==== 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 TRANSCRIPTION 16-AUG-07 2QZJ . COMPND 2 MOLECULE: TWO-COMPONENT RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR R.SUGADEV,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 726 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.2 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 . 6 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 . 45 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 2 7 6 3 4 2 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 16 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 PARALLEL BRIDGES PER LADDER . 2 4 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 . 4 0 0 6 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 4 A Q 0 0 185 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 130.2 28.0 33.2 62.7 2 5 A T - 0 0 34 23,-0.2 25,-2.4 44,-0.1 2,-0.4 -0.281 360.0-159.0 -59.5 140.7 24.4 32.6 63.7 3 6 A K E -a 27 0A 55 23,-0.2 44,-3.3 25,-0.0 45,-1.0 -0.986 10.1-176.9-128.5 122.8 22.1 31.8 60.8 4 7 A I E -ab 28 48A 0 23,-2.3 25,-2.4 -2,-0.4 2,-0.4 -0.941 13.8-149.6-122.7 142.8 18.3 32.3 61.0 5 8 A L E -ab 29 49A 0 43,-1.9 45,-2.8 -2,-0.4 2,-0.5 -0.918 7.6-159.0-110.1 135.7 15.6 31.5 58.5 6 9 A I E -ab 30 50A 0 23,-2.1 25,-0.8 -2,-0.4 2,-0.7 -0.958 2.6-166.4-116.8 118.9 12.3 33.6 58.4 7 10 A I E +ab 31 51A 0 43,-2.8 45,-2.1 -2,-0.5 2,-0.3 -0.862 34.2 126.7-108.8 102.3 9.3 32.0 56.8 8 11 A D - 0 0 5 23,-2.1 23,-0.3 -2,-0.7 47,-0.1 -0.991 52.4-147.9-154.1 145.0 6.6 34.6 56.1 9 12 A G S S+ 0 0 38 45,-0.4 2,-0.9 -2,-0.3 -1,-0.1 0.778 83.6 90.4 -82.4 -28.7 4.5 35.7 53.1 10 13 A D > - 0 0 65 1,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.582 59.9-172.2 -70.3 106.4 4.5 39.2 54.6 11 14 A K H > S+ 0 0 116 -2,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.731 81.2 61.1 -74.7 -22.9 7.6 40.7 52.9 12 15 A D H > S+ 0 0 130 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.935 108.9 43.1 -67.5 -43.6 7.4 43.8 55.0 13 16 A N H > S+ 0 0 11 2,-0.2 4,-3.4 1,-0.2 5,-0.4 0.962 113.1 52.0 -63.8 -52.1 7.7 41.7 58.1 14 17 A C H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.880 113.2 47.1 -49.9 -41.7 10.5 39.7 56.5 15 18 A Q H X S+ 0 0 96 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.932 115.3 40.9 -70.5 -48.5 12.2 42.9 55.6 16 19 A K H X S+ 0 0 117 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.972 118.2 49.5 -64.4 -48.5 12.0 44.6 59.0 17 20 A L H X S+ 0 0 0 -4,-3.4 4,-1.9 -5,-0.2 5,-0.2 0.886 112.8 47.0 -55.3 -44.5 12.8 41.3 60.8 18 21 A K H X S+ 0 0 57 -4,-2.2 4,-2.5 -5,-0.4 5,-0.2 0.981 112.7 47.5 -62.7 -58.1 15.8 40.7 58.5 19 22 A G H X S+ 0 0 33 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.869 112.7 49.9 -51.6 -44.2 17.3 44.2 58.8 20 23 A F H < S+ 0 0 36 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.915 116.2 38.7 -64.1 -47.0 16.9 44.2 62.6 21 24 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.0 -5,-0.2 3,-0.7 0.759 110.5 61.6 -75.2 -24.8 18.5 40.8 63.3 22 25 A E H ><5S+ 0 0 90 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.856 100.7 55.1 -67.5 -31.9 21.1 41.6 60.6 23 26 A E T 3<5S+ 0 0 138 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.638 100.9 58.7 -74.6 -14.4 22.0 44.5 62.8 24 27 A K T < 5S- 0 0 75 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.339 127.2 -96.4 -96.6 6.9 22.6 42.1 65.7 25 28 A G T < 5S+ 0 0 43 -3,-1.2 2,-0.4 1,-0.3 -3,-0.2 0.434 81.7 134.8 96.7 -0.2 25.2 40.2 63.7 26 29 A I < - 0 0 10 -5,-2.0 2,-0.5 -8,-0.1 -1,-0.3 -0.679 53.2-133.9 -89.1 134.5 22.9 37.5 62.5 27 30 A S E -a 3 0A 36 -25,-2.4 -23,-2.3 -2,-0.4 2,-0.5 -0.740 30.0-155.2 -84.1 126.4 23.0 36.2 58.9 28 31 A I E -a 4 0A 10 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.919 16.4-169.8-119.0 128.8 19.4 36.0 57.7 29 32 A D E -a 5 0A 39 -25,-2.4 -23,-2.1 -2,-0.5 2,-0.2 -0.782 15.8-149.9-105.3 150.6 17.7 33.9 54.9 30 33 A L E -a 6 0A 24 -2,-0.3 2,-0.2 -25,-0.2 -23,-0.2 -0.664 15.7-179.5-116.5 172.9 14.1 34.5 53.8 31 34 A A E -a 7 0A 0 -25,-0.8 -23,-2.1 -23,-0.3 3,-0.1 -0.809 15.8-160.5-172.0 127.1 11.3 32.4 52.3 32 35 A Y S S+ 0 0 61 -2,-0.2 24,-0.5 -25,-0.2 2,-0.3 0.504 75.6 8.3 -95.0 -3.8 7.8 33.5 51.3 33 36 A N S > S- 0 0 27 1,-0.1 4,-2.4 22,-0.1 5,-0.1 -0.984 84.0 -88.6-166.6 166.5 6.2 30.1 51.4 34 37 A C H > S+ 0 0 12 -2,-0.3 4,-2.9 1,-0.2 3,-0.4 0.929 121.7 51.4 -46.5 -60.3 6.6 26.4 52.4 35 38 A E H > S+ 0 0 146 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.902 113.0 44.8 -45.8 -53.3 8.0 25.4 49.1 36 39 A E H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.829 113.7 53.8 -60.6 -33.6 10.6 28.2 49.2 37 40 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -3,-0.4 -2,-0.2 0.926 102.8 53.0 -68.2 -48.5 11.2 27.2 52.8 38 41 A I H X S+ 0 0 37 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.828 107.3 55.0 -58.1 -33.5 11.9 23.5 52.3 39 42 A G H X S+ 0 0 31 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.2 0.967 108.8 45.3 -63.5 -52.4 14.5 24.5 49.7 40 43 A K H X S+ 0 0 63 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.844 113.5 52.2 -57.0 -37.8 16.4 26.7 52.2 41 44 A I H < S+ 0 0 8 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.860 110.2 46.3 -68.2 -39.9 16.0 23.9 54.8 42 45 A F H < S+ 0 0 147 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.797 119.7 43.3 -71.8 -28.7 17.5 21.3 52.4 43 46 A S H < S+ 0 0 89 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.615 116.0 30.8 -94.9 -16.8 20.3 23.7 51.6 44 47 A N < - 0 