==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 23-JUL-12 4G8A . COMPND 2 MOLECULE: TOLL-LIKE RECEPTOR 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.OHTO,T.SHIMIZU . 1486 4 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1071 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 293 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 194 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 214 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 3.2 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 3 0 0 0 0 4 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 . 9 18 36 0 6 0 4 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 2 4 0 2 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 7 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 27 A E 0 0 142 0, 0.0 4,-0.1 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0 88.6 -10.5 26.3 -81.5 2 28 A P + 0 0 83 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.431 360.0 109.8 -80.5 -4.2 -13.2 27.3 -78.9 3 29 A a S S- 0 0 13 1,-0.1 2,-0.3 11,-0.1 11,-0.2 -0.445 79.4-112.2 -64.9 141.2 -13.1 23.4 -78.4 4 30 A V E -A 13 0A 88 9,-2.3 9,-1.7 -2,-0.1 2,-1.2 -0.579 17.6-132.6 -76.7 137.3 -11.6 22.3 -75.1 5 31 A E E +A 12 0A 115 -2,-0.3 7,-0.2 7,-0.2 -1,-0.1 -0.732 35.7 166.5 -89.4 87.8 -8.3 20.4 -75.2 6 32 A V E S+ 0 0 73 -2,-1.2 -1,-0.2 5,-1.0 6,-0.2 0.942 77.1 7.6 -71.7 -49.4 -9.1 17.5 -73.0 7 33 A V E >> S-A 11 0A 67 4,-2.0 3,-2.6 -3,-0.2 4,-2.2 -0.918 95.1-112.5-134.2 110.6 -6.1 15.3 -74.0 8 34 A P T 34 S- 0 0 74 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.032 96.9 -2.3 -43.8 134.4 -3.6 17.1 -76.2 9 35 A N T 34 S+ 0 0 97 1,-0.2 3,-0.1 2,-0.1 -4,-0.0 0.362 137.4 55.7 64.5 -2.8 -3.4 15.7 -79.8 10 36 A I T <4 S+ 0 0 56 -3,-2.6 21,-2.8 1,-0.3 22,-1.9 0.774 99.8 29.7-122.2 -63.6 -6.0 13.1 -78.7 11 37 A T E < -Ab 7 32A 27 -4,-2.2 -4,-2.0 20,-0.2 -5,-1.0 -0.940 54.4-177.7-122.2 127.4 -9.4 14.1 -77.2 12 38 A Y E -Ab 5 33A 13 20,-2.4 22,-2.4 -2,-0.4 2,-1.0 -0.980 18.9-149.5-132.1 126.2 -11.4 17.3 -77.9 13 39 A Q E +Ab 4 34A 54 -9,-1.7 -9,-2.3 -2,-0.4 22,-0.1 -0.773 25.8 163.1 -91.0 96.3 -14.7 18.5 -76.4 14 40 A a > + 0 0 0 20,-2.5 3,-0.5 -2,-1.0 5,-0.2 -0.045 28.6 149.3-100.3 31.5 -16.4 20.6 -79.1 15 41 A M T 3 - 0 0 43 1,-0.2 22,-0.2 2,-0.1 20,-0.1 -0.467 60.3 -7.0 -79.6 131.1 -19.7 20.3 -77.2 16 42 A E T 3 S+ 0 0 60 20,-2.5 -1,-0.2 -2,-0.2 22,-0.1 0.911 85.7 126.1 59.7 57.0 -22.4 23.0 -77.3 17 43 A L S < S- 0 0 66 -3,-0.5 21,-0.1 19,-0.2 -1,-0.1 0.167 81.0-102.0-131.2 13.8 -20.5 25.7 -79.3 18 44 A N + 0 0 120 19,-0.4 2,-0.4 1,-0.2 20,-0.1 0.752 52.9 176.6 71.9 25.0 -22.9 26.5 -82.2 19 45 A F - 0 0 33 -5,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.520 17.3-177.8 -65.3 119.5 -21.0 24.5 -84.8 20 46 A Y S S+ 0 0 175 -2,-0.4 2,-0.3 18,-0.1 22,-0.2 0.576 77.1 16.2 -87.1 -19.6 -23.0 24.7 -88.1 21 47 A K S S- 0 0 153 -3,-0.1 -1,-0.1 20,-0.1 3,-0.1 -0.915 99.9 -70.7-147.4 175.8 -20.2 22.4 -89.5 22 48 A I - 0 0 27 -2,-0.3 -2,-0.0 1,-0.1 13,-0.0 -0.487 54.5-103.4 -77.8 132.3 -17.4 20.1 -88.5 23 49 A P - 0 0 1 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.253 32.6-178.5 -52.7 133.5 -14.2 21.6 -87.0 24 50 A D S S+ 0 0 130 1,-0.1 -2,-0.0 -3,-0.1 24,-0.0 0.375 70.1 75.3-112.3 -3.4 -11.3 21.8 -89.4 25 51 A N S S+ 0 0 57 2,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.062 72.9 103.0-104.9 31.3 -8.8 23.3 -87.0 26 52 A L S S- 0 0 16 -3,-0.2 4,-0.1 1,-0.1 -14,-0.0 -0.819 81.4 -82.6-114.3 153.1 -8.1 20.2 -84.9 27 53 A P > - 0 0 32 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.096 31.0-127.1 -48.6 148.6 -5.0 17.9 -84.9 28 54 A F T 3 S+ 0 0 163 1,-0.2 25,-0.9 23,-0.1 26,-0.1 0.729 108.5 64.2 -66.1 -21.4 -5.0 15.1 -87.6 29 55 A S T 3 + 0 0 43 23,-0.1 2,-0.4 24,-0.1 -1,-0.2 0.011 68.4 144.0 -96.3 24.4 -4.4 12.7 -84.7 30 56 A T < + 0 0 0 -3,-1.0 -20,-0.2 1,-0.2 -19,-0.2 -0.528 18.7 173.0 -68.7 122.2 -7.7 13.3 -82.9 31 57 A K + 0 0 53 -21,-2.8 24,-3.2 -2,-0.4 25,-2.2 0.856 68.0 35.7 -96.0 -46.6 -8.9 10.0 -81.4 32 58 A N E +bc 11 56A 54 -22,-1.9 -20,-2.4 23,-0.2 2,-0.5 -0.941 67.9 178.9-116.4 114.6 -11.9 11.1 -79.3 33 59 A L E -bc 12 57A 3 23,-2.9 25,-2.5 -2,-0.6 2,-0.7 -0.949 11.0-166.8-119.5 118.7 -14.1 13.9 -80.7 34 60 A D E +bc 13 58A 19 -22,-2.4 -20,-2.5 -2,-0.5 25,-0.1 -0.876 18.9 160.7-104.5 107.5 -17.2 15.1 -78.9 35 61 A L > + 0 0 0 23,-2.5 3,-0.7 -2,-0.7 5,-0.2 0.003 26.2 149.4-107.2 26.2 -19.4 17.3 -81.2 36 62 A S T 3 + 0 0 0 1,-0.2 -20,-2.5 22,-0.1 25,-0.2 -0.220 56.4 19.7 -64.4 149.4 -22.6 17.0 -79.2 37 63 A F T 3 S+ 0 0 21 23,-2.7 -19,-0.4 1,-0.2 -1,-0.2 0.728 88.0 127.0 68.9 27.6 -25.3 19.7 -79.0 38 