==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 17-MAR-12 3VQ1 . COMPND 2 MOLECULE: TOLL-LIKE RECEPTOR 4; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR U.OHTO,T.SHIMIZU . 1462 6 14 12 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1014 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 262 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 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 . 7 0.5 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 . 1 0.1 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 . 184 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 194 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 3.4 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+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 1 0 0 1 3 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 . 4 13 36 2 4 2 1 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 . 2 2 2 2 2 4 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 4 0 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 P 0 0 128 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.0 -4.4 35.8 52.6 2 28 A a - 0 0 35 1,-0.1 11,-0.2 14,-0.0 2,-0.1 -0.692 360.0-115.2 -99.1 139.5 -1.7 33.7 51.0 3 29 A I E -A 12 0A 108 9,-1.5 9,-2.4 -2,-0.3 2,-0.6 -0.358 26.0-141.3 -62.6 142.8 -1.9 30.5 48.9 4 30 A E E +A 11 0A 103 7,-0.2 7,-0.2 1,-0.2 -1,-0.1 -0.853 30.3 164.6-118.5 96.0 -0.3 27.4 50.6 5 31 A V E S+ 0 0 81 5,-0.7 6,-0.2 -2,-0.6 -1,-0.2 0.910 84.7 12.8 -79.7 -43.8 1.6 25.2 48.2 6 32 A V E >> S-A 10 0A 61 4,-2.0 4,-2.8 0, 0.0 3,-2.3 -0.893 91.0-124.4-131.8 104.4 3.5 23.3 50.9 7 33 A P T 34 S+ 0 0 74 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.143 93.4 3.7 -40.8 131.9 2.1 23.9 54.5 8 34 A N T 34 S+ 0 0 102 1,-0.2 3,-0.1 2,-0.0 -4,-0.0 0.352 137.0 49.5 68.8 -3.2 4.8 25.2 56.9 9 35 A I T <4 S+ 0 0 77 -3,-2.3 21,-2.9 1,-0.3 22,-2.0 0.690 106.3 30.9-131.5 -52.0 7.4 25.3 54.0 10 36 A T E < +Ab 6 31A 30 -4,-2.8 -4,-2.0 20,-0.2 -5,-0.7 -0.975 57.3 177.5-125.9 124.8 6.3 27.1 50.8 11 37 A Y E -Ab 4 32A 14 20,-1.8 22,-1.7 -2,-0.5 2,-0.6 -0.971 15.4-152.5-126.2 140.7 3.9 30.0 50.6 12 38 A Q E +Ab 3 33A 37 -9,-2.4 -9,-1.5 -2,-0.4 22,-0.1 -0.940 21.8 164.2-119.6 112.5 2.8 31.9 47.5 13 39 A a > + 0 0 0 20,-3.0 3,-0.8 -2,-0.6 5,-0.2 0.043 23.7 148.0-116.8 23.9 1.8 35.5 48.0 14 40 A M T 3 + 0 0 