==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 23-FEB-11 3QU6 . COMPND 2 MOLECULE: IRF3 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.E.DE IOANNES,C.R.ESCALANTE,A.K.AGGARWAL . 292 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.7 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 3 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 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 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 6 A P 0 0 103 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 154.4 22.1 22.6 29.5 2 7 A R > - 0 0 165 1,-0.1 4,-1.9 0, 0.0 5,-0.3 -0.853 360.0-131.2-103.2 136.8 25.6 23.1 28.2 3 8 A I H > S+ 0 0 9 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.842 97.4 53.5 -57.4 -42.0 26.5 21.6 24.9 4 9 A L H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.947 112.9 37.5 -65.8 -54.7 29.8 19.9 25.9 5 10 A P H > S+ 0 0 77 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.883 119.7 51.2 -61.9 -37.0 28.7 17.8 29.0 6 11 A W H X S+ 0 0 38 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.883 111.8 46.7 -65.9 -39.7 25.4 17.0 27.3 7 12 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.938 110.7 50.3 -70.2 -48.4 27.2 15.9 24.1 8 13 A V H X S+ 0 0 44 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.874 111.8 50.3 -58.6 -35.7 29.7 13.8 25.9 9 14 A S H X S+ 0 0 51 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.959 107.8 50.9 -68.9 -48.6 26.9 12.2 27.8 10 15 A Q H X>S+ 0 0 32 -4,-2.4 4,-1.5 1,-0.2 5,-0.6 0.874 114.2 46.9 -52.5 -38.5 24.9 11.4 24.6 11 16 A L H <5S+ 0 0 5 -4,-2.2 10,-0.3 2,-0.2 -1,-0.2 0.874 110.0 49.7 -75.1 -41.2 28.0 9.8 23.2 12 17 A D H <5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.891 112.1 50.2 -63.8 -41.9 28.9 7.7 26.3 13 18 A L H <5S- 0 0 86 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.836 90.7-157.9 -64.8 -38.6 25.3 6.4 26.3 14 19 A G T <5 + 0 0 31 -4,-1.5 -3,-0.1 -5,-0.2 4,-0.1 0.779 47.0 130.4 67.6 29.6 25.4 5.5 22.7 15 20 A Q < + 0 0 86 -5,-0.6 2,-0.6 2,-0.1 -1,-0.1 0.518 46.5 85.3 -92.3 -8.5 21.6 5.6 22.1 16 21 A L S > S- 0 0 32 -6,-0.4 3,-1.8 3,-0.3 2,-0.1 -0.859 85.5-116.3-101.0 124.3 21.6 7.8 19.0 17 22 A E T 3 S+ 0 0 106 -2,-0.6 3,-0.1 1,-0.3 103,-0.1 -0.342 96.5 3.5 -60.8 127.1 22.1 6.0 15.7 18 23 A G T 3 S+ 0 0 9 1,-0.2 2,-0.8 -4,-0.1 -1,-0.3 0.268 100.8 115.2 83.1 -10.7 25.2 7.0 13.9 19 24 A V < + 0 0 6 -3,-1.8 -3,-0.3 12,-0.1 2,-0.3 -0.813 46.6 132.3 -94.7 107.5 26.2 9.3 16.8 20 25 A A E -A 30 0A 11 10,-1.1 10,-2.8 -2,-0.8 2,-0.1 -0.998 61.9 -99.5-156.1 149.3 29.4 7.8 18.2 21 26 A W E -A 29 0A 9 -10,-0.3 8,-0.3 -2,-0.3 3,-0.0 -0.471 28.6-164.5 -60.2 139.3 