==== 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 3UL8 . 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 . 277 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 18.4 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 . 34 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.1 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 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 RESIDUES PER ALPHA HELIX . 2 3 8 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 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 27 A E 0 0 133 0, 0.0 2,-4.7 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 37.9 11.3 5.9 9.9 2 28 A P + 0 0 101 0, 0.0 2,-0.0 0, 0.0 3,-0.0 0.138 360.0 84.5 23.1 -40.6 14.6 6.0 7.9 3 29 A a S S- 0 0 12 -2,-4.7 2,-0.4 1,-0.1 11,-0.2 -0.349 93.7-105.4 -70.8 167.1 12.8 6.6 4.6 4 30 A V E -A 13 0A 91 9,-1.9 9,-2.3 -2,-0.0 2,-1.1 -0.792 22.0-130.6 -98.2 139.8 12.0 10.3 4.0 5 31 A E E +A 12 0A 95 -2,-0.4 7,-0.2 7,-0.2 -1,-0.0 -0.759 31.5 169.5 -91.8 98.4 8.5 11.5 4.5 6 32 A V E S+ 0 0 80 5,-1.4 6,-0.2 -2,-1.1 -1,-0.2 0.869 79.1 6.9 -74.1 -38.2 7.7 13.5 1.3 7 33 A V E >> S-A 11 0A 60 4,-2.2 3,-3.0 -3,-0.2 4,-1.9 -0.888 93.5-102.9-150.2 114.8 4.0 13.7 2.2 8 34 A P T 34 S- 0 0 74 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.015 102.8 -9.8 -38.0 123.9 2.5 12.4 5.6 9 35 A N T 34 S+ 0 0 84 1,-0.1 3,-0.1 2,-0.1 17,-0.0 0.677 138.0 63.7 55.1 19.4 0.8 9.0 5.1 10 36 A I T <4 S+ 0 0 56 -3,-3.0 21,-2.9 1,-0.3 22,-2.8 0.626 96.1 24.4-131.6 -64.5 1.2 9.6 1.4 11 37 A T E < +Ab 7 32A 28 -4,-1.9 -4,-2.2 20,-0.2 -5,-1.4 -0.941 54.3 175.8-121.4 137.7 4.7 9.7 -0.2 12 38 A Y E -Ab 5 33A 3 20,-2.0 22,-1.8 -2,-0.4 2,-0.7 -0.996 21.9-146.3-141.0 143.3 8.0 8.4 1.0 13 39 A Q E +Ab 4 34A 59 -9,-2.3 -9,-1.9 -2,-0.3 22,-0.1 -0.873 29.4 156.9-111.1 100.1 11.6 8.2 -0.4 14 40 A a > + 0 0 0 20,-1.9 3,-0.6 -2,-0.7 5,-0.2 0.317 24.9 137.4-104.0 6.7 13.3 5.1 0.6 15 41 A M T 3 + 0 0 63 19,-0.6 22,-0.2 1,-0.2 21,-0.1 -0.225 69.9 9.0 -59.9 142.7 15.9 4.9 -2.2 16 42 A E T 3 S+ 0 0 139 20,-1.6 -1,-0.2 19,-0.2 22,-0.2 0.897 81.5 127.1 56.2 50.2 19.5 4.0 -1.3 17 43 A L S < S- 0 0 