==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 10-JUN-13 4L5E . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR (NTRC FAMILY); . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR A.YOUNG,A.E.MARIS,N.K.VIDANGOS,E.HONG,J.G.PELTON,J.D.BATCHEL . 46 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 80.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 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 . 2 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 6.5 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 393 A H 0 0 235 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.5 10.1 20.1 -19.4 2 394 A K - 0 0 103 4,-0.1 2,-0.0 3,-0.0 0, 0.0 -0.784 360.0-144.0 -95.3 126.1 8.1 17.9 -16.9 3 395 A S > - 0 0 59 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.265 33.3-101.2 -69.4 166.9 7.3 14.3 -17.8 4 396 A I H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.907 125.7 53.2 -54.9 -43.5 4.1 12.6 -16.8 5 397 A K H > S+ 0 0 144 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 109.8 47.2 -60.9 -42.6 5.9 10.9 -14.0 6 398 A E H > S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.910 109.7 52.5 -67.6 -41.8 7.3 14.2 -12.7 7 399 A I H X S+ 0 0 87 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.923 112.2 46.1 -59.7 -44.3 3.9 16.0 -12.9 8 400 A E H X S+ 0 0 78 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.938 112.8 49.7 -63.0 -47.3 2.4 13.1 -10.8 9 401 A K H X S+ 0 0 64 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.914 110.0 50.7 -57.9 -46.3 5.3 13.2 -8.3 10 402 A E H X S+ 0 0 74 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.895 112.5 46.0 -62.5 -40.7 5.1 16.9 -7.8 11 403 A E H X S+ 0 0 88 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.910 111.5 51.5 -70.2 -41.1 1.3 16.8 -7.2 12 404 A I H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 114.6 42.6 -58.6 -48.6 1.6 13.9 -4.7 13 405 A I H X S+ 0 0 61 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.896 112.4 54.1 -68.4 -38.6 4.3 15.6 -2.7 14 406 A K H X S+ 0 0 116 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.936 111.4 45.0 -57.8 -48.3 2.5 19.0 -2.9 15 407 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.926 110.0 54.2 -66.7 -42.8 -0.7 17.5 -1.5 16 408 A L H <>S+ 0 0 0 -4,-2.3 5,-3.4 -5,-0.2 6,-0.4 0.920 109.3 49.2 -56.8 -42.3 1.1 15.6 1.2 17 409 A K H ><5S+ 0 0 158 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.925 107.2 55.5 -60.3 -44.0 2.7 18.9 2.3 18 410 A E H 3<5S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.824 115.3 37.4 -59.8 -35.3 -0.7 20.5 2.4 19 411 A V T ><5S- 0 0 27 -4,-1.8 3,-1.6 -3,-0.2 -1,-0.3 0.058 115.8-109.4-108.9 25.5 -2.1 17.9 4.8 20 412 A N T < 5S- 0 0 146 -3,-1.6 -3,-0.2 1,-0.3 3,-0.1 0.867 73.8 -57.4 53.3 42.0 1.0 17.5 6.9 21 413 A F T 3 - 0 0 74 -3,-1.6 4,-2.5 -6,-0.4 -1,-0.2 -0.724 27.2-164.2 -75.2 102.8 -1.6 12.5 6.5 23 415 A K H > S+ 0 0 85 -2,-1.1 4,-3.0 1,-0.2 5,-0.2 0.896 80.6 54.5 -65.5 -40.8 -1.5 9.8 3.8 24 416 A K H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.952 112.9 42.5 -58.5 -50.7 -5.2 8.9 4.1 25 417 A L H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 113.6 53.1 -61.6 -42.9 -6.3 12.5 3.5 26 418 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.927 107.4 51.1 -58.5 -45.1 -3.7 12.9 0.8 27 419 A S H X>S+ 0 0 3 -4,-3.0 5,-1.8 1,-0.2 4,-1.2 0.899 109.7 50.4 -61.4 -39.1 -5.0 9.8 -1.0 28 420 A E H <5S+ 0 0 117 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.888 113.2 45.5 -66.5 -38.6 -8.6 11.1 -0.9 29 421 A I H <5S+ 0 0 93 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.881 113.4 49.3 -70.9 -38.8 -7.5 14.5 -2.3 30 422 A L H <5S- 0 0 39 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.673 107.9-125.2 -73.7 -18.9 -5.3 13.0 -5.0 31 423 A G T <5S+ 0 0 67 -4,-1.2 -3,-0.2 1,-0.3 -4,-0.1 0.774 71.0 116.1 76.9 27.4 -8.2 10.6 -6.1 32 424 A I S > - 0 0 56 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.283 33.6-116.9 -61.5 151.8 -6.4 4.5 -3.4 34 426 A L H 3> S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 116.1 58.2 -58.7 -37.8 -4.2 4.5 -0.2 35 427 A R H 3> S+ 0 0 187 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.856 105.5 50.3 -60.2 -35.0 -2.4 1.4 -1.5 36 428 A T H <> S+ 0 0 33 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.892 108.2 51.5 -72.2 -40.1 -1.5 3.3 -4.7 37 429 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.936 109.5 51.0 -59.4 -45.4 -0.1 6.2 -2.7 38 430 A Y H X S+ 0 0 126 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.926 110.3 49.8 -55.4 -45.7 2.0 3.8 -0.6 39 431 A K H X S+ 0 0 109 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.922 110.9 48.5 -62.1 -45.9 3.3 2.2 -3.8 40 432 A R H X S+ 0 0 42 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.926 111.3 49.4 -60.0 -46.9 4.2 5.6 -5.3 41 433 A L H X>S+ 0 0 14 -4,-2.6 5,-2.1 1,-0.2 4,-0.8 0.878 110.8 50.5 -64.5 -36.5 6.0 6.8 -2.1 42 434 A K H ><5S+ 0 0 147 -4,-2.2 3,-0.8 -5,-0.2 -1,-0.2 0.934 110.6 49.3 -63.0 -46.5 8.0 3.5 -2.0 43 435 A E H 3<5S+ 0 0 105 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.874 110.5 50.7 -61.5 -37.1 9.0 4.0 -5.7 44 436 A Y H 3<5S- 0 0 31 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.646 110.3-124.7 -74.8 -15.6 10.1 7.5 -4.9 45 437 A G T <<5 0 0 69 -3,-0.8 -3,-0.2 -4,-0.8 -2,-0.1 0.685 360.0 360.0 78.9 20.3 12.2 6.3 -2.0 46 438 A I < 0 0 121 -5,-2.1 -4,-0.2 -6,-0.2 -5,-0.1 0.790 360.0 360.0-100.3 360.0 10.4 8.7 0.4