==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-NOV-11 3UL7 . 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) . 13006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 64.1 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 . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 4.7 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 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 0 132 0, 0.0 2,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 142.0 -9.9 -5.2 8.5 2 29 A a - 0 0 17 1,-0.1 2,-0.5 20,-0.0 11,-0.2 -0.338 360.0 -60.8-103.8-171.6 -10.9 -6.5 5.1 3 30 A V E -A 12 0A 99 9,-2.2 9,-2.8 -2,-0.1 2,-0.8 -0.649 52.5-134.3 -78.8 122.4 -11.1 -10.2 4.0 4 31 A E E +A 11 0A 107 -2,-0.5 7,-0.2 7,-0.2 -1,-0.1 -0.701 32.1 169.6 -81.3 111.6 -7.6 -11.7 4.3 5 32 A V E S+ 0 0 84 5,-1.9 6,-0.2 -2,-0.8 -1,-0.2 0.855 76.8 7.1 -85.9 -42.3 -7.0 -13.6 1.1 6 33 A V E >> S-A 10 0A 61 4,-2.2 4,-2.4 0, 0.0 3,-2.4 -0.956 93.4-102.1-144.9 121.0 -3.3 -14.2 1.8 7 34 A P T 34 S- 0 0 75 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.175 99.5 -12.9 -47.6 118.5 -1.6 -13.3 5.1 8 35 A N T 34 S+ 0 0 88 1,-0.1 3,-0.1 2,-0.1 17,-0.0 0.621 136.6 63.6 62.5 15.9 0.4 -10.0 4.8 9 36 A I T <4 S+ 0 0 61 -3,-2.4 22,-2.6 1,-0.3 21,-2.6 0.644 99.1 25.6-131.1 -51.9 0.1 -10.3 1.1 10 37 A T E < +Ab 6 31A 27 -4,-2.4 -4,-2.2 20,-0.2 -5,-1.9 -0.979 55.6 174.7-131.3 128.1 -3.4 -10.0 -0.3 11 38 A Y E -Ab 4 32A 9 20,-2.1 22,-1.8 -2,-0.4 2,-0.8 -0.986 21.9-145.1-132.4 140.5 -6.5 -8.3 1.1 12 39 A Q E +Ab 3 33A 53 -9,-2.8 -9,-2.2 -2,-0.4 22,-0.1 -0.865 27.0 161.9-106.9 103.1 -10.0 -7.8 -0.3 13 40 A a + 0 0 0 20,-2.3 3,-0.3 -2,-0.8 5,-0.3 0.084 21.7 145.2-106.6 23.8 -11.5 -4.5 0.9 14 41 A M - 0 0 70 1,-0.2 22,-0.2 2,-0.1 21,-0.1 -0.338 67.7 -0.0 -66.2 143.8 -14.2 -4.1 -1.7 15 42 A E S S+ 0 0 133 20,-2.0 -1,-0.2 19,-0.1 22,-0.2 0.924 78.9 129.0 42.3 77.6 -17.5 -2.5 -0.6 16 43 A L S S- 0 0 81 -3,-0.3 -1,-0.1 20,-0.2 21,-0.1 0.081 81.5-106.9-136.9 13.5 -16.9 -1.7 3.1 17 44 A N + 0 0 131 19,-0.5 2,-0.1 1,-0.2 20,-0.1 0.749 59.7 169.3 62.2 29.4 -18.0 1.9 2.8 18 45 A F + 0 0 48 -5,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.455 22.7 176.9 -70.5 141.1 -14.4 3.2 3.0 19 46 A Y S S+ 0 0 179 -2,-0.1 22,-0.3 1,-0.1 2,-0.3 0.482 73.2 37.8-116.9 -14.5 -13.9 6.9 2.2 20 47 A K S S- 0 0 90 22,-0.0 -1,-0.1 0, 0.0 22,-0.0 -0.860 