==== 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 3W3M . COMPND 2 MOLECULE: TOLL-LIKE RECEPTOR 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.TANJI,U.OHTO,T.SHIMIZU . 751 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 473 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 1 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 . 91 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 3.5 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 3 2 0 0 0 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 . 5 4 26 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 . 1 0 0 0 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 . 3 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 1 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 0 132 0, 0.0 2,-0.6 0, 0.0 722,-0.0 0.000 360.0 360.0 360.0 -11.0 -10.4 -88.5 27.1 2 32 A R - 0 0 37 1,-0.1 2,-0.2 5,-0.0 5,-0.0 -0.755 360.0-115.0 -80.0 119.9 -9.1 -85.9 24.6 3 33 A S - 0 0 29 -2,-0.6 5,-0.1 5,-0.1 28,-0.1 -0.360 38.5-139.6 -66.9 126.9 -12.3 -84.0 23.7 4 34 A Y - 0 0 64 26,-0.3 3,-0.1 -2,-0.2 15,-0.0 -0.997 64.1 -15.4-146.2 145.6 -13.3 -84.4 20.0 5 35 A P S S+ 0 0 11 0, 0.0 728,-0.3 0, 0.0 729,-0.2 -0.951 124.5 70.2 -71.9 -18.0 -14.3 -82.7 17.8 6 36 A a S S- 0 0 0 727,-0.1 2,-0.4 11,-0.1 13,-0.2 -0.370 72.4-142.0 -66.3 128.9 -15.2 -80.1 20.4 7 37 A D E -A 18 0A 15 11,-1.7 11,-3.5 -2,-0.2 2,-0.5 -0.746 23.6-147.8 -81.3 138.4 -12.5 -78.2 22.1 8 38 A E E +A 17 0A 74 -2,-0.4 2,-0.2 9,-0.2 9,-0.2 -0.944 21.7 170.0-120.8 128.4 -13.4 -77.7 25.8 9 39 A K E -A 16 0A 103 7,-2.1 7,-1.6 -2,-0.5 2,-0.4 -0.657 29.3-117.9-122.1 179.5 -12.6 -74.8 28.0 10 40 A K E +A 15 0A 85 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.984 32.4 166.1-127.0 122.0 -13.6 -73.6 31.5 11 41 A Q E > -A 14 0A 117 3,-1.0 3,-1.7 -2,-0.4 -2,-0.0 -0.995 69.2 -3.4-139.5 131.9 -15.4 -70.2 32.1 12 42 A N T 3 S- 0 0 135 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.926 127.2 -60.5 53.4 48.2 -17.2 -69.0 35.2 13 43 A D T 3 S+ 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.268 119.6 115.4 66.2 -10.5 -16.6 -72.4 36.9 14 44 A S E < -A 11 0A 22 -3,-1.7 -3,-1.0 1,-0.0 2,-0.5 -0.061 66.2-117.2 -92.7-175.6 -18.6 -73.7 33.9 15 45 A V E +A 10 0A 31 -5,-0.2 21,-3.4 19,-0.2 22,-1.8 -0.973 27.7 175.7-134.7 118.6 -18.1 -75.9 31.0 16 46 A I E -Ab 9 37A 21 -7,-1.6 -7,-2.1 -2,-0.5 2,-0.5 -0.983 17.0-151.8-132.4 127.2 -18.3 -74.9 27.3 17 47 A A E -Ab 8 38A 0 20,-2.5 22,-1.9 -2,-0.4 2,-0.8 -0.835 10.1-150.9 -94.6 129.9 -17.6 -76.9 24.1 18 48 A E E +Ab 7 39A 68 -11,-3.5 -11,-1.7 -2,-0.5 22,-0.1 -0.867 30.9 155.5-101.9 104.7 -16.5 -75.0 21.1 19 49 A a > + 0 0 0 20,-1.7 3,-1.1 -2,-0.8 5,-0.2 0.350 28.1 135.6-101.9 2.6 -17.6 -76.8 17.9 20 50 A S T 3 + 0 0 34 1,-0.2 22,-0.2 19,-0.1 21,-0.1 -0.098 69.9 6.3 -58.4 148.5 -17.6 -73.8 15.6 21 51 A N T 3 S+ 0 0 103 20,-1.7 -1,-0.2 21,-0.3 22,-0.1 0.670 85.8 130.8 58.8 23.0 -16.2 -73.9 12.1 22 52 A R S < S- 0 0 27 -3,-1.1 3,-0.1 19,-0.3 -1,-0.1 0.346 74.5-118.5 -92.5 6.1 -15.5 -77.6 12.3 23 53 A R + 0 0 114 19,-0.5 2,-0.5 1,-0.2 20,-0.1 0.828 50.0 175.9 60.4 34.5 -17.1 -78.6 9.0 24 54 A L - 0 0 22 -5,-0.2 20,-1.4 1,-0.2 21,-0.4 -0.594 25.5-169.7 -76.7 121.7 -19.6 -80.7 10.9 25 55 A Q S S+ 0 0 156 -2,-0.5 21,-0.9 1,-0.2 2,-0.3 0.739 78.2 16.1 -80.6 -24.3 -22.2 -82.3 8.7 26 56 A E S S- 0 0 94 19,-0.2 -1,-0.2 20,-0.1 18,-0.1 -0.968 95.7 -84.1-145.7 164.5 -24.1 -83.3 11.8 27 57 A V - 0 0 1 20,-0.3 13,-0.0 -2,-0.3 -2,-0.0 -0.523 53.5-116.0 -74.2 115.4 -24.2 -82.6 15.5 28 58 A P - 0 0 13 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.122 18.6-161.7 -56.3 143.0 -21.6 -84.6 17.3 29 59 A Q S S+ 0 0 93 1,-0.2 -2,-0.1 24,-0.0 24,-0.0 0.362 83.0 79.6 -96.9 1.5 -22.7 -87.3 19.9 30 60 A T + 0 0 90 2,-0.1 -26,-0.3 3,-0.0 -1,-0.2 0.317 64.6 135.3 -90.1 5.2 -19.2 -87.2 21.3 31 61 A V - 0 0 9 -3,-0.3 2,-0.2 1,-0.1 7,-0.0 -0.241 68.6 -97.3 -60.4 140.4 -19.9 -84.1 23.3 32 62 A G > - 0 0 22 1,-0.2 3,-2.1 2,-0.1 -1,-0.1 -0.429 29.2-136.4 -60.4 125.2 -18.7 -84.0 26.9 33 63 A K T 3 S+ 0 0 92 1,-0.3 24,-0.7 -2,-0.2 25,-0.4 0.653 100.3 59.6 -63.1 -17.1 -21.7 -84.8 29.1 34 64 A Y T 3 S+ 0 0 178 22,-0.1 -1,-0.3 23,-0.1 -19,-0.2 0.645 77.1 134.9 -82.7 -13.6 -20.9 -82.0 31.6 35 65 A V < - 0 0 0 -3,-2.1 -19,-0.2 1,-0.1 3,-0.1 -0.019 31.5-179.8 -56.0 125.9 -21.2 -79.3 28.9 36 66 A T S S+ 0 0 25 -21,-3.4 24,-2.1 1,-0.2 25,-1.3 0.824 73.9 36.5 -83.7 -42.2 -23.1 -76.1 29.8 37 67 A E E -bc 16 61A 60 -22,-1.8 -20,-2.5 22,-0.2 2,-0.5 -0.959 63.9-169.4-124.1 128.4 -22.6 -74.2 26.5 38 68 A L E -bc 17 62A 3 23,-2.2 25,-2.3 -2,-0.5 2,-0.8 -0.938 2.8-166.4-121.0 114.6 -22.5 -75.8 23.0 39 69 A D E +bc 18 63A 42 -22,-1.9 -20,-1.7 -2,-0.5 -19,-0.1 -0.856 21.6 158.7-104.5 106.2 -21.4 -73.8 20.0 40 70 A L + 0 0 0 23,-2.5 5,-0.2 -2,-0.8 3,-0.2 0.310 31.3 144.3 -99.6 4.5 -22.3 -75.4 16.6 41 71 A S + 0 0 15 22,-0.5 -20,-1.7 1,-0.2 -19,-0.3 0.006 58.2 17.2 -55.0 147.9 -22.1 -72.1 14.8 42 72 A D S S+ 0 0 45 23,-2.8 -19,-0.5 -22,-0.2 -21,-0.3 0.933 95.7 128.4 57.9 53.3 -20.7 -71.9 11.2 43 73 A N - 0 0 1 23,-0.4 26,-2.0 22,-0.4 -1,-0.2 -0.650 69.9-109.0-125.7-175.2 -21.1 -75.6 10.3 44 74 A F + 0 0 93 -20,-1.4 2,-0.2 24,-0.3 -19,-0.2 0.284 61.9 139.5 -97.2 7.3 -22.5 -77.9 7.7 45 75 A I + 0 0 1 -21,-0.4 -19,-0.2 -5,-0.2 -2,-0.1 -0.368 23.2 176.0 -67.0 121.1 -25.4 -79.3 9.7 46 76 A T + 0 0 67 -21,-0.9 28,-2.0 -2,-0.2 2,-0.3 0.458 58.3 50.4-100.4 -4.2 -28.6 -79.7 7.7 47 77 A H E -c 74 0B 