64 A N S < S- 0 0 0 -3,-0.7 2,-2.4 22,-0.3 3,-0.4 -0.889 70.6-114.5-109.9 143.5 -24.3 21.6 -82.1 39 65 A P + 0 0 17 0, 0.0 24,-0.1 0, 0.0 23,-0.1 -0.345 60.0 144.0 -73.7 64.1 -26.7 22.5 -84.9 40 66 A L + 0 0 6 -2,-2.4 2,-2.8 22,-0.5 23,-0.2 0.903 19.7 170.2 -66.4 -42.1 -24.9 20.3 -87.5 41 67 A R + 0 0 120 21,-2.6 24,-2.9 -3,-0.4 25,-1.1 0.039 59.4 40.3 66.3 -33.3 -28.3 19.4 -89.0 42 68 A H E -y 66 0B 87 -2,-2.8 2,-0.5 -22,-0.2 25,-0.2 -0.996 60.4-160.5-154.0 132.8 -26.7 17.7 -92.0 43 69 A L E -y 67 0B 0 23,-1.8 25,-3.2 -2,-0.3 28,-0.2 -0.966 19.6-170.8-119.4 111.5 -23.8 15.4 -92.6 44 70 A G > - 0 0 15 -2,-0.5 3,-0.8 1,-0.2 26,-0.0 -0.406 42.5 -53.9 -92.8 175.5 -22.6 15.4 -96.1 45 71 A S T 3 S+ 0 0 62 1,-0.2 26,-0.3 -2,-0.1 -1,-0.2 -0.065 121.9 3.6 -49.0 142.9 -20.0 13.0 -97.7 46 72 A Y T > S+ 0 0 126 24,-3.1 3,-1.2 1,-0.1 -1,-0.2 0.858 75.6 159.9 47.8 46.2 -16.6 12.8 -96.0 47 73 A S T < S+ 0 0 17 24,-1.4 3,-0.2 -3,-0.8 -1,-0.1 0.711 77.9 42.4 -69.3 -17.3 -17.7 15.1 -93.2 48 74 A F T > S+ 0 0 0 23,-0.7 3,-2.8 1,-0.1 -1,-0.3 0.092 70.7 126.0-120.1 21.3 -14.9 13.7 -91.2 49 75 A F T < S+ 0 0 134 -3,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.799 72.3 62.7 -41.2 -36.0 -12.2 13.7 -93.9 50 76 A S T 3 S+ 0 0 22 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.540 96.9 58.1 -73.9 -9.8 -10.1 15.7 -91.4 51 77 A F X + 0 0 1 -3,-2.8 3,-1.8 1,-0.1 -1,-0.2 -0.503 51.2 156.2-124.8 65.4 -10.0 13.0 -88.7 52 78 A P T 3 S+ 0 0 56 0, 0.0 25,-0.4 0, 0.0 -1,-0.1 0.767 78.6 53.6 -61.5 -20.7 -8.4 9.8 -90.2 53 79 A E T 3 S+ 0 0 69 -25,-0.9 -24,-0.1 -3,-0.1 22,-0.1 0.410 79.1 139.2 -96.0 -2.9 -7.4 8.7 -86.7 54 80 A L < + 0 0 0 -3,-1.8 23,-0.2 -6,-0.2 -23,-0.2 -0.156 16.2 160.6 -57.2 132.7 -10.9 9.0 -85.1 55 81 A Q + 0 0 69 -24,-3.2 25,-2.3 1,-0.2 24,-2.1 0.713 68.8 35.3-117.1 -44.3 -12.0 6.3 -82.7 56 82 A V E +cd 32 80A 44 -25,-2.2 -23,-2.9 23,-0.2 2,-0.6 -0.943 62.2 179.3-124.8 109.5 -14.9 7.8 -80.7 57 83 A L E -cd 33 81A 0 23,-2.5 25,-2.5 -2,-0.5 2,-0.6 -0.923 7.8-166.3-112.5 108.4 -17.3 10.3 -82.4 58 84 A D E +cd 34 82A 15 -25,-2.5 -23,-2.5 -2,-0.6 25,-0.1 -0.844 18.5 163.2 -98.1 118.3 -20.1 11.7 -80.3 59 85 A L > + 0 0 0 23,-2.9 3,-0.9 -2,-0.6 5,-0.2 -0.029 18.6 158.3-123.1 28.5 -22.8 13.4 -82.3 60 86 A S T 3 - 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