==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 22-JUL-07 2Z64 . COMPND 2 MOLECULE: TOLL-LIKE RECEPTOR 4; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.-O.LEE,H.M.KIM,B.S.PARK . 734 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 135 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 97 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 4.1 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+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 1 1 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 5 19 1 2 1 0 1 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 1 2 2 0 1 1 0 2 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 . 6 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 P 0 0 114 0, 0.0 17,-0.0 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 -90.1 -28.0 21.1 25.4 2 28 A a - 0 0 29 1,-0.0 2,-0.4 11,-0.0 11,-0.2 0.171 360.0 -78.4-103.4-150.7 -26.7 18.6 22.8 3 29 A I E -A 12 0A 104 9,-1.0 9,-2.0 3,-0.0 2,-1.2 -0.990 32.4-141.7-125.4 120.7 -23.4 16.9 21.7 4 30 A E E +A 11 0A 114 -2,-0.4 7,-0.2 7,-0.2 9,-0.0 -0.677 30.7 164.6 -84.6 93.9 -21.0 19.0 19.7 5 31 A V E S+ 0 0 74 -2,-1.2 -1,-0.2 5,-0.9 6,-0.2 0.883 79.7 13.3 -81.0 -39.2 -19.6 16.4 17.2 6 32 A V E >> S-A 10 0A 56 4,-2.0 4,-2.4 -3,-0.2 3,-2.4 -0.929 95.8-114.5-135.1 112.8 -18.2 19.1 14.9 7 33 A P T 34 S- 0 0 78 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.109 94.8 -7.2 -47.0 135.5 -18.0 22.7 16.4 8 34 A N T 34 S+ 0 0 92 1,-0.2 3,-0.1 21,-0.1 -4,-0.0 0.622 136.5 62.2 49.3 18.1 -20.3 25.2 14.6 9 35 A I T <4 S+ 0 0 77 -3,-2.4 21,-2.6 1,-0.3 22,-2.1 0.617 100.9 19.2-132.4 -57.4 -21.0 22.4 12.0 10 36 A T E < -Ab 6 31A 28 -4,-2.4 -4,-2.0 19,-0.2 -5,-0.9 -0.984 57.9-175.0-133.0 135.6 -22.7 19.2 13.2 11 37 A Y E -Ab 4 32A 18 20,-2.6 22,-1.4 -2,-0.4 2,-0.5 -0.918 16.0-150.0-130.5 155.2 -24.7 18.5 16.4 12 38 A Q E +Ab 3 33A 35 -9,-2.0 -9,-1.0 -2,-0.3 22,-0.1 -0.920 27.8 154.7-127.7 105.0 -26.3 15.4 18.0 13 39 A a + 0 0 0 20,-2.7 3,-0.5 -2,-0.5 5,-0.3 0.021 26.4 148.1-114.4 22.7 -29.4 16.0 20.1 14 40 A M S S- 0 0 27 1,-0.2 22,-0.2 2,-0.1 21,-0.1 -0.372 71.3 -1.9 -61.0 137.0 -30.7 12.5 19.6 15 41 A D S S+ 0 0 72 20,-2.2 -1,-0.2 19,-0.1 22,-0.1 0.922 82.6 136.0 44.1 72.9 -32.7 11.4 22.6 16 42 A Q S S- 0 0 78 -3,-0.5 -1,-0.1 20,-0.1 3,-0.1 0.191 73.5-112.5-126.1 13.9 -32.4 14.3 24.9 17 43 A K + 0 0 182 19,-0.4 20,-0.1 1,-0.2 2,-0.1 0.654 62.7 162.5 58.8 16.1 -36.0 14.6 26.2 18 44 A L - 0 0 36 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.382 28.1-172.1 -66.1 143.6 -36.1 17.9 24.2 19 45 A S S S+ 0 0 79 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.607 72.9 26.2-113.0 -23.8 -39.6 19.2 23.5 20 46 A K S S- 0 0 164 22,-0.1 -1,-0.2 26,-0.0 3,-0.1 -0.854 99.2 -85.3-126.5 167.3 -38.6 22.0 21.2 21 47 A V - 0 0 28 -2,-0.3 -2,-0.0 1,-0.1 13,-0.0 -0.539 57.8 -97.6 -66.6 137.3 -35.6 22.5 19.0 22 48 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.162 26.9-150.2 -52.3 156.1 -32.7 24.1 20.9 23 49 A D S S+ 0 0 152 1,-0.1 -2,-0.0 -3,-0.1 0, 0.0 0.586 85.1 56.1-110.7 -17.6 -32.2 27.8 20.6 24 50 A D S S+ 0 0 105 2,-0.0 -1,-0.1 3,-0.0 3,-0.1 0.021 71.5 121.2-110.9 26.8 -28.5 28.3 21.0 25 51 A I S S- 0 0 12 -3,-0.1 -14,-0.0 1,-0.1 0, 0.0 -0.793 73.0-100.2 -84.4 127.8 -27.3 26.0 18.2 26 52 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.127 14.0-132.0 -42.4 158.8 -25.2 28.0 15.7 27 53 A S S S+ 0 0 58 1,-0.2 25,-0.5 23,-0.1 24,-0.2 0.421 105.4 64.4 -92.4 -2.4 -26.6 29.2 12.4 28 54 A S S S+ 0 0 42 23,-0.1 -1,-0.2 22,-0.1 22,-0.0 0.693 73.3 118.9 -91.1 -21.1 -23.6 27.8 10.6 29 55 A T - 0 0 0 1,-0.1 23,-0.3 24,-0.1 -20,-0.2 -0.145 41.5-172.5 -49.8 132.5 -24.4 24.2 11.5 30 56 A K + 0 0 88 -21,-2.6 24,-3.2 1,-0.2 25,-1.4 0.681 67.9 42.0-101.4 -23.9 -24.9 22.1 8.5 31 57 A N E +bc 10 55A 41 -22,-2.1 -20,-2.6 22,-0.2 2,-0.5 -0.957 59.7 178.5-135.7 120.2 -26.2 18.8 10.1 32 58 A I E -bc 11 56A 0 23,-2.1 25,-2.5 -2,-0.4 2,-0.6 -0.967 11.0-162.5-126.6 127.1 -28.6 18.4 13.0 33 59 A D E +bc 12 57A 8 -22,-1.4 -20,-2.7 -2,-0.5 25,-0.1 -0.919 23.1 156.0-108.2 111.4 -29.9 15.2 14.5 34 60 A L + 0 0 0 23,-3.2 3,-0.3 -2,-0.6 24,-0.2 0.182 25.3 144.5-118.2 16.9 -33.0 15.5 16.6 35 61 A S + 0 0 0 22,-0.2 -20,-2.2 1,-0.2 25,-0.2 -0.097 58.5 28.7 -53.1 151.4 -34.3 11.9 16.4 36 62 A F S S+ 0 0 33 23,-2.6 -19,-0.4 24,-1.1 25,-0.2 0.853 89.6 125.8 66.2 42.0 -36.1 10.2 19.3 37 63 A N S S- 0 0 0 23,-0.4 2,-2.4 -3,-0.3 3,-0.3 -0.992 70.5-112.1-132.5 138.9 -37.5 13.4 20.9 38 64 A P + 0 0 30 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.402 58.0 144.8 -69.9 81.5 -41.1 14.4 21.9 39 65 A L + 0 0 10 22,-2.5 2,-2.9 -2,-2.4 23,-0.2 0.788 18.0 169.8 -88.4 -33.0 -41.5 17.1 19.2 40 66 A K + 0 0 99 21,-1.6 24,-3.6 -3,-0.3 25,-1.2 -0.226 65.4 33.9 64.6 -71.4 -45.1 16.3 18.7 41 67 A I E S-y 65 0B 78 -2,-2.9 2,-1.3 22,-0.2 25,-0.2 -0.982 74.1-142.7-119.6 125.3 -45.9 19.3 16.6 42 68 A L E -y 66 0B 3 23,-1.5 25,-1.5 -2,-0.5 3,-0.1 -0.735 36.2-143.6 -81.1 91.6 -43.3 20.7 14.2 43 69 A K > - 0 0 99 -2,-1.3 3,-0.8 -4,-0.2 2,-0.3 0.065 19.1 -88.2 -58.7 166.9 -44.2 24.4 14.8 44 70 A S T 3 S+ 0 0 27 1,-0.2 26,-0.2 2,-0.1 25,-0.1 -0.612 109.1 9.6 -81.1 137.0 -44.1 27.1 12.2 45 71 A Y T > S+ 0 0 98 24,-1.4 3,-0.6 -2,-0.3 -1,-0.2 0.796 84.1 140.0 58.9 35.4 -40.8 29.0 11.6 46 72 A S T < S+ 0 0 34 -3,-0.8 3,-0.4 24,-0.5 -2,-0.1 0.956 75.5 32.2 -64.8 -55.7 -38.9 26.4 13.8 47 73 A F T 3 S+ 0 0 0 23,-0.8 3,-0.4 1,-0.2 -1,-0.2 -0.146 81.2 128.2-101.7 36.6 -35.8 26.2 11.7 48 74 A S S < S+ 0 0 44 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.892 72.4 46.2 -55.9 -46.3 -35.9 29.8 10.5 49 75 A N S S+ 0 0 114 -3,-0.4 2,-1.9 -4,-0.2 -1,-0.2 0.685 88.4 89.9 -75.7 -22.7 -32.3 30.6 11.5 50 76 A F > + 0 0 12 -3,-0.4 3,-1.0 1,-0.2 -1,-0.2 -0.464 43.1 155.6 -83.1 72.0 -30.7 27.5 10.0 51 77 A S T 3 S+ 0 0 46 -2,-1.9 -1,-0.2 1,-0.2 25,-0.1 0.505 73.3 43.8 -79.6 -5.1 -29.9 28.8 6.5 52 78 A E T 3 S+ 0 0 85 -25,-0.5 2,-0.3 -23,-0.3 -1,-0.2 0.229 78.2 128.1-118.7 10.0 -27.1 26.3 5.9 53 79 A L < + 0 0 0 -3,-1.0 -22,-0.2 1,-0.2 -23,-0.2 -0.549 24.1 168.0 -71.1 126.3 -28.7 23.2 7.3 54 80 A Q + 0 0 76 -24,-3.2 25,-2.5 -2,-0.3 24,-2.3 0.618 64.3 36.3-111.7 -19.4 -28.4 20.4 4.7 55 81 A W E -cd 31 79A 69 -25,-1.4 -23,-2.1 23,-0.2 2,-0.5 -0.982 61.1-179.5-142.2 120.2 -29.4 17.3 6.6 56 82 A L E -cd 32 80A 0 23,-2.1 25,-2.0 -2,-0.4 2,-0.6 -0.975 11.9-157.1-126.0 115.6 -32.1 17.2 9.4 57 83 A D E +cd 33 81A 6 -25,-2.5 -23,-3.2 -2,-0.5 -22,-0.2 -0.855 25.7 157.9 -95.5 116.6 -32.8 13.9 11.3 58 84 A L + 0 0 0 23,-1.8 3,-0.4 -2,-0.6 5,-0.2 -0.139 19.7 161.4-121.7 32.3 -36.3 13.8 12.9 59 85 A S S S- 0 0 2 1,-0.2 -23,-2.6 2,-0.1 -22,-0.2 -0.380 70.6 -8.3 -60.2 126.5 -36.5 10.0 13.1 60 86 A R S S+ 0 0 51 23,-3.6 -24,-1.1 -25,-0.2 -23,-0.4 0.965 80.2 147.3 47.0 77.9 -39.2 9.0 15.6 61 87 A C - 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