103 -22,-0.3 2,-0.4 26,-0.2 -20,-0.3 -0.989 49.8-171.2-143.4 144.2 -30.9 -81.4 10.2 48 78 A I E +c 75 0B 0 26,-2.3 28,-1.7 -2,-0.3 2,-0.2 -1.000 22.6 150.7-132.7 136.0 -32.1 -81.1 13.8 49 79 A T - 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0 0 4 -2,-0.7 3,-0.2 -29,-0.2 -27,-0.2 -0.965 16.6-158.3-101.0 113.1 -3.4 -79.7 20.5 731 796 A P + 0 0 22 0, 0.0 -27,-0.3 0, 0.0 -26,-0.2 -0.425 65.3 32.2 -79.5 164.1 -6.1 -77.4 18.9 732 797 A R > + 0 0 107 -2,-0.1 3,-0.9 1,-0.1 4,-0.3 0.905 63.3 169.5 57.0 52.6 -7.9 -77.9 15.6 733 798 A L T 3 S+ 0 0 2 1,-0.3 17,-0.4 -728,-0.3 16,-0.2 0.625 76.3 57.0 -76.0 -15.7 -7.9 -81.7 15.8 734 799 A V T 3 S+ 0 0 9 -729,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.659 106.5 53.7 -80.2 -20.6 -10.3 -81.9 12.9 735 800 A D S < S+ 0 0 31 -3,-0.9 -29,-1.2 2,-0.1 2,-0.9 0.418 82.6 88.7 -97.8 -0.1 -7.6 -80.0 11.0 736 801 A V S S- 0 0 5 -4,-0.3 13,-1.5 -31,-0.2 2,-0.5 -0.883 72.6-175.0 -91.6 109.0 -4.8 -82.4 11.8 737 802 A I B -K 748 0I 50 -2,-0.9 -28,-1.0 -30,-0.3 11,-0.3 -0.910 28.5-118.9-126.5 127.0 -5.4 -84.5 8.8 738 803 A f B -j 709 0H 1 9,-3.4 8,-1.5 -2,-0.5 -28,-0.2 -0.252 24.3-171.4 -54.6 138.8 -3.9 -87.8 7.6 739 804 A A + 0 0 3 -30,-5.4 -29,-0.2 1,-0.5 -1,-0.1 0.787 50.3 55.2 -93.1 -77.2 -2.2 -87.5 4.2 740 805 A S S S+ 0 0 30 -31,-0.3 -29,-7.1 -32,-0.1 -1,-0.5 -0.702 73.4 55.0-109.2 153.8 -1.3 -91.0 2.9 741 806 A P S >> S- 0 0 44 0, 0.0 3,-1.5 0, 0.0 4,-0.7 0.563 79.0-127.1 -72.2 164.9 -2.4 -93.7 2.3 742 807 A G T 34 S+ 0 0 70 1,-0.3 3,-0.2 2,-0.2 -2,-0.1 0.698 106.7 63.2 -55.8 -23.4 -5.1 -92.6 -0.1 743 808 A D T 34 S+ 0 0 128 1,-0.2 -1,-0.3 3,-0.0 -3,-0.1 0.874 109.2 38.2 -66.6 -39.3 -7.7 -94.5 1.9 744 809 A Q T X4 S+ 0 0 36 -3,-1.5 3,-2.1 2,-0.1 -6,-0.3 0.421 84.3 130.5 -96.5 -1.3 -7.2 -92.3 5.0 745 810 A R T 3< S+ 0 0 156 -4,-0.7 -6,-0.2 1,-0.3 3,-0.1 -0.321 75.5 19.2 -56.9 127.9 -6.7 -89.0 3.2 746 811 A G T 3 S+ 0 0 47 -8,-1.5 2,-0.3 1,-0.3 -1,-0.3 0.123 98.6 116.9 97.7 -20.3 -8.9 -86.3 4.7 747 812 A K S < S- 0 0 83 -3,-2.1 -9,-3.4 -9,-0.1 -1,-0.3 -0.619 71.7-108.6 -86.4 139.2 -9.4 -88.2 8.0 748 813 A S B > -K 737 0I 5 -2,-0.3 3,-1.6 -11,-0.3 -11,-0.3 -0.326 21.9-126.3 -59.9 144.4 -8.2 -86.8 11.3 749 814 A I T 3 S+ 0 0 10 -13,-1.5 -1,-0.1 1,-0.3 -12,-0.1 0.775 107.1 71.6 -63.1 -26.0 -5.2 -88.6 12.8 750 815 A V T 3 S+ 0 0 35 -17,-0.4 2,-0.6 -14,-0.4 -1,-0.3 0.582 89.7 68.9 -70.3 -9.5 -7.2 -89.0 16.0 751 816 A S S < S+ 0 0 46 -3,-1.6 2,-0.3 2,-0.0 -1,-0.1 -0.924 72.5 118.2-111.8 106.8 -9.3 -91.6 14.1 752 817 A L 0 0 50 -2,-0.6 -3,-0.0 -36,-0.0 -39,-0.0 -0.989 360.0 360.0-161.2 161.3 -7.3 -94.7 13.3 753 818 A E 0 0 140 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.506 360.0 360.0 -67.8 360.0 -7.1 -98.5 13.9