==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 21-JAN-09 3FXI . COMPND 2 MOLECULE: TOLL-LIKE RECEPTOR 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.S.PARK,D.H.SONG,H.M.KIM,J.-O.LEE . 1482 4 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 975 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 232 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 9.2 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 . 4 0.3 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 . 175 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 175 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 3.0 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 1 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 15 4 28 0 4 4 2 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 . 6 2 2 4 2 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 7 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 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 0 144 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 52.7 19.8 26.8 42.4 2 28 A P + 0 0 84 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.608 360.0 110.9 -63.4 -0.2 22.3 25.2 40.2 3 29 A a S S- 0 0 20 11,-0.1 2,-0.5 1,-0.1 11,-0.2 -0.019 76.8-112.2 -63.4 171.6 19.3 22.9 39.5 4 30 A V E -A 13 0A 84 9,-0.8 9,-2.3 0, 0.0 2,-1.1 -0.958 18.4-145.5-113.9 122.7 17.5 22.7 36.2 5 31 A E E +A 12 0A 108 -2,-0.5 7,-0.2 7,-0.2 9,-0.0 -0.760 25.9 169.3 -89.6 96.7 13.9 24.0 36.2 6 32 A V E S+ 0 0 86 5,-1.5 -1,-0.2 -2,-1.1 6,-0.2 0.949 76.5 14.1 -73.9 -51.7 12.1 21.8 33.7 7 33 A V E >> S-A 11 0A 64 4,-1.9 4,-2.6 0, 0.0 3,-2.6 -0.914 95.3-118.1-127.6 102.9 8.5 22.9 34.5 8 34 A P T 34 S+ 0 0 75 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 0.017 94.3 1.3 -41.8 139.8 8.4 26.1 36.6 9 35 A N T 34 S+ 0 0 103 1,-0.2 3,-0.1 2,-0.0 17,-0.0 0.493 137.9 54.6 57.6 4.3 6.8 25.8 40.0 10 36 A I T <4 S+ 0 0 57 -3,-2.6 21,-2.6 1,-0.2 22,-1.7 0.724 100.7 28.6-130.2 -53.1 6.3 22.1 39.2 11 37 A T E < +Ab 7 32A 30 -4,-2.6 -4,-1.9 20,-0.2 -5,-1.5 -0.961 52.5 175.6-129.2 122.9 9.3 19.9 38.1 12 38 A Y E -Ab 5 33A 9 20,-2.1 22,-1.8 -2,-0.4 2,-0.6 -0.970 14.4-161.1-125.7 135.4 13.1 20.2 39.0 13 39 A Q E +Ab 4 34A 74 -9,-2.3 -9,-0.8 -2,-0.4 2,-0.8 -0.857 