0 60 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.0 -0.923 63.1-126.0-142.6 166.6 21.3 25.2 54.9 45 48 A K - 0 0 195 -2,-0.3 2,-0.3 -41,-0.0 -3,-0.0 -0.950 31.7-164.0-112.6 131.1 21.7 24.7 58.6 46 49 A Y - 0 0 20 -2,-0.5 -42,-0.2 1,-0.1 3,-0.1 -0.826 26.4-152.0-117.1 157.3 19.9 27.2 60.9 47 50 A D S S+ 0 0 51 -44,-3.3 2,-0.3 1,-0.4 -43,-0.2 0.741 88.6 5.4 -92.7 -28.6 20.2 28.1 64.5 48 51 A L E -b 4 0A 0 -45,-1.0 -43,-1.9 25,-0.1 2,-0.4 -0.988 63.5-153.3-156.2 146.2 16.7 29.3 64.7 49 52 A I E -bc 5 75A 0 25,-2.3 27,-3.6 -2,-0.3 2,-0.5 -0.993 5.1-155.4-128.0 126.6 13.6 29.4 62.4 50 53 A F E -bc 6 76A 2 -45,-2.8 -43,-2.8 -2,-0.4 2,-0.4 -0.878 21.2-173.2 -98.5 131.6 10.8 31.9 62.6 51 54 A L E -bc 7 77A 0 25,-2.4 27,-2.0 -2,-0.5 -43,-0.2 -0.987 17.1-146.8-135.3 126.3 7.6 30.5 61.0 52 55 A E E - c 0 78A 17 -45,-2.1 27,-0.2 -2,-0.4 3,-0.1 -0.485 17.9-133.2 -83.2 158.4 4.2 32.1 60.3 53 56 A I S S+ 0 0 2 25,-0.7 7,-3.2 1,-0.1 2,-0.5 0.898 87.9 52.7 -80.8 -43.3 1.1 29.9 60.6 54 57 A I E +E 59 0B 115 5,-0.2 -45,-0.4 6,-0.1 2,-0.3 -0.854 65.7 171.1-102.3 126.9 -0.7 30.9 57.3 55 58 A L E > -E 58 0B 13 3,-1.7 3,-1.5 -2,-0.5 -22,-0.1 -0.940 44.8-113.7-130.1 151.0 1.2 30.6 54.1 56 59 A S T 3 S+ 0 0 110 -24,-0.5 -23,-0.1 -2,-0.3 3,-0.1 0.712 116.5 31.3 -57.8 -20.4 0.1 30.9 50.4 57 60 A D T 3 S- 0 0 68 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.123 131.4 -24.2-128.1 25.1 0.9 27.2 49.8 58 61 A G E < S-E 55 0B 34 -3,-1.5 -3,-1.7 -24,-0.1 -1,-0.2 -0.926 73.0 -78.8 156.7-177.9 0.3 25.4 53.2 59 62 A D E > -E 54 0B 44 -2,-0.3 4,-2.0 -5,-0.2 -5,-0.2 -0.694 30.7-117.6-111.6 167.7 0.1 26.1 56.9 60 63 A G H > S+ 0 0 0 -7,-3.2 4,-1.6 -2,-0.2 -7,-0.1 0.739 109.8 60.2 -74.9 -23.6 2.8 26.4 59.5 61 64 A W H > S+ 0 0 72 -8,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.923 110.8 39.8 -69.2 -45.5 1.7 23.4 61.5 62 65 A T H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.941 115.7 50.7 -68.3 -48.0 2.3 21.1 58.6 63 66 A L H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.821 107.0 56.9 -59.2 -33.2 5.5 22.8 57.5 64 67 A C H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 3,-0.3 0.995 106.6 47.0 -61.4 -60.5 6.7 22.5 61.0 65 68 A K H X S+ 0 0 105 -4,-1.9 4,-0.5 1,-0.3 -2,-0.2 0.885 113.8 49.7 -46.6 -45.0 6.3 18.7 61.1 66 69 A K H >< S+ 0 0 104 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.900 107.2 52.9 -64.0 -42.2 8.0 18.6 57.7 67 70 A I H >X S+ 0 0 5 -4,-2.6 4,-3.1 -3,-0.3 3,-2.1 0.882 102.2 60.7 -60.7 -38.4 11.0 20.7 58.8 68 71 A R H 3< S+ 0 0 48 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.688 90.6 68.4 -62.8 -19.4 11.4 18.4 61.7 69 72 A N T << S+ 0 0 143 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.658 117.1 24.8 -72.3 -14.9 12.0 