==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-NOV-11 3UL9 . COMPND 2 MOLECULE: TOLL-LIKE RECEPTOR 4, VARIABLE LYMPHOCYTE RECEPTO . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS, EPTATRETUS BURGERI; . AUTHOR H.J.KIM,H.K.CHEONG,Y.H.JEON . 276 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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-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 . 32 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 4.3 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 0 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 RESIDUES PER ALPHA HELIX . 1 4 9 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 28 A P 0 0 108 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -74.9 -14.0 5.4 -7.7 2 29 A a - 0 0 23 1,-0.1 2,-0.5 11,-0.0 11,-0.2 0.102 360.0-101.9 -74.0-166.9 -12.4 6.8 -4.5 3 30 A V E -A 12 0A 91 9,-1.5 9,-2.0 0, 0.0 2,-0.2 -0.928 26.3-136.9-128.3 106.3 -11.7 10.5 -3.7 4 31 A E E +A 11 0A 105 -2,-0.5 7,-0.2 7,-0.2 9,-0.0 -0.435 31.4 164.6 -63.7 124.7 -8.1 11.7 -4.2 5 32 A V E S+ 0 0 89 5,-2.5 6,-0.2 1,-0.3 -1,-0.2 0.700 74.8 17.8-109.0 -35.9 -7.2 13.9 -1.2 6 33 A V E >> S-A 10 0A 60 4,-2.3 3,-2.7 0, 0.0 4,-2.4 -0.927 92.6-108.8-143.3 112.6 -3.4 13.9 -1.7 7 34 A P T 34 S- 0 0 77 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.106 98.5 -10.9 -44.1 123.5 -1.8 12.9 -5.1 8 35 A N T 34 S+ 0 0 89 1,-0.1 3,-0.1 2,-0.1 17,-0.0 0.730 137.5 63.6 54.5 25.6 -0.1 9.6 -4.9 9 36 A I T <4 S+ 0 0 55 -3,-2.7 21,-2.7 1,-0.3 22,-2.6 0.564 97.9 22.3-138.3 -55.4 -0.5 9.8 -1.1 10 37 A T E < +Ab 6 31A 31 -4,-2.4 -5,-2.5 20,-0.2 -4,-2.3 -0.984 53.3 172.4-133.2 136.9 -4.0 9.8 0.3 11 38 A Y E -Ab 4 32A 16 20,-1.7 22,-1.6 -2,-0.4 2,-0.6 -0.991 24.6-138.1-141.9 148.4 -7.4 8.6 -0.9 12 39 A Q E +Ab 3 33A 61 -9,-2.0 -9,-1.5 -2,-0.3 22,-0.1 -0.916 28.1 162.2-108.6 111.0 -10.9 8.2 0.5 13 40 A a + 0 0 0 20,-2.4 3,-0.3 -2,-0.6 5,-0.2 0.139 28.5 126.8-116.3 21.7 -12.7 5.0 -0.5 14 41 A E + 0 0 53 1,-0.2 22,-0.2 19,-0.2 23,-0.1 -0.363 65.3 21.4 -81.3 161.3 -15.5 4.6 1.9 15 42 A E S S+ 0 0 134 21,-0.8 -1,-0.2 20,-0.8 22,-0.1 0.929 86.2 114.4 52.0 54.5 -19.2 4.1 1.1 16 43 A L S S- 0 0 58 20,-0.4 21,-0.1 -3,-0.3 -1,-0.1 0.345 84.1-113.4-130.1 -1.5 -18.5 2.8 -2.4 17 44 A N + 0 0 139 19,-0.5 2,-0.3 1,-0.2 20,-0.1 0.963 53.9 168.0 64.3 56.3 -19.8 -0.8 -2.0 18 45 A F + 0 0 38 -5,-0.2 -1,-0.2 16,-0.1 3,-0.1 -0.762 27.0 176.6-100.2 145.9 -16.4 -2.5 -2.4 19 46 A Y S S+ 0 0 178 -2,-0.3 22,-0.3 1,-0.2 2,-0.3 0.478 74.0 41.6-119.0 -15.1 -15.8 -6.2 -1.6 20 47 A K S S- 0 0 87 20,-0.1 -1,-0.2 22,-0.0 3,-0.1 -0.910 97.2 -89.0-131.9 158.2 -12.2 -6.2 -2.7 21 48 A I - 0 0 14 -2,-0.3 -2,-0.0 25,-0.2 13,-0.0 -0.475 52.5-108.9 -67.5 130.9 -9.2 -3.9 -2.3 22 49 A P - 0 0 11 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.283 28.2-171.3 -62.7 145.4 -9.1 -1.4 -5.2 23 50 A D S S+ 0 0 119 1,-0.1 2,-1.7 -3,-0.1 -2,-0.0 0.613 70.6 82.2-108.7 -24.1 -6.3 -1.7 -7.8 24 51 A N S S+ 0 0 91 2,-0.0 -1,-0.1 3,-0.0 3,-0.0 -0.225 75.2 101.8 -80.1 50.0 -6.9 1.5 -9.7 25 52 A L S S- 0 0 13 -2,-1.7 4,-0.0 -3,-0.1 -14,-0.0 -0.998 84.5 -89.5-137.2 138.9 -4.9 3.4 -7.1 26 53 A P > - 0 0 39 0, 0.0 3,-2.0 0, 0.0 -2,-0.0 -0.133 30.3-133.0 -46.3 130.0 -1.2 4.7 -7.2 27 54 A F T 3 S+ 0 0 133 1,-0.3 25,-0.3 23,-0.1 -3,-0.0 0.286 103.2 65.9 -72.7 13.2 1.2 2.2 -5.8 28 55 A S T 3 + 0 0 39 23,-0.1 -1,-0.3 22,-0.1 22,-0.1 0.398 69.6 141.2-110.9 -5.1 2.7 4.9 -3.7 29 56 A T < - 0 0 0 -3,-2.0 23,-0.2 1,-0.1 -20,-0.2 -0.053 26.1-179.9 -42.3 135.0 -0.4 5.4 -1.5 30 57 A K + 0 0 47 -21,-2.7 24,-3.6 1,-0.3 25,-2.4 0.666 68.6 36.8-109.9 -31.1 0.5 6.1 2.1 31 58 A N E +bc 10 55A 44 -22,-2.6 -20,-1.7 23,-0.2 2,-0.4 -0.979 62.5 178.0-133.5 122.7 -2.9 6.5 3.5 32 59 A L E -bc 11 56A 4 23,-2.6 25,-2.6 -2,-0.4 2,-0.7 -0.982 13.5-163.1-128.2 127.9 -6.1 4.5 2.6 33 60 A D E +bc 12 57A 35 -22,-1.6 -20,-2.4 -2,-0.4 -19,-0.2 -0.879 22.3 158.8-111.1 99.6 -9.5 4.9 4.1 34 61 A L + 0 0 0 23,-2.7 3,-0.2 -2,-0.7 24,-0.2 0.253 26.2 142.8-103.1 10.4 -11.6 1.8 3.1 35 62 A S + 0 0 2 22,-0.5 -20,-0.8 1,-0.2 25,-0.2 0.028 56.5 28.6 -50.0 157.9 -14.1 2.1 6.0 36 63 A F S S+ 0 0 90 23,-2.3 -21,-0.8 24,-0.4 -19,-0.5 0.888 88.7 124.1 52.6 50.4 -17.8 1.3 5.4 37 64 A N - 0 0 0 23,-0.4 2,-2.7 22,-0.3 3,-0.3 -0.982 68.3-121.8-141.1 124.5 -17.2 -1.3 2.7 38 65 A P + 0 0 23 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.327 50.5 150.7 -64.0 68.6 -18.5 -4.9 2.7 39 66 A L - 0 0 6 -2,-2.7 2,-3.1 22,-1.2 23,-0.2 0.823 23.6-177.0 -71.3 -30.2 -15.0 -6.5 2.3 40 67 A R + 0 0 123 21,-1.6 24,-3.1 -3,-0.3 25,-0.9 -0.174 58.9 24.9 65.9 -52.0 -16.3 -9.5 4.3 41 68 A H E -l 65 0B 92 -2,-3.1 2,-0.5 -22,-0.3 25,-0.2 -0.979 60.9-149.2-143.4 155.7 -13.0 -11.4 4.3 42 69 A L E -l 66 0B 2 23,-1.8 25,-2.9 -2,-0.3 28,-0.1 -0.952 20.8-171.5-129.8 110.1 -9.3 -10.6 4.0 43 70 A G > - 0 0 31 -2,-0.5 3,-1.0 1,-0.2 2,-0.1 -0.022 43.3 -55.7 -84.0-166.8 -7.1 -13.2 2.4 44 71 A S T 3 S+ 0 0 71 1,-0.2 26,-0.3 2,-0.1 -1,-0.2 -0.475 122.2 6.2 -75.0 146.4 -3.3 -13.4 2.2 45 72 A Y T > S+ 0 0 123 24,-3.2 3,-0.6 -2,-0.1 -1,-0.2 0.776 75.6 157.9 51.0 34.5 -1.6 -10.4 0.6 46 73 A S T < S+ 0 0 12 -3,-1.0 2,-0.3 24,-1.0 3,-0.2 0.721 75.3 44.4 -58.9 -19.0 -4.9 -8.5 0.5 47 74 A F T 3 S+ 0 0 0 23,-0.8 -1,-0.3 1,-0.1 27,-0.2 -0.640 72.3 128.2-124.9 70.8 -2.8 -5.3 0.3 48 75 A F < + 0 0 139 -3,-0.6 -1,-0.1 -2,-0.3 -2,-0.1 0.810 67.6 57.9 -94.9 -35.0 -0.0 -6.2 -2.1 49 76 A S S S+ 0 0 25 1,-0.2 -1,-0.2 -4,-0.2 3,-0.1 0.278 98.5 70.0 -79.0 14.0 -0.3 -3.2 -4.4 50 77 A F > + 0 0 0 -3,-0.2 3,-1.3 1,-0.1 -1,-0.2 -0.464 45.8 147.1-131.2 62.0 0.3 -1.0 -1.4 51 78 A P T 3 S+ 0 0 51 0, 0.0 24,-0.2 0, 0.0 25,-0.2 0.581 76.5 57.7 -71.6 -8.9 4.0 -1.4 -0.3 52 79 A E T 3 S+ 0 0 71 -25,-0.3 2,-0.3 -23,-0.2 -24,-0.1 0.154 76.0 135.5-107.5 17.6 4.0 2.3 0.7 53 80 A L < + 0 0 1 -3,-1.3 23,-0.2 1,-0.2 -22,-0.2 -0.497 15.1 158.0 -73.7 130.6 1.0 2.1 3.2 54 81 A Q S S+ 0 0 72 -24,-3.6 25,-2.7 1,-0.3 24,-2.3 0.621 70.4 34.2-118.7 -30.5 1.4 3.8 6.5 55 82 A V E +cd 31 79A 46 -25,-2.4 -23,-2.6 23,-0.2 2,-0.4 -0.979 62.0 178.4-135.8 122.5 -2.2 4.3 7.5 56 83 A L E -cd 32 80A 0 23,-2.5 25,-2.6 -2,-0.4 2,-0.6 -0.972 8.3-166.7-128.2 117.9 -5.0 1.9 6.8 57 84 A D E +cd 33 81A 35 -25,-2.6 -23,-2.7 -2,-0.4 -22,-0.5 -0.910 20.1 158.7-107.3 114.7 -8.6 2.4 8.0 58 85 A L + 0 0 0 23,-3.2 3,-0.4 -2,-0.6 5,-0.2 0.129 21.4 157.4-118.0 14.9 -10.9 -0.6 7.6 59 86 A S - 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