31 1,-0.2 22,-0.2 19,-0.1 -11,-0.1 -0.235 66.5 2.3 -59.1 145.4 1.9 36.8 44.4 15 41 A D T 3 S+ 0 0 74 20,-1.2 -1,-0.2 1,-0.1 2,-0.2 0.768 85.7 133.3 42.5 43.4 -0.5 39.5 43.2 16 42 A Q S < S- 0 0 51 -3,-0.8 -1,-0.1 19,-0.3 -3,-0.0 -0.468 72.7-107.5 -88.3-178.7 -2.3 40.1 46.5 17 43 A K + 0 0 197 -2,-0.2 20,-0.1 20,-0.1 -3,-0.1 -0.123 62.9 162.8-103.4 41.7 -2.7 43.8 47.2 18 44 A L - 0 0 26 -5,-0.2 3,-0.1 1,-0.1 -3,-0.0 -0.179 34.3-171.7 -68.0 147.7 -0.1 43.6 50.0 19 45 A S S S- 0 0 87 1,-0.3 22,-0.3 18,-0.1 2,-0.3 0.635 74.8 -4.5-107.7 -28.4 1.8 46.6 51.5 20 46 A K S S- 0 0 115 20,-0.1 -1,-0.3 22,-0.1 22,-0.1 -0.913 94.6 -64.2-150.5 177.9 4.3 44.5 53.6 21 47 A V - 0 0 25 -2,-0.3 2,-0.3 -3,-0.1 13,-0.0 -0.597 56.7-123.2 -68.0 120.5 5.1 41.0 54.6 22 48 A P > - 0 0 20 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.528 9.7-146.7 -69.7 132.0 2.1 39.6 56.6 23 49 A D T 3 S+ 0 0 135 1,-0.3 4,-0.1 -2,-0.3 -2,-0.0 0.672 89.7 77.9 -73.2 -19.8 3.2 38.4 60.1 24 50 A D T 3 + 0 0 123 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.254 68.5 107.0 -76.6 12.7 0.6 35.6 60.1 25 51 A I S < S- 0 0 9 -3,-0.9 4,-0.1 1,-0.1 -14,-0.0 -0.868 89.7 -98.4 -90.0 118.5 2.9 33.6 57.8 26 52 A P > - 0 0 41 0, 0.0 2,-2.6 0, 0.0 3,-1.5 -0.046 23.7-130.6 -37.5 122.7 4.4 30.8 59.8 27 53 A S T 3 S+ 0 0 76 1,-0.2 24,-0.2 -4,-0.1 -4,-0.0 -0.377 99.4 70.1 -74.6 60.2 7.9 31.7 61.0 28 54 A S T 3 + 0 0 33 -2,-2.6 -1,-0.2 22,-0.1 22,-0.0 0.346 66.4 124.7-153.5 -11.4 9.1 28.3 59.7 29 55 A T < - 0 0 1 -3,-1.5 23,-0.2 1,-0.1 -20,-0.2 -0.159 39.9-165.1 -67.2 155.0 8.9 28.7 55.9 30 56 A K S S+ 0 0 85 -21,-2.9 24,-3.5 1,-0.3 25,-1.6 0.620 75.6 29.5-111.6 -24.9 11.8 28.0 53.5 31 57 A N E +bc 10 55A 41 -22,-2.0 -20,-1.8 23,-0.2 2,-0.3 -1.000 61.4 173.5-140.5 137.2 10.5 29.7 50.3 32 58 A I E -bc 11 56A 3 23,-2.6 25,-1.9 -2,-0.4 2,-0.6 -0.984 18.8-153.5-145.5 135.2 8.1 32.6 49.7 33 59 A D E +bc 12 57A 2 -22,-1.7 -20,-3.0 -2,-0.3 25,-0.1 -0.933 21.8 163.7-108.0 111.0 7.0 34.5 46.6 34 60 A L + 0 0 0 23,-2.2 3,-0.3 -2,-0.6 24,-0.2 0.156 28.7 142.2-107.5 15.6 5.9 38.0 47.4 35 61 A S + 0 0 0 22,-0.5 -20,-1.2 1,-0.2 -19,-0.3 0.025 54.4 29.2 -57.3 163.5 6.0 39.3 43.8 36 62 A F S S+ 0 0 24 23,-2.2 25,-0.2 -22,-0.2 -1,-0.2 0.826 88.3 126.5 52.2 42.3 3.5 41.8 42.2 37 63 A N S S- 0 0 0 -3,-0.3 2,-2.7 22,-0.3 3,-0.4 -0.979 72.1-115.3-123.7 138.9 