15.6 59.2 70 73 A V T <4 S+ 0 0 72 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.721 130.7 14.8-118.1 -37.0 15.3 17.4 58.4 71 74 A T < - 0 0 38 -4,-3.1 -1,-0.3 2,-0.1 -30,-0.0 -0.996 40.3-155.5-146.4 147.8 16.2 19.5 61.5 72 75 A T + 0 0 93 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.184 51.8 144.0-101.8 13.8 15.4 19.8 65.2 73 76 A C - 0 0 9 -6,-0.2 -25,-0.1 1,-0.1 -26,-0.1 -0.195 65.4 -83.8 -51.5 140.3 16.6 23.4 65.0 74 77 A P - 0 0 4 0, 0.0 -25,-2.3 0, 0.0 2,-0.5 -0.186 47.6-157.1 -52.1 136.4 14.5 25.7 67.3 75 78 A I E -c 49 0A 0 19,-0.2 21,-2.4 -27,-0.2 22,-1.5 -0.975 10.1-171.6-123.6 129.2 11.3 26.9 65.7 76 79 A V E -cd 50 97A 5 -27,-3.6 -25,-2.4 -2,-0.5 22,-0.2 -0.961 15.5-141.4-124.4 115.4 9.4 30.1 66.6 77 80 A Y E -cd 51 98A 0 20,-2.0 22,-3.2 -2,-0.5 2,-0.4 -0.449 10.4-163.0 -74.0 141.3 6.0 30.9 65.2 78 81 A X E +cd 52 99A 0 -27,-2.0 -25,-0.7 -71,-0.2 2,-0.3 -0.990 30.3 132.1-123.5 132.9 5.0 34.4 64.3 79 82 A T E - d 0 100A 1 20,-1.4 22,-1.7 -2,-0.4 -27,-0.0 -0.945 61.3-128.4-177.6 152.2 1.3 35.2 63.8 80 83 A Y S S+ 0 0 152 -2,-0.3 2,-0.7 20,-0.2 -1,-0.1 0.670 81.9 104.5 -80.0 -16.5 -1.7 37.4 64.5 81 84 A I + 0 0 50 1,-0.1 2,-0.6 -3,-0.1 -28,-0.0 -0.537 46.5 177.6 -70.9 110.1 -3.6 34.3 65.6 82 85 A N + 0 0 96 -2,-0.7 2,-0.3 18,-0.1 -1,-0.1 -0.700 27.5 125.9-116.6 80.7 -3.8 34.3 69.3 83 86 A E > - 0 0 119 -2,-0.6 4,-1.9 1,-0.1 3,-0.4 -0.993 62.0-125.7-136.3 141.9 -5.9 31.3 70.4 84 87 A D H > S+ 0 0 64 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.864 109.4 51.6 -53.3 -41.6 -5.1 28.4 72.8 85 88 A Q H > S+ 0 0 139 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.871 108.2 50.5 -67.1 -37.0 -5.8 25.7 70.3 86 89 A S H > S+ 0 0 11 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.902 113.8 45.6 -66.3 -40.3 -3.5 27.2 67.7 87 90 A I H X S+ 0 0 12 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.917 109.5 51.7 -69.8 -46.4 -0.7 27.5 70.1 88 91 A L H X S+ 0 0 32 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.884 114.1 47.8 -58.0 -35.6 -1.0 24.0 71.7 89 92 A N H X S+ 0 0 64 -4,-1.5 4,-1.7 -5,-0.2 6,-0.2 0.934 109.9 49.4 -71.0 -47.8 -0.9 22.7 68.1 90 93 A A H <>S+ 0 0 0 -4,-2.3 5,-1.4 1,-0.2 -2,-0.2 0.920 114.2 46.8 -56.7 -47.0 2.1 24.8 67.0 91 94 A L H ><5S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.841 112.3 48.7 -65.8 -36.7 4.1 23.6 70.1 92 95 A N H 3<5S+ 0 0 82 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.739 98.0 68.1 -78.3 -21.6 3.2 19.9 69.7 93 96 A S T 3<5S- 0 0 10 -4,-1.7 -1,-0.2 -3,-0.2 -25,-0.2 0.402 137.3 -77.0 -77.5 4.1 4.1 19.9 66.0 94 97 A G T < 5S+ 0 0 8 -3,-0.9 -19,-0.2 1,-0.3 -3,-0.2 0.460 88.5 145.6 113.5 7.1 7.6 20.3 67.1 95 98 A G < - 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