==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 12-AUG-11 3ZXN . COMPND 2 MOLECULE: ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEI . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR M.B.QUIN,J.M.BERRISFORD,J.A.NEWMAN,A.BASLE,R.J.LEWIS,J.MARLE . 232 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.9 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 0.9 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 . 15 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 2 0 1 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 3 A S 0 0 122 0, 0.0 27,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 73.0 -0.1 1.5 -20.0 2 4 A R + 0 0 141 1,-0.2 22,-0.0 22,-0.2 26,-0.0 0.878 360.0 57.7 -92.8 -58.2 -0.8 -2.1 -18.9 3 5 A V S S- 0 0 18 21,-0.2 -1,-0.2 1,-0.1 13,-0.1 -0.661 94.4-127.7 -73.7 110.5 2.7 -3.2 -17.9 4 6 A P - 0 0 86 0, 0.0 2,-0.6 0, 0.0 11,-0.5 -0.333 15.9-155.5 -63.1 137.8 3.7 -0.7 -15.2 5 7 A I E -A 14 0A 32 9,-0.1 2,-0.2 -2,-0.1 9,-0.2 -0.949 17.6-166.8-115.4 109.6 7.0 1.0 -15.7 6 8 A L E -A 13 0A 95 7,-2.8 7,-2.8 -2,-0.6 2,-0.4 -0.573 13.6-151.0 -95.4 156.8 8.4 2.2 -12.3 7 9 A K E +A 12 0A 79 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.992 16.5 177.6-126.0 124.4 11.2 4.6 -11.5 8 10 A V E > S-A 11 0A 61 3,-3.3 3,-2.4 -2,-0.4 -2,-0.0 -0.978 72.6 -20.5-129.1 122.5 13.2 4.1 -8.2 9 11 A D T 3 S- 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.891 129.1 -51.9 48.3 41.9 16.1 6.3 -7.2 10 12 A D T 3 S+ 0 0 86 1,-0.2 32,-3.1 31,-0.1 33,-0.7 0.508 115.3 119.5 72.7 6.2 16.4 7.2 -11.0 11 13 A Y E < -Ab 8 43A 11 -3,-2.4 -3,-3.3 30,-0.2 2,-0.3 -0.884 64.1-128.7-101.0 133.4 16.5 3.5 -12.1 12 14 A W E -Ab 7 44A 21 31,-2.9 33,-2.3 -2,-0.4 2,-0.4 -0.650 27.6-167.8 -75.0 135.5 13.8 2.2 -14.4 13 15 A V E +Ab 6 45A 7 -7,-2.8 -7,-2.8 -2,-0.3 2,-0.4 -0.997 10.6 170.9-132.0 127.7 12.2 -0.9 -13.0 14 16 A V E -Ab 5 46A 1 31,-2.3 33,-2.9 -2,-0.4 2,-0.5 -0.999 16.6-164.8-137.1 135.6 9.9 -3.3 -14.9 15 17 A A E - b 0 47A 35 -11,-0.5 2,-0.6 -2,-0.4 33,-0.2 -0.983 16.4-146.8-120.4 123.5 8.4 -6.7 -14.2 16 18 A I - 0 0 13 31,-3.0 34,-0.5 -2,-0.5 35,-0.3 -0.768 19.3-170.7 -91.5 120.8 7.0 -8.6 -17.1 17 19 A E - 0 0 116 -2,-0.6 2,-0.1 1,-0.1 34,-0.1 -0.518 38.8 -70.0-103.0 172.0 4.0 -10.8 -16.2 18 20 A E - 0 0 105 32,-0.2 2,-0.5 -2,-0.2 -1,-0.1 -0.410 51.0-151.9 -61.0 133.0 2.1 -13.4 -18.2 19 21 A T 0 0 45 1,-0.2 -1,-0.1 -2,-0.1 6,-0.1 -0.949 360.0 360.0-118.0 126.1 0.0 -11.8 -20.9 20 22 A L 0 0 197 -2,-0.5 -1,-0.2 2,-0.0 4,-0.1 0.825 360.0 360.0 -81.7 360.0 -3.2 -13.3 -22.3 21 ! 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 22 24 A D > 0 0 78 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -32.9 0.9 -10.7 -27.1 23 25 A Q H > + 0 0 158 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.589 360.0 67.8 -86.5 -12.6 0.4 -7.3 -28.8 24 26 A S H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -21,-0.2 0.647 92.2 59.6 -77.9 -16.4 0.7 -5.8 -25.4 25 27 A V H > S+ 0 0 15 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.851 107.0 45.6 -74.9 -39.3 4.3 -6.9 -25.4 26 28 A I H X S+ 0 0 71 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.916 113.6 50.1 -62.8 -45.3 4.7 -4.7 -28.5 27 29 A Q H X S+ 0 0 86 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.881 111.7 48.6 -60.0 -40.4 2.8 -2.0 -26.6 28 30 A F H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.943 109.6 50.1 -66.7 -49.2 5.1 -2.5 -23.6 29 31 A K H X S+ 0 0 33 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.910 111.5 50.4 -55.5 -44.2 8.3 -2.3 -25.7 30 32 A E H X S+ 0 0 113 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.919 112.7 44.5 -62.3 -46.6 7.1 0.9 -27.3 31 33 A E H X S+ 0 0 47 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.896 113.7 50.8 -65.8 -40.9 6.2 2.6 -24.1 32 34 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.960 