -11.7 11.1 51.2 58 90 A T + 0 0 14 -24,-4.1 27,-2.8 1,-0.3 28,-2.3 0.615 67.6 36.4-114.4 -26.1 -12.8 8.0 49.3 59 91 A K E +cd 35 86A 46 -25,-2.7 -23,-3.4 26,-0.2 2,-0.4 -0.993 56.9 177.9-134.7 131.3 -9.4 7.0 47.8 60 92 A I E -cd 36 87A 3 26,-2.1 28,-1.8 -2,-0.4 2,-0.6 -0.997 10.5-162.9-126.2 133.1 -5.9 7.1 49.2 61 93 A N E +cd 37 88A 32 -25,-2.3 -23,-3.1 -2,-0.4 28,-0.1 -0.953 20.4 161.2-114.3 110.0 -2.8 5.9 47.4 62 94 A L + 0 0 0 26,-2.5 3,-0.5 -2,-0.6 27,-0.1 0.047 23.5 149.7-113.6 23.1 0.1 5.4 49.8 63 95 A N + 0 0 29 1,-0.2 -23,-2.0 26,-0.1 -22,-0.3 -0.234 62.5 14.6 -57.2 143.6 2.1 3.1 47.5 64 96 A H S S- 0 0 30 26,-3.2 -1,-0.2 -25,-0.2 3,-0.2 0.917 86.5-177.6 57.5 51.0 5.9 3.2 47.7 65 97 A N S S+ 0 0 0 -3,-0.5 6,-0.7 25,-0.4 -1,-0.2 -0.995 71.8 28.8-127.8 125.4 6.2 5.1 51.0 66 98 A P S S- 0 0 21 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.449 101.9-134.6 -77.1 136.5 8.8 5.8 52.1 67 99 A N 0 0 35 -26,-3.6 -2,-0.1 1,-0.3 25,-0.1 -0.403 360.0 360.0 -62.8 118.8 10.1 5.8 48.5 68 100 A V 0 0 114 -2,-0.3 -1,-0.3 -3,-0.0 -3,-0.1 0.729 360.0 360.0 63.8 360.0 13.4 4.0 48.3 69 ! 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 70 113 A G 0 0 62 0, 0.0 23,-0.2 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 140.4 9.6 1.7 56.2 71 114 A L - 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0 0 1 -2,-0.4 3,-0.4 -29,-0.2 -27,-0.2 -0.939 16.6-148.3-117.0 106.7 42.8 22.8 40.7 1479 796 B P S S+ 0 0 23 0, 0.0 -27,-0.4 0, 0.0 -26,-0.3 -0.222 74.0 19.1 -69.6 160.2 42.1 22.5 36.9 1480 797 B R S > S+ 0 0 125 1,-0.1 3,-1.9 2,-0.1 4,-0.1 0.862 71.3 167.8 48.7 44.9 39.7 24.7 34.9 1481 798 B L G > S+ 0 0 10 -3,-0.4 3,-1.1 1,-0.3 17,-0.4 0.741 70.9 63.3 -64.6 -23.5 39.8 27.2 37.8 1482 799 B V G 3 S+ 0 0 5 -726,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.708 100.9 53.7 -72.2 -18.2 38.1 29.7 35.5 1483 800 B D G < S+ 0 0 29 -3,-1.9 -29,-1.9 13,-0.1 2,-1.1 0.325 80.1 97.8 -96.5 4.8 35.2 27.3 35.5 1484 801 B V < + 0 0 0 -3,-1.1 13,-3.0 -31,-0.3 14,-0.4 -0.797 69.1 172.6 -88.8 95.5 35.1 27.3 39.3 1485 802 B I B -R 1496 0P 38 -2,-1.1 -28,-1.1 -30,-0.3 2,-0.4 -0.760 42.2-113.5-124.6 146.6 32.3 29.8 39.4 1486 803 B l E -q 1457 0O 1 9,-2.9 8,-2.5 6,-0.3 9,-0.2 -0.641 20.4-176.6 -71.5 126.4 29.9 31.6 41.7 1487 804 B A E + 0 0 49 -30,-2.4 6,-0.2 -2,-0.4 -29,-0.2 0.629 59.4 86.4 -89.6 -19.7 26.3 30.5 41.0 1488 805 B S E +q 1458 0O 10 -31,-1.5 -29,-2.9 4,-0.1 -1,-0.2 -0.957 61.5 27.9-152.4 161.7 25.2 33.1 43.6 1489 806 B P S >> S- 0 0 38 0, 0.0 3,-2.1 0, 0.0 4,-1.2 0.693 78.1-113.9 -76.4 174.3 24.4 35.7 44.6 1490 807 B G T 34 S+ 0 0 15 1,-0.3 3,-0.2 2,-0.2 -808,-0.0 0.725 112.1 44.8 -42.9 -45.0 22.8 37.4 41.6 1491 808 B D T 34 S+ 0 0 130 1,-0.2 -1,-0.3 3,-0.0 -3,-0.1 0.653 118.4 44.7 -78.6 -15.7 25.4 40.2 41.0 1492 809 B Q T X4 S+ 0 0 50 -3,-2.1 3,-1.6 2,-0.0 -6,-0.3 0.555 86.2 117.0-100.5 -11.9 28.3 37.8 41.6 1493 810 B R T 3< S+ 0 0 59 -4,-1.2 -6,-0.2 1,-0.3 3,-0.1 -0.266 72.1 26.7 -72.0 144.6 27.1 34.9 39.5 1494 811 B G T 3 S+ 0 0 50 -8,-2.5 2,-0.3 1,-0.3 -1,-0.3 0.167 94.6 121.4 90.8 -17.0 29.1 33.8 36.4 1495 812 B K S < S- 0 0 77 -3,-1.6 -9,-2.9 -9,-0.2 -1,-0.3 -0.637 72.8-113.7 -81.1 132.9 32.2 35.2 38.1 1496 813 B S B > -R 1485 0P 10 -2,-0.3 3,-1.2 -11,-0.2 -11,-0.3 -0.424 26.3-126.3 -54.5 136.4 35.1 32.9 38.7 1497 814 B I G > S+ 0 0 0 -13,-3.0 3,-1.0 -16,-0.3 -1,-0.1 0.784 108.9 61.3 -64.0 -24.7 35.4 32.5 42.5 1498 815 B V G 3 S+ 0 0 35 -14,-0.4 -1,-0.3 -17,-0.4 -16,-0.1 0.785 96.8 60.3 -70.0 -25.5 39.1 33.5 42.2 1499 816 B S G < 0 0 66 -3,-1.2 -1,-0.2 -17,-0.1 -2,-0.2 0.251 360.0 360.0 -88.5 13.9 38.1 36.9 40.7 1500 817 B L < 0 0 69 -3,-1.0 -8,-0.0 -5,-0.1 -3,-0.0 -0.729 360.0 360.0 -98.4 360.0 36.1 38.1 43.7