==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-NOV-11 3ULA . 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 . 832 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 6 0.7 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 . 114 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 2 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 6 16 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 . 4 2 2 4 6 0 2 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 . 4 2 0 2 0 2 2 0 0 0 0 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 0 117 0, 0.0 4,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 146.5 30.4 -8.2 -59.6 2 28 A P + 0 0 90 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.623 360.0 92.5 -70.1 -8.8 30.6 -4.4 -59.9 3 29 A a S S- 0 0 13 1,-0.1 2,-0.3 11,-0.1 11,-0.2 -0.094 84.3-114.0 -70.3 174.0 30.8 -4.9 -56.1 4 30 A V - 0 0 81 9,-0.4 9,-1.5 0, 0.0 2,-0.5 -0.825 19.5-141.8-113.2 156.0 34.1 -5.2 -54.3 5 31 A E E +A 12 0A 94 -2,-0.3 7,-0.2 7,-0.2 0, 0.0 -0.976 29.1 161.2-124.8 124.1 35.4 -8.3 -52.5 6 32 A V E S+ 0 0 96 5,-2.3 6,-0.2 -2,-0.5 -1,-0.1 0.662 82.3 22.0-107.1 -30.7 37.2 -8.2 -49.2 7 33 A V E >> S-A 11 0A 57 4,-1.6 4,-2.1 0, 0.0 3,-1.7 -0.971 92.7-112.8-140.3 122.8 36.7 -11.8 -48.1 8 34 A P T 34 S- 0 0 72 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.319 95.7 -8.9 -58.7 128.9 35.8 -14.5 -50.8 9 35 A N T 34 S+ 0 0 92 1,-0.1 3,-0.1 -2,-0.1 20,-0.1 0.643 137.4 63.3 56.5 16.3 32.3 -15.9 -50.5 10 36 A I T <4 S+ 0 0 52 -3,-1.7 22,-2.5 20,-0.2 21,-2.4 0.663 96.3 28.4-131.7 -56.3 32.0 -14.0 -47.2 11 37 A T E < +Ab 7 32A 34 -4,-2.1 -5,-2.3 20,-0.2 -4,-1.6 -0.926 56.3 175.5-126.6 114.8 32.3 -10.1 -47.2 12 38 A Y E -Ab 5 33A 6 20,-1.9 22,-2.0 -2,-0.5 2,-0.6 -0.920 16.8-159.3-117.5 138.3 31.2 -7.9 -50.1 13 39 A Q E + b 0 34A 71 -9,-1.5 2,-0.9 -2,-0.4 -9,-0.4 -0.768 15.5 170.8-117.4 86.8 31.1 -4.1 -50.1 14 40 A a > + 0 0 0 20,-1.2 3,-0.8 -2,-0.6 5,-0.2 -0.200 30.3 158.3 -85.7 44.4 28.8 -2.9 -52.9 15 41 A M T 3 - 0 0 27 -2,-0.9 22,-0.2 1,-0.2 20,-0.1 -0.510 59.0 -2.0 -78.9 135.6 29.1 0.6 -51.5 16 42 A E T 3 S+ 0 0 73 20,-1.9 -1,-0.2 -2,-0.2 2,-0.2 0.549 86.6 134.1 67.1 14.1 28.4 3.7 -53.6 17 43 A L S < S- 0 0 56 -3,-0.8 -1,-0.1 19,-0.3 21,-0.1 -0.026 70.7-118.3 -87.1 30.4 27.6 1.6 -56.7 18 44 A N + 0 0 98 19,-0.5 20,-0.1 -2,-0.2 -1,-0.1 0.691 51.3 169.4 43.9 28.0 24.4 3.4 -57.8 19 45 A F - 0 0 25 -5,-0.2 -1,-0.1 18,-0.2 3,-0.1 -0.353 24.5-174.0 -66.8 151.8 22.2 0.3 -57.3 20 46 A Y S S+ 0 0 127 1,-0.3 2,-0.3 20,-0.1 -1,-0.2 0.470 73.6 35.5-117.8 -17.5 18.5 0.8 -57.5 21 47 A K S S- 0 0 164 20,-0.1 -1,-0.3 22,-0.0 20,-0.1 -0.964 100.1 -84.2-137.7 155.2 17.7 -2.8 -56.6 22 48 A I - 0 0 32 -2,-0.3 13,-0.0 18,-0.1 -2,-0.0 -0.373 48.9-131.8 -55.8 116.4 19.2 -5.4 -54.3 23 49 A P + 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 0.137 26.6 179.1 -57.8-171.0 22.0 -7.2 -56.2 24 50 A D + 0 0 110 26,-0.0 -2,-0.1 27,-0.0 24,-0.0 0.267 54.0 103.6-177.2 2.4 22.1 -11.0 -56.2 25 51 A N + 0 0 75 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.099 69.3 99.6 -81.7 20.4 25.2 -11.8 -58.4 26 52 A L S S- 0 0 10 1,-0.2 4,-0.0 -14,-0.0 -14,-0.0 -0.899 87.4 -88.0-114.0 140.5 26.7 -12.5 -54.9 27 53 A P - 0 0 38 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.208 28.7-124.9 -38.5 162.2 27.1 -16.0 -53.3 28 54 A F S S+ 0 0 153 1,-0.2 25,-0.4 23,-0.1 26,-0.1 0.475 108.5 56.0 -94.1 -3.3 24.3 -17.4 -51.2 29 55 A S S S+ 0 0 43 23,-0.1 -1,-0.2 24,-0.1 22,-0.1 0.451 73.6 141.0-103.8 -5.3 26.6 -17.9 -48.1 30 56 A T - 0 0 0 -3,-0.2 23,-0.2 1,-0.1 -20,-0.2 -0.031 27.6-176.4 -37.3 136.7 27.6 -14.2 -48.0 31 57 A K + 0 0 75 -21,-2.4 24,-3.4 1,-0.3 25,-1.8 0.712 64.3 40.3-114.7 -29.6 27.8 -13.2 -44.3 32 58 A N E +bc 11 56A 49 -22,-2.5 -20,-1.9 23,-0.2 2,-0.5 -0.948 64.7 177.3-129.1 113.7 28.6 -9.4 -44.4 33 59 A L E -bc 12 57A 3 23,-2.1 25,-2.0 -2,-0.5 2,-0.7 -0.914 12.0-167.3-124.4 110.0 27.0 -7.1 -46.9 34 60 A D E +bc 13 58A 23 -22,-2.0 -20,-1.2 -2,-0.5 25,-0.1 -0.815 17.8 161.5 -95.9 114.0 27.4 -3.4 -47.1 35 61 A L + 0 0 0 23,-2.4 3,-0.3 -2,-0.7 -1,-0.1 -0.136 23.0 151.4-119.8 34.9 24.9 -1.7 -49.4 36 62 A S + 0 0 0 1,-0.2 -20,-1.9 23,-0.1 -19,-0.3 -0.332 59.6 19.7 -68.6 148.7 25.3 1.9 -48.1 37 63 A W S S+ 0 0 41 23,-2.4 -19,-0.5 24,-0.3 25,-0.2 0.964 84.3 132.0 56.0 59.4 24.6 4.8 -50.4 38 64 A N - 0 0 1 -3,-0.3 2,-4.9 22,-0.3 3,-0.2 -0.921 66.7-120.5-141.5 111.7 22.5 3.1 -53.0 39 65 A P + 0 0 23 0, 0.0 3,-0.1 0, 0.0 24,-0.1 -0.039 59.1 145.8 -50.2 53.4 19.2 4.7 -54.1 40 66 A L + 0 0 5 -2,-4.9 2,-4.8 1,-0.2 23,-0.1 0.636 20.5 173.4 -67.7 -19.4 17.2 1.6 -53.0 41 67 A R + 0 0 92 21,-0.9 24,-2.6 -3,-0.2 25,-0.7 0.037 57.9 38.2 39.5 -44.2 14.3 3.8 -51.9 42 68 A H E -e 66 0B 124 -2,-4.8 2,-0.6 22,-0.2 25,-0.2 -0.997 60.8-158.9-136.9 141.4 11.9 1.0 -51.1 43 69 A L E -e 67 0B 0 23,-1.8 25,-1.4 -2,-0.4 2,-0.2 -0.945 23.8-169.6-117.8 104.9 12.5 -2.4 -49.5 44 70 A G > - 0 0 26 -2,-0.6 3,-1.9 1,-0.2 -2,-0.0 -0.483 39.9 -52.4 -95.2 167.6 9.6 -4.7 -50.4 45 71 A S T 3 S+ 0 0 72 1,-0.3 26,-0.2 -2,-0.2 -1,-0.2 0.088 126.6 6.1 -34.6 136.5 8.7 -8.1 -49.0 46 72 A Y T > S+ 0 0 131 24,-1.8 3,-2.5 23,-0.3 -1,-0.3 0.672 76.1 165.3 56.6 23.0 11.6 -10.6 -49.1 47 73 A S T < S+ 0 0 20 -3,-1.9 -1,-0.1 1,-0.3 25,-0.1 0.570 78.7 31.4 -44.6 -12.4 14.0 -7.8 -50.2 48 74 A F T > + 0 0 3 23,-0.5 3,-2.6 1,-0.1 -1,-0.3 0.252 69.2 134.8-135.2 18.1 16.9 -10.2 -49.2 49 75 A F T < S+ 0 0 139 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.1 0.546 70.3 65.6 -47.3 -7.9 15.7 -13.8 -49.8 50 76 A S T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.456 94.9 56.9 -96.9 1.6 19.0 -14.6 -51.5 51 77 A F X + 0 0 0 -3,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.367 53.4 156.9-128.2 52.5 21.2 -14.2 -48.4 52 78 A P T 3 S+ 0 0 37 0, 0.0 25,-0.4 0, 0.0 24,-0.2 0.547 78.4 53.2 -56.2 -3.0 19.7 -16.6 -45.8 53 79 A E T 3 S+ 0 0 69 -25,-0.4 22,-0.1 -23,-0.2 -24,-0.1 0.381 74.2 134.2-116.7 4.1 23.1 -16.5 -44.2 54 80 A L < + 0 0 0 -3,-2.5 -22,-0.2 1,-0.1 -23,-0.2 -0.124 22.6 174.0 -54.2 150.4 23.8 -12.8 -43.7 55 81 A Q + 0 0 63 -24,-3.4 24,-2.6 1,-0.5 25,-1.9 0.624 69.5 29.4-122.2 -53.3 25.1 -11.7 -40.3 56 82 A V E -cd 32 80A 49 -25,-1.8 -23,-2.1 23,-0.2 -1,-0.5 -0.931 67.1-178.5-116.9 138.3 25.9 -8.0 -40.7 57 83 A L E -cd 33 81A 0 23,-0.7 25,-2.4 -2,-0.4 2,-0.4 -0.999 9.1-164.7-138.1 136.8 24.0 -5.7 -43.0 58 84 A D E +cd 34 82A 13 -25,-2.0 -23,-2.4 -2,-0.4 25,-0.2 -0.989 20.5 159.5-124.7 130.3 24.5 -2.1 -43.8 59 85 A L > + 0 0 0 23,-2.5 3,-0.6 -2,-0.4 5,-0.2 -0.241 26.3 162.0-140.0 39.7 21.8 0.0 -45.6 60 86 A S T 3 - 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