==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 13-JUN-08 3DGF . COMPND 2 MOLECULE: RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR P.CASINO,A.MARINA . 120 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 17.5 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 . 11 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 . 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 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 2 C S 0 0 114 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 104.2 4.1 3.9 -2.0 2 3 C K - 0 0 95 1,-0.1 25,-2.5 23,-0.1 2,-0.4 -0.162 360.0-142.1 -60.9 149.4 1.2 2.4 0.1 3 4 C K E -a 27 0A 75 23,-0.2 44,-2.3 42,-0.1 45,-1.1 -0.933 10.3-159.3-117.8 136.7 0.2 4.1 3.3 4 5 C V E -ab 28 48A 0 23,-3.4 25,-3.1 -2,-0.4 2,-0.7 -0.953 10.4-145.0-119.2 130.3 -0.8 2.3 6.5 5 6 C L E -ab 29 49A 1 43,-2.7 45,-2.7 -2,-0.5 2,-0.7 -0.809 17.5-161.1 -91.6 115.2 -2.8 3.8 9.4 6 7 C L E -ab 30 50A 0 23,-3.4 25,-2.3 -2,-0.7 2,-0.7 -0.868 7.2-172.4-102.5 117.0 -1.6 2.2 12.6 7 8 C V E +ab 31 51A 6 43,-3.1 45,-2.6 -2,-0.7 2,-0.3 -0.899 27.3 138.4-112.6 106.2 -4.0 2.6 15.5 8 9 C D - 0 0 4 23,-2.0 23,-0.1 -2,-0.7 25,-0.1 -0.963 39.3-167.3-155.2 127.0 -2.4 1.4 18.7 9 10 C D S S+ 0 0 105 -2,-0.3 2,-0.9 43,-0.1 -1,-0.1 0.628 75.2 88.8 -87.9 -18.8 -2.4 2.8 22.3 10 11 C S > - 0 0 52 1,-0.2 4,-2.5 2,-0.0 5,-0.1 -0.744 62.3-165.6 -82.6 109.0 0.5 0.5 23.3 11 12 C A H > S+ 0 0 49 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.802 85.2 54.7 -66.1 -28.8 3.6 2.6 22.5 12 13 C V H > S+ 0 0 113 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.922 114.7 36.4 -72.4 -48.5 5.8 -0.5 22.7 13 14 C L H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.885 114.6 59.0 -70.3 -38.3 3.9 -2.7 20.3 14 15 C R H X S+ 0 0 31 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.921 104.5 49.3 -55.6 -48.2 3.2 0.4 18.1 15 16 C K H X S+ 0 0 162 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.869 111.9 49.8 -61.2 -37.7 7.0 1.0 17.7 16 17 C I H X S+ 0 0 74 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.938 114.0 42.9 -65.0 -48.9 7.5 -2.6 16.7 17 18 C V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 113.6 52.3 -65.9 -46.1 4.8 -2.6 14.1 18 19 C S H X S+ 0 0 5 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.933 109.3 49.7 -54.3 -51.5 5.7 0.8 12.8 19 20 C F H X S+ 0 0 121 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.950 111.3 48.3 -53.5 -50.9 9.4 -0.3 12.3 20 21 C N H X S+ 0 0 13 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.865 111.9 50.1 -63.2 -35.2 8.4 -3.5 10.5 21 22 C L H ><>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 3,-0.6 0.962 112.4 46.0 -65.2 -50.4 6.1 -1.6 8.2 22 23 C K H ><5S+ 0 0 122 