99.8 -87.0-131.5 163.5 -10.2 6.7 3.1 21 48 A I - 0 0 12 -2,-0.3 -2,-0.0 25,-0.1 13,-0.0 -0.583 52.8-106.9 -75.5 130.9 -7.4 4.2 2.6 22 49 A P - 0 0 7 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.308 27.3-167.7 -59.5 136.4 -7.3 1.7 5.5 23 50 A D S S+ 0 0 129 1,-0.2 2,-0.3 -3,-0.0 -2,-0.0 0.430 73.1 78.4-104.7 -3.5 -4.3 2.1 7.8 24 51 A N S S+ 0 0 80 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.292 73.7 101.2-100.8 47.4 -4.7 -1.2 9.7 25 52 A L S S- 0 0 12 -2,-0.3 -14,-0.0 -3,-0.2 4,-0.0 -0.958 82.3 -84.5-130.7 149.3 -3.2 -3.4 7.1 26 53 A P > - 0 0 34 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.195 27.9-136.1 -52.3 135.9 0.3 -5.0 6.7 27 54 A F T 3 S+ 0 0 134 1,-0.3 25,-0.7 23,-0.1 26,-0.1 0.474 103.4 63.2 -72.0 -1.0 2.9 -2.7 5.2 28 55 A S T 3 S+ 0 0 50 23,-0.1 -1,-0.3 24,-0.1 22,-0.1 0.417 72.4 136.4-101.9 -2.4 4.1 -5.7 3.1 29 56 A T < + 0 0 0 -3,-1.6 -20,-0.2 1,-0.1 -19,-0.2 -0.163 27.1 177.8 -49.7 133.8 0.7 -6.0 1.2 30 57 A K + 0 0 55 -21,-2.6 24,-2.9 1,-0.3 25,-2.2 0.732 66.2 45.4-107.5 -36.6 1.2 -6.7 -2.5 31 58 A N E +bc 10 55A 47 -22,-2.6 -20,-2.1 23,-0.2 2,-0.4 -0.955 61.9 174.7-119.3 122.5 -2.4 -7.0 -3.7 32 59 A L E -bc 11 56A 4 23,-2.3 25,-2.4 -2,-0.5 2,-0.7 -0.976 13.9-167.4-132.9 122.0 -5.2 -4.6 -2.6 33 60 A D E +bc 12 57A 33 -22,-1.8 -20,-2.3 -2,-0.4 25,-0.1 -0.915 20.5 158.1-107.9 106.8 -8.8 -4.6 -3.9 34 61 A L + 0 0 0 23,-2.7 3,-0.3 -2,-0.7 24,-0.1 0.097 23.8 145.1-113.8 19.5 -10.6 -1.4 -2.8 35 62 A S + 0 0 3 1,-0.2 -20,-2.0 22,-0.2 25,-0.2 -0.148 57.8 28.1 -59.1 152.7 -13.3 -1.4 -5.4 36 63 A W S S+ 0 0 134 23,-1.8 -19,-0.5 -22,-0.2 -20,-0.2 0.893 85.2 128.6 62.9 45.5 -16.8 -0.1 -4.6 37 64 A N - 0 0 1 -3,-0.3 2,-3.9 22,-0.2 3,-0.3 -0.992 68.1-119.0-132.2 124.9 -15.7 2.4 -1.9 38 65 A P + 0 0 23 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.211 56.4 147.9 -59.8 65.2 -16.8 6.0 -1.8 39 66 A L + 0 0 8 -2,-3.9 2,-4.3 22,-0.7 23,-0.2 0.783 19.9 174.7 -72.2 -26.9 -13.2 7.3 -2.1 40 67 A R + 0 0 108 21,-1.6 24,-3.1 -3,-0.3 25,-1.0 -0.075 59.1 23.8 53.8 -48.6 -14.4 10.3 -4.1 41 68 A H E -l 65 0B 94 -2,-4.3 2,-0.5 -22,-0.3 25,-0.2 -0.999 64.5-145.4-147.7 146.2 -11.0 12.0 -4.2 42 69 A L E -l 66 0B 2 23,-1.9 25,-2.8 -2,-0.3 28,-0.2 -0.954 18.6-167.4-118.1 120.5 -7.4 11.1 -3.9 43 70 A G > - 0 0 32 -2,-0.5 3,-1.0 1,-0.2 26,-0.0 -0.341 42.0 -60.0 -93.9 179.0 -4.9 13.4 -2.2 44 71 