==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 09-JUN-05 1ZY2 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR NTRC1; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.DOUCLEFF,B.CHEN,A.E.MARIS,D.E.WEMMER,E.KONDRASHKINA, . 265 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 2 0.8 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 . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 0 1 3 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 1 A M 0 0 63 0, 0.0 25,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.6 4.7 37.2 37.8 2 2 A N E -a 26 0A 31 23,-0.2 45,-1.9 42,-0.1 44,-1.0 -0.844 360.0-176.9-104.6 132.4 7.0 40.1 38.6 3 3 A V E -ab 27 47A 0 23,-2.4 25,-1.6 -2,-0.4 2,-0.7 -0.973 10.1-159.4-130.1 118.3 8.2 41.1 42.0 4 4 A L E -ab 28 48A 0 43,-2.1 45,-1.4 -2,-0.5 2,-0.4 -0.872 10.4-157.7 -97.1 115.1 10.4 44.1 42.6 5 5 A V E - b 0 49A 1 23,-1.8 25,-0.4 -2,-0.7 45,-0.1 -0.737 9.7-174.5 -90.2 140.2 12.3 43.9 45.8 6 6 A I E + b 0 50A 0 43,-1.2 45,-1.4 -2,-0.4 2,-0.3 -0.414 34.1 123.7-134.5 60.9 13.5 47.2 47.2 7 7 A E - 0 0 7 43,-0.1 23,-0.3 1,-0.1 47,-0.1 -0.744 45.0-155.1-111.3 161.4 15.6 46.5 50.3 8 8 A D + 0 0 54 -2,-0.3 2,-1.8 45,-0.2 23,-0.1 0.431 63.4 107.8-117.6 -0.9 19.2 47.7 50.8 9 9 A D > - 0 0 74 1,-0.2 4,-2.1 2,-0.0 5,-0.4 -0.605 67.4-146.6 -78.9 86.8 20.4 45.0 53.2 10 10 A K H > S+ 0 0 161 -2,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.639 91.9 44.4 -24.6 -36.9 22.6 43.2 50.7 11 11 A V H > S+ 0 0 101 2,-0.2 4,-3.6 3,-0.2 -1,-0.2 0.966 114.7 41.4 -80.8 -58.6 21.8 39.9 52.4 12 12 A F H > S+ 0 0 33 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.960 116.4 51.1 -55.0 -52.4 18.1 40.0 53.0 13 13 A R H X S+ 0 0 21 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.932 113.4 46.8 -49.7 -47.4 17.5 41.5 49.6 14 14 A G H X S+ 0 0 16 -4,-1.0 4,-2.8 -5,-0.4 -2,-0.2 0.936 108.4 53.0 -61.1 -49.7 19.6 38.7 48.2 15 15 A L H X S+ 0 0 72 -4,-3.6 4,-3.9 1,-0.2 -1,-0.2 0.940 109.6 50.7 -52.8 -50.5 17.9 35.9 50.1 16 16 A L H X S+ 0 0 2 -4,-2.7 4,-1.8 2,-0.2 5,-0.5 0.959 110.6 46.5 -50.8 -61.9 14.5 37.1 48.8 17 17 A E H X S+ 0 0 57 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.930 117.4 46.6 -44.3 -52.0 15.6 37.2 45.2 18 18 A E H X S+ 0 0 140 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.953 118.7 39.0 -56.9 -56.2 17.1 33.8 45.7 19 19 A Y H >X S+ 0 0 59 -4,-3.9 3,-2.0 1,-0.2 4,-1.1 0.993 113.8 50.7 -58.4 -73.5 14.1 32.3 47.5 20 20 A L H 3X>S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.3 