2.8 43.6 45.5 38 64 A P + 0 0 50 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.409 58.7 146.7 -68.8 71.7 2.9 47.3 46.3 39 65 A L + 0 0 8 -2,-2.7 2,-3.2 22,-1.1 23,-0.2 0.849 18.5 171.1 -76.5 -38.8 5.8 46.8 48.8 40 66 A K + 0 0 106 21,-2.2 24,-2.8 -3,-0.4 25,-0.9 -0.182 59.3 34.6 68.4 -54.4 7.3 50.1 47.9 41 67 A I E S-y 65 0B 81 -2,-3.2 2,-1.1 -22,-0.3 25,-0.2 -0.989 71.2-137.0-132.4 141.4 10.0 50.2 50.8 42 68 A L E -y 66 0B 4 23,-3.0 25,-1.4 -2,-0.4 3,-0.1 -0.655 33.6-150.6 -97.7 76.6 11.9 47.4 52.3 43 69 A K > - 0 0 97 -2,-1.1 3,-1.7 1,-0.1 -2,-0.0 -0.050 28.2 -88.7 -47.3 142.0 11.5 48.5 56.0 44 70 A S T 3 S+ 0 0 25 1,-0.2 26,-0.3 2,-0.1 25,-0.2 -0.268 110.3 9.5 -57.8 137.4 14.4 47.5 58.3 45 71 A Y T > S+ 0 0 115 24,-2.0 3,-3.0 23,-0.2 4,-0.4 0.356 81.8 140.1 74.5 -3.3 13.9 44.0 60.0 46 72 A S T < S+ 0 0 33 -3,-1.7 3,-0.3 1,-0.3 -2,-0.1 0.795 81.0 30.1 -35.4 -45.8 10.9 43.2 57.7 47 73 A F T 3 S+ 0 0 1 23,-0.9 -1,-0.3 1,-0.2 3,-0.1 0.244 83.6 113.3-105.8 9.7 12.1 39.6 57.4 48 74 A S S < S+ 0 0 45 -3,-3.0 -1,-0.2 1,-0.2 -2,-0.1 0.779 75.1 58.4 -55.3 -30.0 13.8 39.2 60.7 49 75 A N S S+ 0 0 110 -4,-0.4 2,-1.4 -3,-0.3 -1,-0.2 0.983 92.3 64.7 -61.5 -63.0 11.2 36.6 61.8 50 76 A F + 0 0 8 1,-0.2 3,-0.5 -3,-0.1 -1,-0.2 -0.485 58.7 161.9 -72.3 90.5 11.6 34.0 59.0 51 77 A S + 0 0 46 -2,-1.4 25,-1.0 1,-0.2 24,-0.3 0.703 67.1 57.0 -84.3 -22.3 15.2 32.8 59.8 52 78 A E S S+ 0 0 62 -23,-0.2 -1,-0.2 23,-0.1 -2,-0.1 0.354 76.7 132.9 -94.5 4.6 15.0 29.5 57.8 53 79 A L + 0 0 0 -3,-0.5 23,-0.2 1,-0.1 -22,-0.2 -0.241 23.7 168.3 -59.2 141.6 14.1 31.2 54.5 54 80 A Q + 0 0 85 -24,-3.5 25,-2.2 1,-0.3 24,-2.1 0.584 64.8 38.7-125.8 -27.0 16.1 30.1 51.5 55 81 A W E +cd 31 79A 81 -25,-1.6 -23,-2.6 23,-0.2 2,-0.4 -0.963 59.0 175.2-141.1 112.6 14.2 31.6 48.5 56 82 A L E -cd 32 80A 0 23,-2.2 25,-2.2 -2,-0.4 2,-0.6 -0.979 9.8-165.4-126.8 123.6 12.6 35.0 48.4 57 83 A D E +cd 33 81A 7 -25,-1.9 -23,-2.2 -2,-0.4 -22,-0.5 -0.898 19.9 160.5-116.1 107.0 10.9 36.5 45.3 58 84 A L > + 0 0 0 23,-2.4 3,-0.6 -2,-0.6 5,-0.2 -0.132 21.1 156.7-115.8 33.8 10.2 40.2 45.3 59 85 A S T 3 + 0 0 0 1,-0.2 -23,-2.2 2,-0.1 -22,-0.3 -0.308 67.8 4.0 -59.2 142.3 9.8 40.8 41.6 60 86 A R T 3 S+ 0 0 65 23,-2.2 -1,-0.2 -25,-0.2 -23,-0.2 0.894 82.0 137.2 47.5 55.4 7.8 43.8 40.5 61 87 A C < - 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