14.3 170.7-117.1 95.4 16.0 18.0 38.2 14 40 A a + 0 0 0 20,-1.6 3,-0.4 -2,-0.6 2,-0.4 -0.445 24.9 164.2 -98.7 58.2 19.0 18.6 40.5 15 41 A M - 0 0 28 -2,-0.8 22,-0.2 1,-0.2 20,-0.1 -0.645 57.8 -10.7 -86.9 130.5 20.9 15.6 39.2 16 42 A E S S+ 0 0 77 20,-2.8 -1,-0.2 -2,-0.4 22,-0.2 0.947 82.5 132.3 50.5 66.4 24.6 15.1 39.9 17 43 A L S S- 0 0 60 -3,-0.4 21,-0.1 18,-0.1 -1,-0.1 -0.045 79.5-101.3-132.0 27.9 25.5 18.6 41.3 18 44 A N + 0 0 111 19,-0.5 2,-0.5 1,-0.2 20,-0.1 0.815 57.6 172.4 54.5 38.0 27.5 17.5 44.3 19 45 A F + 0 0 29 -5,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.671 17.5 178.0 -79.4 122.9 24.6 18.1 46.8 20 46 A Y S S+ 0 0 123 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.537 75.0 33.0 -97.0 -11.1 25.6 16.8 50.2 21 47 A K S S- 0 0 149 -3,-0.1 -1,-0.2 20,-0.0 19,-0.0 -0.992 100.0 -89.0-145.5 146.0 22.3 18.0 51.6 22 48 A I - 0 0 38 -2,-0.3 -2,-0.1 -3,-0.1 13,-0.0 -0.264 50.4-112.3 -55.4 132.0 18.8 18.3 50.2 23 49 A P - 0 0 8 0, 0.0 27,-0.2 0, 0.0 -1,-0.1 -0.110 31.0-178.8 -62.5 168.2 18.2 21.7 48.5 24 50 A D + 0 0 122 26,-0.0 -2,-0.1 27,-0.0 0, 0.0 0.394 64.1 88.3-141.1 -18.9 15.8 24.2 50.0 25 51 A N S S+ 0 0 64 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.126 73.7 100.8 -74.5 24.3 15.9 27.0 47.5 26 52 A L S S- 0 0 8 1,-0.1 -14,-0.0 -14,-0.0 0, 0.0 -0.869 81.0 -90.9-115.7 147.8 13.2 25.3 45.5 27 53 A P - 0 0 30 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.111 22.0-131.8 -47.1 159.4 9.4 26.1 45.4 28 54 A F S S+ 0 0 150 1,-0.2 25,-0.9 23,-0.1 26,-0.0 0.705 103.0 67.1 -87.0 -23.6 6.8 24.4 47.8 29 55 A S S S+ 0 0 49 23,-0.1 -1,-0.2 22,-0.1 22,-0.1 0.574 72.1 133.9 -72.7 -12.2 4.5 23.5 44.9 30 56 A T + 0 0 0 -3,-0.2 23,-0.2 20,-0.2 -19,-0.2 -0.112 25.7 171.2 -45.7 129.1 7.1 21.1 43.5 31 57 A K + 0 0 74 -21,-2.6 24,-3.0 1,-0.3 25,-2.3 0.638 66.3 43.8-114.1 -26.1 5.6 17.7 42.6 32 58 A N E +bc 11 56A 45 -22,-1.7 -20,-2.1 23,-0.2 2,-0.4 -0.952 63.2 173.2-129.9 114.2 8.6 16.0 40.8 33 59 A L E -bc 12 57A 4 23,-2.4 25,-2.3 -2,-0.4 2,-0.6 -0.978 13.1-166.0-126.4 126.6 12.1 16.1 42.2 34 60 A D E +bc 13 58A 20 -22,-1.8 -20,-1.6 -2,-0.4 25,-0.1 -0.941 16.5 164.5-111.0 113.1 15.1 14.2 40.9 35 61 A L + 0 0 0 23,-2.6 3,-0.5 -2,-0.6 5,-0.1 -0.095 27.2 151.2-118.0 33.0 18.1 