5,-1.3 0.700 103.6 64.0 -39.0 -27.8 11.2 33.9 45.5 21 21 A S H 3<5S+ 0 0 54 -4,-1.3 -1,-0.3 -5,-0.5 -2,-0.2 0.915 96.5 54.3 -69.5 -41.6 13.0 32.6 42.4 22 22 A M H <<5S+ 0 0 163 -3,-2.0 -2,-0.2 -4,-1.1 -1,-0.2 0.969 102.8 57.5 -53.3 -55.3 12.5 29.0 43.3 23 23 A K H <5S- 0 0 90 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.897 127.7-104.1 -40.1 -47.6 8.8 29.6 43.7 24 24 A G T <5S+ 0 0 57 -4,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.655 70.4 143.7 120.2 44.1 9.0 30.7 40.1 25 25 A I < - 0 0 8 -5,-1.3 2,-0.6 -8,-0.1 -1,-0.2 -0.946 52.9-125.8-116.1 128.8 8.8 34.5 40.3 26 26 A K E -a 2 0A 139 -25,-2.0 -23,-2.4 -2,-0.5 2,-0.4 -0.627 41.5-169.5 -70.3 116.4 10.7 36.9 38.0 27 27 A V E +a 3 0A 31 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.875 20.6 176.9-114.5 148.5 12.5 39.0 40.6 28 28 A E E -a 4 0A 40 -25,-1.6 -23,-1.8 -2,-0.4 2,-0.1 -0.967 15.7-160.4-146.1 127.4 14.5 42.2 40.2 29 29 A S - 0 0 31 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.422 6.5-159.5-106.7-178.3 15.9 44.1 43.2 30 30 A A - 0 0 6 -25,-0.4 6,-0.0 -23,-0.3 -2,-0.0 -0.867 15.7-152.1-166.7 129.2 17.2 47.5 44.0 31 31 A E S S+ 0 0 104 -2,-0.3 2,-0.3 -25,-0.1 -1,-0.1 0.919 79.7 17.0 -66.0 -51.3 19.4 49.1 46.7 32 32 A R S > S- 0 0 138 22,-0.1 4,-1.8 23,-0.1 3,-0.2 -0.778 86.2 -93.7-124.7 169.6 18.0 52.6 46.9 33 33 A G H > S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.761 120.7 55.2 -52.5 -28.9 14.9 54.6 45.9 34 34 A K H > S+ 0 0 153 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.961 102.8 50.2 -75.6 -47.8 16.5 55.6 42.7 35 35 A E H > S+ 0 0 92 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.865 116.1 49.9 -55.2 -29.0 17.3 52.1 41.4 36 36 A A H X S+ 0 0 0 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.995 107.9 47.2 -72.2 -65.2 13.7 51.6 42.2 37 37 A Y H < S+ 0 0 61 -4,-3.1 4,-0.2 2,-0.2 -2,-0.2 0.781 113.3 53.1 -48.4 -26.9 12.2 54.6 40.5 38 38 A K H >< S+ 0 0 101 -4,-2.5 3,-2.3 -5,-0.2 -1,-0.2 0.991 113.9 39.9 -69.3 -63.2 14.3 53.7 37.5 39 39 A L H >X S+ 0 0 16 -4,-2.1 4,-1.8 1,-0.3 3,-1.3 0.809 112.9 54.9 -52.8 -38.0 13.0 50.2 37.4 40 40 A L T 3< S+ 0 0 27 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.508 106.9 53.9 -76.7 -0.6 9.4 51.2 38.2 41 41 A S T <4 S+ 0 0 86 -3,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.185 115.5 36.0-115.4 13.6 9.5 53.5 35.2 42 42 A E T <4 S+ 0 0 131 -3,-1.3 2,-0.2 1,-0.5 -2,-0.2 0.590 121.1 27.9-124.5 -58.4 10.5 50.9 32.7 43 43 A K S < S- 0 0 103 -4,-1.8 -1,-0.5 -5,-0.1 2,-0.5 -0.595 73.3-124.6-106.0 168.5 8.8 47.7 33.6 44 44 A H - 0 0 79 -2,-0.2 2,-0.4 -3,-0.1 -42,-0.1 -0.964 22.7-163.1-116.6 124.6 5.6 47.0 35.5 45 45 A F - 0 0 2 -2,-0.5 -42,-0.1 1,-0.2 3,-0.1 -0.869 16.6-152.3-110.6 147.3 5.6 44.8 38.5 46 46 A N S S+ 0 0 35 -44,-1.0 28,-2.7 -2,-0.4 2,-0.3 0.947 84.9 23.3 -75.6 -52.9 2.6 43.1 40.1 47 47 A V E -bc 3 74A 0 -45,-1.9 -43,-2.1 26,-0.2 2,-0.4 -0.822 64.5-166.7-116.2 154.2 4.0 43.0 43.6 48 48 A V E -bc 4 75A 0 26,-1.4 28,-2.4 -2,-0.3 2,-0.5 -0.957 13.4-149.8-144.5 119.8 6.7 45.1 45.3 49 49 A L E -bc 5 76A 4 -45,-1.4 -43,-1.2 -2,-0.4 2,-0.5 -0.795 27.3-160.7 -85.5 130.6 8.3 44.3 48.6 50 50 A L E -bc 6 77A 0 26,-2.2 28,-1.9 -2,-0.5 2,-0.3 -0.912 16.1-149.9-123.8 109.7 9.1 47.7 50.1 51 51 A X E - c 0 78A 15 -45,-1.4 28,-0.2 -2,-0.5 3,-0.1 -0.560 13.7-148.9 -72.3 135.7 11.7 48.5 52.8 52 52 A L S S+ 0 0 10 26,-0.7 7,-3.0 -2,-0.3 2,-0.8 0.963 81.9 54.9 -67.8 -52.4 10.4 51.5 54.6 53 53 A L B +E 58 0B 87 5,-0.2 -45,-0.2 6,-0.1 -1,-0.2 -0.758 64.9 157.4 -94.6 105.5 13.8 52.9 55.5 54 54 A L - 0 0 9 -2,-0.8 -22,-0.1 3,-0.7 5,-0.1 -0.886 47.2-114.4-121.6 154.4 16.2 53.5 52.6 55 55 A P S S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 -23,-0.1 0.754 105.8 30.4 -59.2 -35.1 19.2 56.0 52.5 56 56 A D S S+ 0 0 57 1,-0.2 2,-0.3 -3,-0.0 -24,-0.1 0.748 124.6 14.9-102.4 -26.5 18.0 58.5 49.9 57 57 A V S S- 0 0 32 3,-0.0 -3,-0.7 0, 0.0 2,-0.5 -0.972 78.8-101.2-145.9 157.8 14.2 58.6 50.1 58 58 A N B >> -E 53 0B 64 -2,-0.3 3,-1.6 -5,-0.1 4,-0.7 -0.726 32.0-122.8 -87.9 122.9 11.5 57.5 52.5 59 59 A G H >> S+ 0 0 0 -7,-3.0 4,-2.1 -2,-0.5 3,-1.5 0.736 108.4 56.1 -21.1 -69.0 9.6 54.3 51.7 60 60 A L H 3> S+ 0 0 8 1,-0.3 4,-3.3 2,-0.2 -1,-0.3 0.879 97.7 63.7 -38.5 -53.3 6.2 55.8 51.7 61 61 A E H <> S+ 0 0 107 -3,-1.6 4,-2.2 1,-0.3 -1,-0.3 0.881 108.4 42.0 -40.5 -49.5 7.3 58.4 49.0 62 62 A I H X S+ 0 0 2 -4,-3.1 4,-3.1 2,-0.2 3,-0.5 0.947 117.7 37.7 -52.6 -53.1 3.6 53.6 42.7 67 67 A K H 3< S+ 0 0 36 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.999 114.0 53.2 -61.9 -64.2 -0.1 53.8 43.7 68 68 A E H 3< S+ 0 0 117 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.642 125.5 29.6 -45.2 -14.1 -0.6 57.3 42.3 69 69 A R H << S+ 0 0 148 -4,-1.1 -2,-0.2 -3,-0.5 -3,-0.2 0.794 135.6 13.4-113.8 -61.6 0.8 55.9 39.1 70 70 A S >< + 0 0 30 -4,-3.1 3,-1.4 -5,-0.3 -2,-0.2 -0.698 61.7 172.4-122.1 83.8 0.2 52.2 38.6 71 71 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.721 72.4 75.3 -59.7 -27.0 -2.5 51.1 41.2 72 72 A E