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.850 106.7 59.5 -60.3 -37.2 8.7 1.1 7.3 23 24 C K H 3<5S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 103.7 52.0 -59.7 -35.0 11.3 -1.6 6.7 24 25 C E T <<5S- 0 0 69 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.423 127.5-100.3 -82.5 1.4 9.0 -3.1 4.0 25 26 C G T < 5S+ 0 0 49 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.640 75.7 139.2 88.9 18.4 8.7 0.4 2.3 26 27 C Y < - 0 0 32 -5,-2.0 2,-0.4 -6,-0.1 -1,-0.3 -0.664 53.5-123.8 -93.0 150.2 5.3 1.5 3.6 27 28 C E E -a 3 0A 76 -25,-2.5 -23,-3.4 -2,-0.3 2,-0.5 -0.779 29.9-149.2 -84.7 135.7 4.4 5.0 4.8 28 29 C V E -a 4 0A 28 -2,-0.4 2,-0.6 -25,-0.2 -23,-0.2 -0.935 15.9-172.0-116.1 122.6 3.0 4.8 8.4 29 30 C I E -a 5 0A 37 -25,-3.1 -23,-3.4 -2,-0.5 2,-0.3 -0.955 20.4-151.7-109.0 122.4 0.4 7.2 9.9 30 31 C E E -a 6 0A 51 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.702 18.1-179.1-100.9 148.6 0.0 6.6 13.6 31 32 C A E -a 7 0A 0 -25,-2.3 -23,-2.0 -2,-0.3 3,-0.0 -0.974 17.9-155.0-143.7 125.3 -3.0 7.2 15.9 32 33 C E S S+ 0 0 75 -2,-0.4 2,-0.3 -25,-0.2 -25,-0.1 0.664 77.9 6.3 -75.5 -18.2 -2.9 6.6 19.6 33 34 C N S > S- 0 0 57 -25,-0.1 4,-2.2 -24,-0.1 5,-0.1 -0.955 82.1 -93.8-157.0 171.3 -6.6 6.0 19.9 34 35 C G H > S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.830 118.8 56.1 -62.5 -34.2 -9.9 5.6 17.9 35 36 C Q H > S+ 0 0 133 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.938 110.5 44.2 -65.4 -48.3 -10.8 9.3 18.2 36 37 C I H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.878 111.6 55.3 -60.3 -41.3 -7.5 10.4 16.7 37 38 C A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.937 107.6 46.9 -60.6 -48.1 -7.8 7.7 14.0 38 39 C L H X S+ 0 0 27 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.822 110.0 55.4 -65.5 -30.7 -11.2 8.9 12.8 39 40 C E H >< S+ 0 0 111 -4,-1.5 3,-0.9 -5,-0.2 4,-0.4 0.937 109.1 45.7 -65.7 -44.6 -9.9 12.5 12.8 40 41 C K H >X S+ 0 0 79 -4,-2.2 3,-1.9 1,-0.2 4,-1.0 0.879 105.5 61.8 -66.3 -35.2 -7.1 11.6 10.5 41 42 C L H 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.711 93.0 64.6 -63.1 -20.1 -9.4 9.6 8.3 42 43 C S T << S+ 0 0 93 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.704 110.1 39.6 -74.5 -17.4 -11.4 12.8 7.6 43 44 C E T <4 S+ 0 0 180 -3,-1.9 2,-0.3 -4,-0.4 -2,-0.2 0.578 124.4 10.5-108.0 -18.8 -8.2 14.0 5.8 44 45 C F < - 0 0 47 -4,-1.0 -1,-0.2 2,-0.0 0, 0.0 -0.984 59.0-127.3-155.4 165.6 -6.9 11.0 4.0 45 46 C T - 0 0 88 -2,-0.3 -42,-0.1 -3,-0.1 -4,-0.1 -0.943 27.7-152.4-120.9 108.3 -7.6 7.5 2.8 46 47 C P - 0 0 4 0, 0.0 -42,-0.2 0, 0.0 3,-0.1 -0.336 18.9-129.9 -76.3 164.6 -5.0 4.8 3.8 47 48 C D S S+ 0 0 58 -44,-2.3 2,-0.3 1,-0.3 -43,-0.2 0.657 91.4 8.6 -82.8 -17.5 -4.4 1.6 1.8 48 