14.2 43.3 36 62 A S + 0 0 0 1,-0.2 -20,-2.8 1218,-0.1 25,-0.2 -0.200 55.9 18.6 -66.0 155.4 20.0 11.4 41.6 37 63 A F S S+ 0 0 20 23,-2.4 -19,-0.5 -22,-0.2 -1,-0.2 0.855 90.7 124.4 49.7 47.1 23.8 10.9 41.6 38 64 A N - 0 0 2 -3,-0.5 2,-1.7 22,-0.3 3,-0.3 -0.992 68.9-116.4-131.9 137.8 24.4 13.2 44.6 39 65 A P + 0 0 15 0, 0.0 24,-0.2 0, 0.0 23,-0.1 -0.524 55.8 144.1 -77.3 82.7 26.2 12.1 47.7 40 66 A L + 0 0 14 -2,-1.7 23,-0.2 22,-1.2 24,-0.0 0.957 16.6 167.8 -81.3 -57.5 23.4 12.4 50.3 41 67 A R + 0 0 122 21,-1.7 24,-0.6 -3,-0.3 25,-0.3 0.282 57.2 57.3 64.4 -7.4 24.6 9.4 52.4 42 68 A H - 0 0 96 23,-0.1 2,-0.9 22,-0.1 25,-0.2 -0.838 59.7-168.6-155.5 110.2 22.3 10.0 55.5 43 69 A L B -v 67 0B 0 23,-2.5 25,-2.3 -2,-0.3 2,-0.1 -0.875 24.0-178.5-103.9 100.8 18.6 10.3 55.2 44 70 A G > - 0 0 12 -2,-0.9 3,-1.1 1,-0.2 -2,-0.0 -0.325 36.3 -55.7 -94.6-179.9 17.5 11.6 58.6 45 71 A S T 3 S+ 0 0 71 1,-0.3 26,-0.3 2,-0.1 -1,-0.2 -0.238 120.4 0.1 -58.5 137.8 14.1 12.4 60.1 46 72 A Y T 3 S+ 0 0 136 24,-3.1 -1,-0.3 23,-0.1 25,-0.2 0.863 79.6 157.7 48.6 43.8 11.9 14.9 58.2 47 73 A S < + 0 0 22 -3,-1.1 2,-0.6 24,-0.8 3,-0.3 0.833 66.9 48.3 -63.5 -35.1 14.6 15.2 55.5 48 74 A F + 0 0 0 23,-1.3 26,-0.6 1,-0.2 -1,-0.2 -0.955 62.8 119.6-111.4 119.8 12.0 16.3 53.1 49 75 A F + 0 0 136 -2,-0.6 -1,-0.2 24,-0.1 -2,-0.1 0.306 61.6 76.3-146.7 -25.3 9.7 19.1 54.3 50 76 A S S S+ 0 0 14 -3,-0.3 -20,-0.2 1,-0.3 3,-0.1 0.600 100.3 50.7 -67.4 -10.0 10.5 21.8 51.8 51 77 A F > + 0 0 0 1,-0.1 3,-0.7 -22,-0.1 -1,-0.3 -0.759 58.2 155.5-131.2 83.7 8.3 19.8 49.5 52 78 A P T 3 S+ 0 0 52 0, 0.0 25,-0.5 0, 0.0 24,-0.3 0.705 76.3 54.7 -82.6 -17.4 4.9 18.9 51.1 53 79 A E T 3 S+ 0 0 93 -25,-0.9 2,-0.2 -23,-0.2 22,-0.1 0.059 78.8 140.9-103.7 26.0 3.2 18.5 47.7 54 80 A L < + 0 0 0 -3,-0.7 -23,-0.2 1,-0.1 23,-0.2 -0.456 21.5 168.0 -74.1 138.7 5.6 15.9 46.2 55 81 A Q + 0 0 77 -24,-3.0 24,-2.7 1,-0.3 25,-2.2 0.673 69.1 37.6-116.1 -34.2 4.4 13.0 44.1 56 82 A V E -cd 32 80A 48 -25,-2.3 -23,-2.4 23,-0.2 2,-0.5 -0.969 60.7-179.0-130.2 119.1 7.6 11.6 42.5 57 83 A L E -cd 33 81A 0 23,-2.8 25,-2.6 -2,-0.4 2,-0.7 -0.954 7.5-165.7-122.8 119.8 11.0 11.4 44.2 58 84 A D E +cd 34 82A 20 -25,-2.3 -23,-2.6 -2,-0.5 25,-0.1 -0.858 19.3 161.4-106.5 105.5 14.2 10.0 42.5 