33.0 8.2 19.4 22 27 A V + 0 0 29 6,-3.5 2,-0.3 -2,-0.1 7,-0.2 0.445 65.9 53.8-108.7 -4.4 35.3 7.2 16.6 23 28 A N S > S- 0 0 22 5,-0.9 3,-0.8 1,-0.1 5,-0.1 -0.902 80.1-122.2-126.6 161.8 38.5 6.9 18.6 24 29 A K T 3 S+ 0 0 146 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.847 111.3 55.4 -72.2 -30.1 39.4 4.9 21.7 25 30 A S T 3 S- 0 0 86 -3,-0.0 -1,-0.2 1,-0.0 -4,-0.0 0.631 106.0-129.5 -76.7 -10.7 40.5 7.9 23.7 26 31 A R S < S+ 0 0 116 -3,-0.8 -2,-0.1 2,-0.1 3,-0.1 0.919 74.3 118.3 60.5 44.1 37.1 9.5 23.1 27 32 A T + 0 0 51 1,-0.1 70,-2.4 70,-0.0 2,-0.4 0.377 68.9 56.2-103.0 -3.5 38.3 12.8 21.9 28 33 A R E + B 0 96A 43 68,-0.2 -6,-3.5 -5,-0.1 -5,-0.9 -0.990 63.3 173.6-136.8 133.9 36.7 12.4 18.4 29 34 A F E -AB 21 95A 0 66,-2.6 66,-2.5 -2,-0.4 2,-0.4 -0.935 23.2-125.1-143.4 162.8 33.1 11.7 17.3 30 35 A R E -AB 20 94A 5 -10,-2.8 -10,-1.1 -2,-0.3 64,-0.2 -0.815 12.4-170.0-110.9 137.5 30.7 11.4 14.4 31 36 A I E - B 0 93A 0 62,-2.5 62,-2.2 -2,-0.4 2,-0.2 -0.989 29.2-125.2-120.7 119.6 27.4 13.1 13.7 32 37 A P E - B 0 92A 45 0, 0.0 2,-0.4 0, 0.0 60,-0.3 -0.500 40.3-178.2 -62.0 129.0 25.2 11.9 10.8 33 38 A W - 0 0 9 58,-2.2 2,-0.6 -2,-0.2 -2,-0.0 -0.914 17.2-174.9-140.3 114.6 24.7 15.0 8.7 34 39 A K 0 0 58 -2,-0.4 52,-0.1 1,-0.2 51,-0.1 -0.873 360.0 360.0-116.0 108.8 22.7 15.5 5.5 35 40 A H 0 0 161 50,-1.2 -1,-0.2 -2,-0.6 51,-0.1 0.791 360.0 360.0 -48.0 360.0 22.7 18.8 3.6 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 49 A E 0 0 130 0, 0.0 188,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.5 11.2 11.2 11.2 38 50 A D + 0 0 102 1,-0.1 3,-0.1 2,-0.0 0, 0.0 0.987 360.0 179.0 -63.3 -59.9 14.9 11.8 12.1 39 51 A F + 0 0 48 1,-0.1 -1,-0.1 -23,-0.0 2,-0.0 0.822 39.0 134.0 49.3 37.4 14.6 11.9 15.9 40 52 A G S > S- 0 0 18 -24,-0.1 4,-2.3 -22,-0.0 3,-0.2 0.007 74.2 -63.0 -97.0-157.2 18.4 12.4 16.0 41 53 A I H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.782 125.4 59.7 -67.0 -30.0 20.8 14.7 17.8 42 54 A F H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 112.7 37.8 -63.9 -45.8 19.5 17.9 16.3 43 55 A Q H > S+ 0 0 16 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 114.1 56.1 -74.9 -37.1 16.0 17.4 17.6 44 56 A A H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 109.6 46.5 -57.4 -45.6 17.2 15.9 20.9 45 57 A W H X S+ 0 0 19 -4,-2.5 4,-2.3 2,-0.2 6,-0.3 0.873 110.2 53.6 -64.4 -39.2 19.3 19.1 21.5 46 58 A A H <>S+ 0 0 4 -4,-1.8 6,-2.0 1,-0.2 5,-1.1 0.872 111.7 45.5 -62.5 -39.4 16.3 21.3 20.6 47 59 A E H ><5S+ 0 0 11 -4,-2.4 3,-1.0 4,-0.2 -2,-0.2 0.901 111.7 51.0 -71.3 -41.4 14.2 19.5 23.1 48 60 A A H 3<5S+ 0 0 33 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.886 