49 C L E -b 4 0A 0 -45,-1.1 -43,-2.7 28,-0.1 2,-0.4 -0.982 63.8-147.8-162.0 148.7 -4.6 -0.5 5.0 49 50 C I E -bc 5 78A 0 28,-2.1 30,-2.9 -2,-0.3 2,-0.5 -0.977 4.9-163.2-125.0 136.6 -5.5 -0.1 8.6 50 51 C V E -bc 6 79A 0 -45,-2.7 -43,-3.1 -2,-0.4 2,-0.5 -0.981 13.4-172.0-119.7 115.5 -4.0 -2.0 11.5 51 52 C L E -bc 7 80A 4 28,-2.9 30,-2.4 -2,-0.5 2,-0.5 -0.943 15.3-148.6-117.5 119.4 -6.1 -1.8 14.6 52 53 C D E - c 0 81A 22 -45,-2.6 30,-0.1 -2,-0.5 -43,-0.1 -0.730 15.5-179.7 -82.6 124.4 -4.9 -3.1 18.0 53 54 C I + 0 0 5 28,-2.4 30,-0.2 -2,-0.5 2,-0.1 -0.133 19.6 153.0-117.8 38.7 -7.9 -4.4 20.0 54 55 C M - 0 0 79 28,-0.1 6,-0.1 2,-0.1 28,-0.1 -0.462 54.5 -64.4 -68.3 137.3 -6.3 -5.5 23.2 55 56 C M S S+ 0 0 86 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.425 126.6 52.4 -66.0 139.7 -8.6 -5.4 26.2 56 57 C P S S- 0 0 97 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.463 81.4-165.8 -69.0 135.5 -9.8 -3.0 27.4 57 58 C V > + 0 0 26 1,-0.2 3,-2.4 -2,-0.1 -2,-0.1 0.688 15.3 179.5 -67.3 -19.9 -10.8 -2.5 23.8 58 59 C M T 3 - 0 0 140 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 -0.342 69.5 -18.2 53.5-121.3 -11.8 1.1 24.5 59 60 C D T 3> S+ 0 0 46 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 0.138 102.9 112.4-103.3 18.9 -13.0 2.6 21.2 60 61 C G H <> S+ 0 0 2 -3,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.873 82.6 44.5 -54.4 -39.4 -11.5 -0.0 18.9 61 62 C F H > S+ 0 0 30 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.835 105.1 61.0 -80.0 -33.5 -14.9 -1.4 17.9 62 63 C T H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 108.6 45.4 -57.4 -39.3 -16.3 2.1 17.4 63 64 C V H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.936 111.5 50.2 -69.8 -48.5 -13.7 2.6 14.7 64 65 C L H X S+ 0 0 1 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.876 113.3 47.9 -59.3 -36.1 -14.3 -0.8 13.1 65 66 C K H X S+ 0 0 107 -4,-2.6 4,-1.2 2,-0.2 3,-0.2 0.917 109.7 50.8 -70.0 -43.9 -18.0 -0.1 13.0 66 67 C K H X S+ 0 0 90 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.828 105.6 56.9 -64.8 -33.3 -17.7 3.4 11.5 67 68 C L H < S+ 0 0 3 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.864 107.0 50.0 -63.8 -37.5 -15.4 2.1 8.7 68 69 C Q H < S+ 0 0 79 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.779 107.3 54.6 -70.5 -27.2 -18.2 -0.3 7.7 69 70 C E H < S+ 0 0 157 -4,-1.2 2,-0.5 -3,-0.1 -1,-0.2 0.693 95.6 75.2 -82.0 -20.3 -20.8 2.4 7.6 70 71 C K >X - 0 0 79 -4,-0.9 4,-2.6 -3,-0.3 3,-1.0 -0.845 69.1-147.5-102.5 127.7 -19.0 4.7 5.2 71 72 C E T 34 S+ 0 0 101 -2,-0.5 4,-0.3 1,-0.2 -1,-0.1 0.833 100.8 53.3 -55.5 -36.7 -18.8 3.9 1.5 72 73 C E T 34 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.1 -5,-0.1 0.740 119.8 32.0 -73.0 -21.5 -15.4 5.5 1.3 73 74 C W T X4 S+ 0 0 20 -3,-1.0 3,-2.0 -6,-0.2 -2,-0.2 0.678 94.0 82.9-109.6 -26.1 -13.9 3.4 4.1 74 75 C K T 3< S+ 0 0 94 -4,-2.6 -3,-0.1 1,-0.3 -2,-0.1 0.649 93.5 53.0 -60.0 -15.4 -15.7 0.1 4.0 75 76 C R T 3 S+ 0 0 153 -4,-0.3 -1,-0.3 -8,-0.1 -2,-0.1 0.514 79.7 108.0 -98.2 -6.8 -13.3 -1.1 1.3 76 77 C I S < S- 0 0 13 -3,-2.0 -28,-0.1 -9,-0.2 -29,-0.1 -0.584 76.4-119.7 -72.6 121.6 -10.1 -0.3 3.2 77 78 C P - 0 0 19 0, 0.0 -28,-2.1 0, 0.0 2,-0.4 -0.357 32.1-158.4 -60.6 144.8 -8.5 -3.7 4.3 78 79 C V E -c 49 0A 5 -30,-0.2 22,-0.8 -28,-0.0 21,-0.5 -0.991 15.2-166.0-133.8 135.3 -8.1 -4.0 8.0 79 80 C I E -cd 50 100A 0 -30,-2.9 -28,-2.9 -2,-0.4 2,-0.5 -0.977 12.9-157.0-116.0 128.1 -5.9 -6.1 10.2 80 81 C V E -cd 51 101A 0 20,-2.5 22,-2.4 -2,-0.5 2,-0.7 -0.887 11.3-139.6-105.3 134.7 -6.8 -6.4 13.9 81 82 C L E -cd 52 102A 0 -30,-2.4 -28,-2.4 -2,-0.5 22,-0.2 -0.830 31.3-167.5 -94.2 116.4 -4.2 -7.3 16.5 82 83 C T E - d 0 103A 3 20,-0.9 22,-0.5 -2,-0.7 2,-0.3 -0.554 10.6-156.3-106.7 164.0 -5.9 -9.7 18.9 83 84 C A > - 0 0 18 -30,-0.2 3,-1.4 -2,-0.2 2,-0.1 -0.855 35.5 -78.3-133.6 169.0 -5.0 -11.2 22.4 84 85 C K T 3 S+ 0 0 164 20,-0.3 -1,-0.0 -2,-0.3 0, 0.0 -0.463 117.1 26.5 -68.7 137.5 -5.9 -14.2 24.5 85 86 C G T 3 S+ 0 0 36 -2,-0.1 3,-0.4 1,-0.0 -1,-0.2 0.214 97.2 94.4 93.2 -14.6 -9.3 -13.9 26.2 86 87 C G <> + 0 0 6 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.055 42.4 121.0 -91.2 23.1 -10.5 -11.6 23.5 87 88 C E H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.866 74.1 53.9 -55.1 -38.7 -12.0 -14.5 21.6 88 89 C E H > S+ 0 0 159 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.954 111.9 43.1 -53.5 -55.8 -15.3 -12.7 21.9 89 90 C D H > S+ 0 0 21 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.802 111.2 55.3 -66.1 -33.6 -13.9 -9.6 20.3 90 91 C E H X S+ 0 0 58 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.946 105.9 49.5 -65.6 -51.5 -12.0 -11.5 17.6 91 92 C S H X S+ 0 0 80 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.910 114.6 49.1 -53.5 -42.6 -15.2 -13.3 16.4 92 93 C L H >X S+ 0 0 66 -4,-1.8 4,-4.9 2,-0.2 3,-2.4 0.982 107.2 51.1 -56.7 -64.1 -16.7 -9.9 16.3 93 94 C A H 3<>S+ 0 0 0 -4,-3.3 5,-1.7 1,-0.3 -2,-0.2 0.855 115.0 44.6 -45.5 -41.0 -13.8 -8.2 14.3 94 95 C L H 3<5S+ 0 0 79 -4,-2.5 -1,-0.3 3,-0.2 -2,-0.2 0.670 120.5 41.3 -76.3 -16.8 -14.1 -11.0 11.8 95 96 C S H <<5S+ 0 0 99 -3,-2.4 2,-0.7 -4,-0.7 -2,-0.3 0.487 100.9 65.3-115.3 -15.1 -17.9 -10.6 11.9 96 97 C L T <5S- 0 0 25 -4,-4.9 -1,-0.2 -5,-0.1 -4,-0.1 -0.560 127.7-108.3 -79.2 64.4 -17.7 -6.7 12.0 97 98 C G T 5 + 0 0 34 -2,-0.7 2,-0.2 -3,-0.1 -3,-0.2 0.615 66.6 148.5 -12.0 81.9 -16.3 -7.9 8.4 98 99 C A < - 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