59 85 A L > + 0 0 0 23,-2.8 3,-0.7 -2,-0.7 5,-0.2 -0.150 22.4 161.8-112.2 38.2 17.1 9.2 44.9 60 86 A S T 3 - 0 0 0 1,-0.2 -23,-2.4 2,-0.1 -22,-0.3 -0.359 66.2 -6.8 -63.4 132.9 18.9 6.9 42.4 61 87 A R T 3 S+ 0 0 70 23,-3.4 -1,-0.2 -25,-0.2 -23,-0.2 0.913 82.6 143.9 46.7 62.4 22.6 6.3 43.2 62 88 A C < - 0 0 0 -3,-0.7 -21,-1.7 -25,-0.2 -22,-1.2 0.048 66.8-115.8-116.3 23.4 22.9 8.7 46.2 63 89 A E + 0 0 101 22,-0.4 2,-0.3 1,-0.2 23,-0.1 0.678 50.9 175.4 52.3 17.2 25.2 6.7 48.3 64 90 A I + 0 0 0 -5,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.384 9.8 168.8 -59.3 116.3 22.4 6.5 50.8 65 91 A Q + 0 0 101 -24,-0.6 24,-3.6 -2,-0.3 25,-1.7 0.746 61.5 21.5-100.8 -31.8 23.7 4.2 53.6 66 92 A T E - w 0 90B 31 -25,-0.3 -23,-2.5 23,-0.2 2,-0.5 -0.983 55.1-167.3-145.1 130.2 21.1 4.7 56.4 67 93 A I E -vw 43 91B 2 23,-2.1 25,-2.8 -2,-0.3 -23,-0.2 -0.974 21.2-155.8-115.3 127.7 17.5 5.9 56.4 68 94 A E > - 0 0 74 -25,-2.3 3,-0.6 -2,-0.5 2,-0.1 -0.363 35.7 -57.0 -97.7 177.9 16.0 6.7 59.8 69 95 A D T 3 S- 0 0 94 1,-0.2 26,-0.3 -2,-0.1 -1,-0.2 -0.310 117.4 -0.5 -58.3 128.8 12.5 6.8 61.3 70 96 A G T 3 S+ 0 0 6 24,-2.6 -24,-3.1 -25,-0.2 3,-0.2 0.953 72.5 152.9 55.8 61.0 10.2 9.1 59.4 71 97 A A S < S+ 0 0 0 24,-1.0 -23,-1.3 -3,-0.6 -24,-0.8 0.789 85.9 29.9 -85.6 -30.6 12.5 10.4 56.7 72 98 A Y S > S+ 0 0 0 23,-0.8 3,-2.0 25,-0.3 -1,-0.2 -0.056 81.9 134.9-115.2 29.8 9.6 11.1 54.4 73 99 A Q T 3 S+ 0 0 69 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.779 71.3 48.3 -50.1 -34.0 7.1 11.7 57.2 74 100 A S T 3 S+ 0 0 38 -26,-0.6 2,-0.6 -3,-0.2 -1,-0.3 0.106 83.7 97.3 -98.5 24.4 5.6 14.8 55.5 75 101 A L < + 0 0 0 -3,-2.0 3,-0.4 1,-0.2 26,-0.4 -0.569 33.3 150.5-112.6 69.8 5.1 13.3 52.0 76 102 A S S S+ 0 0 48 -2,-0.6 -1,-0.2 -24,-0.3 -23,-0.1 0.715 75.6 47.4 -71.3 -22.5 1.4 12.3 52.0 77 103 A H S S+ 0 0 77 -25,-0.5 -1,-0.2 -3,-0.2 2,-0.1 0.610 80.5 118.0 -95.1 -13.8 1.0 12.9 48.3 78 104 A L + 0 0 0 -3,-0.4 23,-0.5 1,-0.2 -23,-0.2 -0.347 28.6 167.5 -58.7 124.9 4.2 11.0 47.2 79 105 A S + 0 0 28 -24,-2.7 25,-3.2 1,-0.2 24,-2.4 0.593 62.7 47.1-112.0 -21.7 3.2 8.0 45.0 80 106 A T E +de 56 104A 23 -25,-2.2 -23,-2.8 23,-0.2 2,-0.4 -0.986 55.6 175.4-132.1 125.7 6.6 7.1 43.6 81 107 A L E -de 57 105A 0 23,-2.0 25,-2.8 -2,-0.4 