56 -3,-0.6 21,-0.1 18,-0.1 -1,-0.1 0.216 77.5-117.8-113.8 7.1 18.8 3.0 2.3 18 44 A N + 0 0 137 19,-0.5 2,-0.2 1,-0.2 20,-0.1 0.839 52.3 172.4 59.0 37.8 20.5 -0.4 1.8 19 45 A F - 0 0 40 -5,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.492 29.7-167.9 -78.1 144.8 17.2 -2.3 2.6 20 46 A Y S S+ 0 0 179 -2,-0.2 22,-0.3 1,-0.1 2,-0.3 0.602 75.2 18.6-103.8 -17.2 17.0 -6.1 2.1 21 47 A K S S- 0 0 101 20,-0.1 -1,-0.1 22,-0.0 22,-0.1 -0.877 97.6 -71.7-142.7 176.1 13.2 -6.2 2.4 22 48 A I - 0 0 20 -2,-0.3 -2,-0.0 25,-0.1 26,-0.0 -0.571 56.1-118.5 -73.2 127.1 10.1 -4.0 2.3 23 49 A P - 0 0 8 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.236 20.4-165.1 -64.9 155.3 10.0 -1.7 5.3 24 50 A D + 0 0 112 1,-0.1 2,-0.5 27,-0.0 -2,-0.0 0.308 69.8 89.4-121.0 -0.2 7.1 -2.0 7.8 25 51 A N S S+ 0 0 54 -24,-0.0 -1,-0.1 2,-0.0 0, 0.0 -0.292 71.2 95.3 -94.8 48.6 7.6 1.3 9.6 26 52 A L S S- 0 0 17 -2,-0.5 -14,-0.0 24,-0.1 4,-0.0 -0.991 83.6 -90.1-139.5 145.9 5.4 3.3 7.2 27 53 A P > - 0 0 38 0, 0.0 3,-1.1 0, 0.0 -2,-0.0 -0.114 27.9-131.2 -51.9 145.3 1.6 4.3 7.2 28 54 A F T 3 S+ 0 0 137 1,-0.2 25,-0.5 23,-0.1 26,-0.1 0.749 103.4 64.6 -72.8 -22.1 -0.8 1.9 5.7 29 55 A S T 3 S+ 0 0 28 23,-0.1 -1,-0.2 24,-0.1 22,-0.1 0.392 73.7 141.7 -80.9 1.8 -2.5 4.7 3.6 30 56 A T < + 0 0 0 -3,-1.1 -20,-0.2 1,-0.1 -19,-0.2 -0.010 25.6 176.9 -44.7 145.3 0.7 5.2 1.7 31 57 A K + 0 0 44 -21,-2.9 24,-2.9 1,-0.3 25,-1.9 0.658 63.7 42.3-122.0 -36.5 0.2 6.0 -2.0 32 58 A N E +bc 11 56A 47 -22,-2.8 -20,-2.0 23,-0.2 2,-0.5 -0.956 60.2 176.1-124.6 117.2 3.6 6.6 -3.4 33 59 A L E -bc 12 57A 3 23,-2.9 25,-2.7 -2,-0.5 2,-0.7 -0.970 10.6-170.4-125.2 120.4 6.6 4.5 -2.6 34 60 A D E +bc 13 58A 38 -22,-1.8 -20,-1.9 -2,-0.5 -19,-0.6 -0.887 17.9 159.9-109.2 100.7 10.1 5.0 -4.2 35 61 A L + 0 0 0 23,-2.4 3,-0.3 -2,-0.7 -19,-0.2 0.221 21.5 150.8-104.9 16.6 12.4 2.1 -3.2 36 62 A S + 0 0 4 22,-0.4 -20,-1.6 1,-0.2 25,-0.2 0.016 58.8 22.3 -50.5 150.7 14.9 2.4 -6.0 37 63 A F S S+ 0 0 96 23,-2.9 -19,-0.5 -22,-0.2 25,-0.2 0.891 85.7 131.0 60.1 44.5 18.5 1.3 -5.5 38 64 A N - 0 0 0 22,-0.3 2,-2.4 -3,-0.3 3,-0.3 -0.997 65.8-120.6-126.0 129.7 17.9 -1.1 -2.6 39 65 A P + 0 0 24 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.438 54.1 149.8 -68.7 77.7 19.4 -4.6 -2.7 40 66 A L + 0 0 7 -2,-2.4 2,-3.8 22,-1.9 23,-0.2 0.781 20.8 179.3 -82.5 -25.7 16.0 -6.3 -2.5 41 67 A R + 0 0 125 21,-1.5 24,-3.4 -3,-0.3 25,-0.9 -0.193 60.3 26.5 59.7 -58.5 17.3 -9.3 -4.5 42 68 A H E -l 66 0B 96 -2,-3.8 2,-0.5 -22,-0.3 25,-0.2 -0.971 61.5-150.5-136.8 152.9 14.0 -11.2 -4.4 43 69 A L E -l 67 0B 4 23,-1.8 25,-2.8 -2,-0.3 28,-0.1 -0.921 20.7-170.7-124.3 104.8 10.3 -10.5 -4.1 44 70 A G > - 0 0 30 -2,-0.5 3,-0.6 23,-0.2 26,-0.0 -0.171 42.2 -59.4 -82.1-178.2 8.3 -13.2 -2.4 45 71 A S T 3 S+ 0 0 71 1,-0.2 26,-0.3 2,-0.1 -1,-0.2 -0.305 120.0 10.8 -64.1 144.4 4.5 -13.4 -2.2 46 72 A Y T > S+ 0 0 136 24,-2.6 3,-0.8 1,-0.1 -1,-0.2 0.919 73.6 156.2 51.7 51.5 2.7 -10.5 -0.4 47 73 A S T < S+ 0 0 25 24,-1.7 25,-0.1 -3,-0.6 -1,-0.1 0.537 78.0 36.1 -81.5 -5.5 5.8 -8.3 -0.3 48 74 A F T > S+ 0 0 0 23,-0.4 3,-1.3 1,-0.1 27,-0.3 -0.123 73.5 125.1-137.0 37.3 3.6 -5.3 -0.1 49 75 A F T < S+ 0 0 138 -3,-0.8 -2,-0.1 1,-0.3 -1,-0.1 0.786 73.7 59.3 -69.1 -25.6 0.7 -6.5 2.0 50 76 A S T 3 S+ 0 0 55 1,-0.2 -1,-0.3 -4,-0.2 -24,-0.1 0.123 103.4 55.2 -89.5 22.6 1.3 -3.6 4.5 51 77 A F X + 0 0 1 -3,-1.3 3,-2.0 -22,-0.1 -1,-0.2 -0.239 54.7 148.1-147.0 46.3 0.7 -1.1 1.6 52 78 A P T 3 S+ 0 0 48 0, 0.0 24,-0.3 0, 0.0 25,-0.2 0.420 73.3 63.7 -66.5 5.8 -2.8 -2.0 0.2 53 79 A E T 3 S+ 0 0 54 -25,-0.5 -24,-0.1 -23,-0.1 -25,-0.0 0.302 74.2 129.1-110.9 5.3 -3.1 1.7 -0.6 54 80 A L < + 0 0 0 -3,-2.0 23,-0.3 -6,-0.2 -22,-0.2 -0.236 22.3 164.8 -64.6 151.3 -0.3 2.0 -3.1 55 81 A Q S S+ 0 0 80 -24,-2.9 25,-2.2 1,-0.3 24,-2.1 0.434 72.6 35.1-137.2 -20.5 -0.7 3.6 -6.5 56 82 A V E +cd 32 80A 47 -25,-1.9 -23,-2.9 23,-0.2 2,-0.5 -0.929 62.0 176.5-144.7 116.2 2.9 4.2 -7.5 57 83 A L E -cd 33 81A 0 23,-2.6 25,-2.4 -2,-0.3 2,-0.7 -0.975 10.3-164.3-125.8 120.0 5.8 1.9 -6.7 58 84 A D E +cd 34 82A 30 -25,-2.7 -23,-2.4 -2,-0.5 -22,-0.4 -0.890 18.5 163.1-107.4 108.6 9.3 2.5 -8.0 59 85 A L > + 0 0 0 23,-3.3 3,-0.8 -2,-0.7 5,-0.3 -0.059 21.6 159.3-111.7 30.4 11.7 -0.5 -7.7 60 86 A S T 3 - 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