A S T 3 S+ 0 0 74 1,-0.2 26,-0.3 -2,-0.1 -1,-0.2 -0.215 120.5 9.5 -58.2 149.7 -1.1 13.3 -2.2 45 72 A Y T > S+ 0 0 131 24,-2.7 3,-1.5 1,-0.1 -1,-0.2 0.803 74.1 161.2 47.8 41.5 0.5 10.2 -0.8 46 73 A S T < S+ 0 0 9 24,-1.3 -25,-0.1 -3,-1.0 3,-0.1 0.740 79.3 32.2 -61.7 -22.2 -2.8 8.3 -0.5 47 74 A F T > S+ 0 0 0 23,-0.8 3,-2.9 1,-0.1 -1,-0.3 0.086 73.8 131.2-124.4 25.2 -1.0 5.0 -0.3 48 75 A F T < S+ 0 0 134 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.802 72.5 59.8 -46.8 -34.3 2.2 6.0 1.6 49 76 A S T 3 S+ 0 0 32 1,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.354 96.9 63.3 -80.0 7.6 1.6 3.1 3.9 50 77 A F X + 0 0 2 -3,-2.9 3,-1.5 1,-0.1 -1,-0.2 -0.473 50.5 152.9-130.7 63.8 1.8 0.5 1.2 51 78 A P T 3 S+ 0 0 46 0, 0.0 25,-0.3 0, 0.0 24,-0.2 0.748 74.5 57.5 -63.7 -22.3 5.3 0.6 -0.4 52 79 A E T 3 S+ 0 0 60 -25,-0.7 -24,-0.1 -23,-0.1 22,-0.0 0.455 75.3 132.8 -88.1 -2.7 5.1 -3.0 -1.4 53 80 A L < + 0 0 0 -3,-1.5 23,-0.3 -6,-0.2 -23,-0.2 -0.248 18.8 162.5 -56.2 132.0 1.9 -2.7 -3.5 54 81 A Q + 0 0 77 -24,-2.9 24,-3.1 1,-0.3 25,-2.5 0.627 69.2 35.1-118.1 -34.3 2.1 -4.3 -7.0 55 82 A V E -cd 31 79A 45 -25,-2.2 -23,-2.3 23,-0.2 2,-0.5 -0.985 63.0-179.4-130.1 121.5 -1.6 -4.5 -7.9 56 83 A L E -cd 32 80A 0 23,-2.7 25,-2.7 -2,-0.4 2,-0.7 -0.951 7.3-166.9-125.8 112.8 -4.2 -1.8 -6.9 57 84 A D E +cd 33 81A 33 -25,-2.4 -23,-2.7 -2,-0.5 -22,-0.2 -0.875 21.2 156.6-101.2 114.3 -7.9 -2.1 -7.9 58 85 A L > + 0 0 0 23,-2.8 3,-0.6 -2,-0.7 5,-0.2 -0.050 21.8 147.6-125.2 29.5 -9.8 1.1 -7.4 59 86 A S T 3 + 0 0 19 1,-0.2 -23,-1.8 2,-0.1 25,-0.2 -0.368 65.9 11.4 -70.6 144.7 -12.7 0.6 -9.8 60 87 A R T 3 S+ 0 0 94 23,-2.3 -1,-0.2 22,-0.2 24,-0.1 0.908 80.9 135.0 56.8 46.9 -16.1 2.0 -9.1 61 88 A C S < S- 0 0 0 -3,-0.6 -21,-1.6 -25,-0.2 -22,-0.7 0.081 72.6-117.8-110.2 21.2 -14.9 4.2 -6.2 62 89 A E + 0 0 99 22,-0.3 2,-0.2 1,-0.2 23,-0.1 0.743 52.5 172.9 49.0 28.1 -16.8 7.2 -7.3 63 90 A I + 0 0 0 -5,-0.2 -22,-0.2 1,-0.2 -1,-0.2 -0.467 17.8 170.3 -69.8 132.8 -13.5 9.0 -7.7 64 91 A Q + 0 0 72 -24,-3.1 24,-2.9 1,-0.3 25,-1.8 0.703 62.8 21.1-110.8 -35.2 -13.8 12.5 -9.3 65 92 A T E -lm 41 89B 17 -25,-1.0 -23,-1.9 22,-0.2 2,-0.4 -0.964 50.8-161.8-140.2 156.8 -10.3 13.8 -8.9 66 93 A I E -lm 42 90B 1 23,-0.9 25,-1.4 -2,-0.3 28,-0.2 -0.958 20.7-149.0-138.6 115.3 -6.7 12.8 -8.3 67 94 A E > - 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