2,-0.5 -0.994 9.6-166.6-128.8 122.5 9.9 6.7 45.5 82 108 A I E +de 58 106A 28 -25,-2.6 -23,-2.8 -2,-0.4 25,-0.2 -0.945 19.3 162.9-115.6 119.9 13.0 5.4 43.6 83 109 A L > + 0 0 2 23,-3.3 3,-0.8 -2,-0.5 -21,-0.1 0.021 21.0 164.1-122.1 26.0 16.1 4.3 45.7 84 110 A T T 3 + 0 0 1 1,-0.2 -23,-3.4 22,-0.1 25,-0.2 -0.156 62.5 6.9 -50.3 131.2 17.9 2.4 42.9 85 111 A G T 3 S+ 0 0 6 23,-2.7 -22,-0.4 24,-0.3 -1,-0.2 0.799 83.4 144.6 68.2 36.2 21.5 1.6 43.6 86 112 A N < - 0 0 2 -3,-0.8 2,-2.0 23,-0.4 -1,-0.2 -0.899 51.6-130.8-109.3 132.6 22.0 2.7 47.2 87 113 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 24,-0.1 -0.511 34.7-169.2 -77.9 76.6 24.3 0.8 49.6 88 114 A I + 0 0 20 -2,-2.0 -22,-0.2 22,-0.2 -23,-0.2 -0.543 24.2 160.6 -76.7 129.9 21.8 0.5 52.4 89 115 A Q + 0 0 141 -24,-3.6 2,-0.4 -2,-0.3 -23,-0.2 0.691 69.8 31.5-111.7 -41.9 23.2 -0.7 55.8 90 116 A S E -w 66 0B 68 -25,-1.7 -23,-2.1 2,-0.0 2,-0.5 -0.978 58.8-177.7-129.9 123.3 20.6 0.5 58.2 91 117 A L E -w 67 0B 47 -2,-0.4 -23,-0.2 -25,-0.2 4,-0.1 -0.923 29.3-128.0-121.3 102.5 16.8 0.8 57.4 92 118 A A > - 0 0 15 -25,-2.8 3,-2.2 -2,-0.5 4,-0.3 -0.154 20.5-115.0 -52.5 138.7 14.8 2.1 60.4 93 119 A L T 3 S+ 0 0 159 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.724 117.1 30.6 -45.9 -27.8 11.7 0.1 61.5 94 120 A G T > S+ 0 0 14 1,-0.1 -24,-2.6 3,-0.1 3,-1.0 -0.223 77.0 127.7-130.3 47.0 9.6 3.1 60.4 95 121 A A T < S+ 0 0 0 -3,-2.2 -24,-1.0 -26,-0.3 -23,-0.8 0.866 77.2 47.5 -69.9 -36.1 11.6 4.6 57.5 96 122 A F T > S+ 0 0 0 23,-0.5 3,-0.9 -4,-0.3 2,-0.3 0.098 80.2 130.6 -95.9 24.7 8.6 4.6 55.1 97 123 A S T < + 0 0 31 -3,-1.0 -25,-0.3 1,-0.2 -3,-0.1 -0.620 62.9 35.5 -80.3 133.7 6.1 6.1 57.5 98 124 A G T 3 S+ 0 0 21 -2,-0.3 2,-2.0 -24,-0.1 -1,-0.2 0.062 78.5 111.9 114.1 -23.0 4.1 9.0 56.1 99 125 A L X + 0 0 1 -3,-0.9 3,-1.1 1,-0.2 -23,-0.2 -0.505 31.6 158.1 -83.4 69.5 3.8 7.8 52.5 100 126 A S T 3 S+ 0 0 64 -2,-2.0 -1,-0.2 1,-0.2 -24,-0.1 0.461 74.7 42.3 -73.4 -2.2 0.1 7.2 52.7 101 127 A S T 3 S+ 0 0 41 -23,-0.5 2,-0.3 -26,-0.4 -1,-0.2 0.246 76.6 138.9-127.4 9.5 -0.2 7.4 49.0 102 128 A L < + 0 0 0 -3,-1.1 -23,-0.2 1,-0.2 -22,-0.2 -0.433 12.4 161.2 -65.5 122.3 2.8 5.4 47.8 103 129 A Q + 0 0 91 -24,-2.4 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