T 3 S+ 0 0 62 -3,-0.1 2,-0.7 -5,-0.1 -5,-0.1 0.416 79.3 95.9 -69.3 6.8 -2.8 47.7 39.7 73 73 A T S < S- 0 0 2 -3,-1.4 2,-0.5 -7,-0.2 -26,-0.2 -0.876 72.3-145.1-103.7 114.2 0.5 47.2 41.5 74 74 A E E -c 47 0A 17 -28,-2.7 -26,-1.4 -2,-0.7 2,-0.5 -0.697 15.0-160.1 -81.3 123.5 0.2 45.5 44.9 75 75 A V E -c 48 0A 0 -2,-0.5 2,-0.7 19,-0.4 22,-0.6 -0.905 8.7-167.1-109.0 118.0 2.8 46.9 47.4 76 76 A I E -cd 49 97A 1 -28,-2.4 -26,-2.2 -2,-0.5 2,-0.4 -0.884 15.2-147.6-102.8 109.2 3.8 45.0 50.5 77 77 A V E -cd 50 98A 0 20,-1.7 22,-2.5 -2,-0.7 2,-0.5 -0.605 15.4-173.2 -76.3 127.9 5.8 47.1 52.9 78 78 A I E +cd 51 99A 3 -28,-1.9 -26,-0.7 -2,-0.4 2,-0.3 -0.987 16.3 156.7-121.3 125.7 8.3 45.2 55.0 79 79 A T E - d 0 100A 2 20,-2.2 22,-3.7 -2,-0.5 3,-0.2 -0.991 45.1-162.0-150.6 155.2 10.2 47.0 57.7 80 80 A G S S+ 0 0 41 -2,-0.3 2,-0.1 20,-0.2 -1,-0.1 0.349 97.3 62.5-110.6 -3.3 12.1 46.6 60.9 81 81 A H S S+ 0 0 130 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 -0.468 78.9 138.7-119.5 56.9 11.6 50.2 61.7 82 82 A G - 0 0 29 -3,-0.2 2,-0.3 19,-0.1 143,-0.1 -0.698 29.7-173.4-107.5 159.0 7.8 50.4 61.9 83 83 A T > - 0 0 66 -2,-0.3 4,-3.2 1,-0.1 5,-0.3 -0.984 39.1-111.6-142.1 150.1 5.2 52.1 64.2 84 84 A I H > S+ 0 0 25 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.928 121.2 47.8 -51.2 -45.2 1.5 51.8 64.4 85 85 A K H > S+ 0 0 165 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.990 113.9 45.7 -56.3 -63.3 1.2 55.3 63.1 86 86 A T H > S+ 0 0 34 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.799 114.2 49.5 -49.4 -34.1 3.6 54.7 60.2 87 87 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 -1,-0.3 0.928 109.7 50.3 -75.0 -41.0 1.8 51.4 59.5 88 88 A V H X S+ 0 0 4 -4,-3.0 4,-3.1 -5,-0.3 -2,-0.2 0.934 110.2 50.0 -61.9 -43.0 -1.6 53.0 59.4 89 89 A E H X S+ 0 0 93 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.908 108.7 53.8 -59.5 -41.7 -0.4 55.7 57.1 90 90 A A H ><>S+ 0 0 0 -4,-1.6 3,-0.5 -5,-0.3 5,-0.5 0.955 111.8 44.1 -57.2 -50.3 1.0 53.0 54.8 91 91 A M H ><5S+ 0 0 24 -4,-2.5 3,-2.2 1,-0.2 4,-0.5 0.919 108.6 56.8 -59.0 -47.5 -2.4 51.3 54.7 92 92 A K H 3<5S+ 0 0 100 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.784 103.9 55.8 -55.3 -30.0 -4.2 54.5 54.2 93 93 A M T <<5S- 0 0 52 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.412 129.8 -91.0 -85.2 -2.1 -2.0 55.1 51.1 94 94 A G T < 5 + 0 0 34 -3,-2.2 2,-0.6 1,-0.2 -19,-0.4 0.893 67.5 156.1 95.4 49.4 -3.1 51.8 49.6 95 95 A A < - 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