113.8 44.9 -62.7 -39.0 16.9 19.7 25.8 49 61 A T T 3<5S- 0 0 59 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.375 113.0-118.0 -85.7 2.0 17.3 23.4 25.2 50 62 A G T < 5S+ 0 0 27 -3,-1.0 -3,-0.2 2,-0.2 3,-0.1 0.492 83.0 120.6 75.0 1.5 13.5 24.0 25.2 51 63 A A S > - 0 0 13 -2,-0.4 4,-2.1 -3,-0.1 3,-1.4 -0.994 41.2-112.7-114.1 124.1 8.3 21.3 22.5 54 66 A P B 34 S+d 57 0B 4 0, 0.0 4,-0.1 0, 0.0 173,-0.1 -0.304 99.9 8.1 -57.0 133.1 6.2 18.6 20.7 55 67 A G T 34 S+ 0 0 37 2,-0.6 3,-0.1 1,-0.1 172,-0.1 0.136 120.8 72.3 80.3 -21.7 2.8 20.0 19.7 56 68 A R T <4 S+ 0 0 145 -3,-1.4 2,-0.3 1,-0.1 -1,-0.1 0.851 105.0 30.6 -83.8 -42.6 3.7 23.5 20.8 57 69 A D B < S-d 54 0B 56 -4,-2.1 -2,-0.6 3,-0.0 -1,-0.1 -0.750 85.8-114.3-114.3 156.6 6.0 24.1 17.8 58 70 A K - 0 0 80 -2,-0.3 2,-0.1 -4,-0.1 -5,-0.0 -0.722 48.7 -90.7 -86.7 145.3 6.0 22.8 14.3 59 71 A P + 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.356 47.8 178.5 -57.0 126.7 8.9 20.5 13.4 60 72 A D > + 0 0 67 1,-0.1 4,-2.0 -2,-0.1 5,-0.1 -0.718 9.9 169.2-133.1 96.1 11.8 22.6 12.0 61 73 A L H > S+ 0 0 64 -2,-0.3 4,-3.2 2,-0.2 5,-0.3 0.889 76.3 54.6 -73.8 -43.5 14.9 20.5 11.1 62 74 A P H > S+ 0 0 82 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.918 113.0 46.2 -59.0 -38.5 16.9 23.1 9.1 63 75 A T H > S+ 0 0 30 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.903 111.0 51.4 -67.4 -42.8 16.6 25.4 12.1 64 76 A W H X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.917 110.7 48.9 -60.1 -42.0 17.5 22.6 14.5 65 77 A K H X S+ 0 0 37 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.817 113.6 47.9 -67.3 -28.7 20.6 21.8 12.4 66 78 A R H X S+ 0 0 140 -4,-1.4 4,-2.6 -5,-0.3 -2,-0.2 0.931 111.1 48.0 -77.3 -46.9 21.4 25.5 12.5 67 79 A N H X S+ 0 0 70 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.897 115.2 47.4 -57.9 -38.2 21.0 26.0 16.2 68 80 A F H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.855 110.3 49.7 -75.2 -38.8 23.1 22.9 16.8 69 81 A R H X S+ 0 0 76 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.912 111.8 51.5 -63.2 -41.6 25.9 23.9 14.4 70 82 A S H X S+ 0 0 63 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.917 108.7 48.8 -59.8 -47.4 25.9 27.3 16.1 71 83 A A H < S+ 0 0 23 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.847 116.1 44.6 -66.4 -31.8 26.2 25.9 19.7 72 84 A M H >< S+ 0 0 0 -4,-1.6 3,-1.2 2,-0.2 -2,-0.2 0.915 109.0 52.7 -77.2 -46.2 29.1 23.5 18.6 73 85 A N H 3< S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.775 103.8 60.2 -65.1 -25.4 31.1 26.0 16.5 74 86 A R T 3< S+ 0 0 209 -4,-1.4 2,-0.3 -5,-0.2 -1,-0.3 0.697 80.2 100.6 -72.6 -22.3 31.2 28.5 19.4 75 87 A K X - 0 0 54 -3,-1.2 3,-1.3 -4,-0.4 -3,-0.0 -0.531 65.8-148.4 -74.4 128.4 33.0 26.0 21.8 76 88 A E T 3 S+ 0 0 181 -2,-0.3 -1,-0.1 1,-0.3 22,-0.0 0.861 94.2 49.5 -66.4 -37.3 36.7 26.8 22.0 77 89 A G T 3 S+ 0 0 28 20,-0.1 21,-2.5 2,-0.0 2,-0.5 0.278 95.7 87.8 -88.9 13.6 37.8 23.2 22.6 78 90 A L E < -C 97 0A 14 -3,-1.3 2,-0.3 19,-0.2 19,-0.2 -0.958 52.6-179.2-117.6 119.3 35.8 21.8 19.7 79 91 A R E -C 96 0A 126 17,-2.1 17,-2.7 -2,-0.5 2,-0.8 -0.845 32.6-120.6-108.6 145.4 37.2 21.7 16.1 80 92 A L E -C 95 0A 54 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.811 32.1-178.9 -80.6 114.4 35.5 20.4 13.0 81 93 A A E + 0 0 13 13,-1.9 2,-0.3 -2,-0.8 14,-0.2 0.818 60.8 6.2 -84.5 -36.3 37.8 17.6 11.9 82 94 A E E -C 94 0A 16 12,-2.0 12,-2.2 107,-0.1 2,-0.6 -0.979 52.7-152.9-153.1 139.1 36.1 16.5 8.8 83 95 A D E +C 93 0A 85 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.924 31.5 148.1-116.2 104.3 33.1 17.4 6.6 84 96 A R E > +C 92 0A 60 8,-2.2 3,-1.7 -2,-0.6 8,-0.5 0.038 31.3 123.4-107.7 13.2 31.5 14.5 4.7 85 97 A S T 3 S+ 0 0 3 6,-0.3 -50,-1.2 1,-0.3 8,-0.1 0.556 70.4 53.5 -63.9 -11.5 28.0 15.9 4.7 86 98 A K T 3 S+ 0 0 127 6,-0.2 -1,-0.3 -52,-0.1 -2,-0.1 0.574 79.8 119.8 -94.5 -10.6 27.6 15.8 0.9 87 99 A D < - 0 0 22 -3,-1.7 -3,-0.1 5,-0.2 0, 0.0 -0.288 57.7-146.7 -56.1 132.8 28.6 12.1 0.7 88 100 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.769 90.8 50.1 -69.8 -31.6 25.8 9.9 -0.9 89 101 A H S S- 0 0 56 1,-0.2 93,-0.1 92,-0.1 33,-0.0 0.984 133.6 -10.1 -77.4 -63.6 26.6 6.7 1.2 90 102 A D S S- 0 0 0 -6,-0.1 -1,-0.2 2,-0.1 2,-0.2 -0.657 71.1-153.7-138.1 85.2 26.7 8.0 4.8 91 103 A P + 0 0 29 0, 0.0 -58,-2.2 0, 0.0 2,-0.3 -0.381 35.6 144.3 -62.5 126.5 26.7 11.8 5.1 92 104 A H E -BC 32 84A 1 -8,-0.5 -8,-2.2 -60,-0.3 2,-0.3 -0.978 42.0-136.2-155.2 161.2 28.5 12.8 8.3 93 105 A K E -BC 31 83A 4 -62,-2.2 -62,-2.5 -2,-0.3 2,-0.5 -0.959 16.1-146.4-119.0 147.0 30.7 15.3 10.1 94 106 A I E -BC 30 82A 0 -12,-2.2 -12,-2.0 -2,-0.3 -13,-1.9 -0.959 15.4-168.6-109.1 126.1 33.6 14.4 12.5 95 107 A Y E -BC 29 80A 2 -66,-2.5 -66,-2.6 -2,-0.5 2,-0.3 -0.860 3.5-158.8-110.0 151.9 34.2 16.7 15.5 96 108 A E E -BC 28 79A 40 -17,-2.7 -17,-2.1 -2,-0.3 2,-0.5 -0.899 19.3-127.5-128.0 152.2 37.3 16.7 17.7 97 109 A F E C 0 78A 50 -70,-2.4 -19,-0.2 -2,-0.3 -20,-0.1 -0.917 360.0 360.0 -95.4 126.6 38.2 17.9 21.2 98 110 A V 0 0 131 -21,-2.5 -20,-0.0 -2,-0.5 -2,-0.0 -0.755 360.0 360.0 -99.8 360.0 41.3 20.0 21.0 99 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 100 5 B K 0 0 129 0, 0.0 49,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 104.3 26.9 -21.6 14.0 101 6 B P - 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