111.3 47.4 -61.3 -49.6 9.5 1.5 -22.4 33 35 A L H X S+ 0 0 3 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.891 111.2 51.7 -61.7 -39.0 11.6 2.8 -25.3 34 36 A H H < S+ 0 0 94 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.2 0.949 112.6 46.5 -60.8 -47.0 9.7 6.1 -25.2 35 37 A N H >< S+ 0 0 43 -4,-2.7 3,-1.7 1,-0.2 4,-0.4 0.935 110.3 49.6 -60.9 -49.0 10.3 6.4 -21.5 36 38 A I H 3< S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 5,-0.2 0.645 110.7 51.2 -74.6 -11.1 14.0 5.6 -21.5 37 39 A T T 3< S+ 0 0 4 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.304 109.5 54.0-101.8 7.4 14.7 8.1 -24.3 38 40 A G S < S+ 0 0 52 -3,-1.7 2,-0.2 1,-0.4 -2,-0.1 0.644 110.4 21.3 -98.1 -99.1 12.9 11.0 -22.5 39 41 A V S S- 0 0 104 -4,-0.4 -1,-0.4 1,-0.1 0, 0.0 -0.521 92.5-109.2 -69.6 136.7 14.0 11.8 -19.0 40 42 A A - 0 0 82 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.257 39.3-174.0 -61.7 155.5 17.5 10.5 -18.3 41 43 A G - 0 0 25 -5,-0.2 -30,-0.2 -3,-0.1 3,-0.1 -0.930 32.8-123.9-145.1 165.8 17.8 7.6 -15.9 42 44 A K S S- 0 0 118 -32,-3.1 2,-0.3 -2,-0.3 -31,-0.2 0.595 80.4 -40.1 -89.5 -12.9 20.7 5.8 -14.3 43 45 A G E -b 11 0A 0 -33,-0.7 -31,-2.9 31,-0.1 2,-0.4 -0.969 53.0-104.6 167.1 177.6 19.8 2.3 -15.6 44 46 A L E -bc 12 76A 0 31,-2.4 33,-2.4 -2,-0.3 2,-0.4 -0.997 17.9-170.7-139.0 129.6 17.1 -0.2 -16.4 45 47 A V E -bc 13 77A 0 -33,-2.3 -31,-2.3 -2,-0.4 2,-0.5 -0.987 6.6-175.3-120.3 126.6 16.1 -3.5 -14.6 46 48 A I E -bc 14 78A 0 31,-2.3 33,-2.6 -2,-0.4 2,-0.5 -0.981 7.1-160.4-124.8 124.8 13.7 -5.9 -16.2 47 49 A D E +bc 15 79A 10 -33,-2.9 -31,-3.0 -2,-0.5 33,-0.2 -0.871 16.0 174.5-106.8 133.4 12.4 -9.0 -14.4 48 50 A I > + 0 0 3 31,-2.8 3,-1.7 -2,-0.5 32,-0.2 0.140 41.3 119.6-119.8 20.5 10.9 -11.9 -16.2 49 51 A S T 3 + 0 0 79 1,-0.3 -1,-0.1 30,-0.2 31,-0.1 0.770 69.2 65.6 -58.9 -27.5 10.4 -14.4 -13.3 50 52 A A T 3 S+ 0 0 30 -34,-0.5 2,-0.6 -3,-0.1 -1,-0.3 0.740 79.5 95.5 -66.6 -24.8 6.7 -14.5 -14.0 51 53 A L < - 0 0 11 -3,-1.7 3,-0.1 -35,-0.3 34,-0.1 -0.587 54.6-166.9 -78.5 114.8 7.1 -16.1 -17.4 52 54 A E S S+ 0 0 133 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.929 82.8 9.6 -64.1 -46.0 6.7 -19.9 -17.3 53 55 A V S S- 0 0 105 32,-0.0 2,-0.5 35,-0.0 -1,-0.2 -0.950 79.7-128.8-128.4 151.7 8.1 -20.2 -20.9 54 56 A V - 0 0 3 -2,-0.3 2,-0.0 -3,-0.1 -6,-0.0 -0.918 24.5-138.0-108.6 131.4 9.7 -17.4 -22.9 55 57 A D > - 0 0 64 -2,-0.5 4,-2.0 1,-0.1 5,-0.1 -0.218 21.7-117.8 -78.7 163.7 8.4 -16.8 -26.5 56 58 A E H > S+ 0 0 122 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.799 120.2 53.4 -67.0 -29.9 10.3 -16.2 -29.7 57 59 A F H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.955 108.2 45.5 -68.9 -54.4 8.4 -12.9 -29.6 58 60 A V H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 110.4 56.7 -55.8 -42.0 9.5 -11.9 -26.0 59 61 A T H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.899 106.2 48.7 -57.4 -43.6 13.0 -12.9 -26.9 60 62 A R H X S+ 0 0 136 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.894 110.0 51.9 -68.2 -38.7 13.1 -10.5 -29.8 61 63 A V H X S+ 0 0 12 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.915 110.8 48.4 -58.9 -45.4 11.7 -7.7 -27.7 62 64 A L H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.872 110.2 51.5 -64.3 -37.8 14.5 -8.4 -25.1 63 65 A I H X S+ 0 0 33 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.915 112.5 46.2 -64.7 -40.7 17.2 -8.4 -27.8 64 66 A E H X S+ 0 0 38 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.942 112.8 48.1 -68.7 -46.2 15.9 -5.0 -29.1 65 67 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.936 112.6 50.8 -57.5 -45.6 15.7 -3.4 -25.7 66 68 A S H X S+ 0 0 27 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.926 111.2 47.0 -57.4 -48.0 19.2 -4.7 -24.9 67 69 A R H X S+ 0 0 34 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.905 114.7 46.2 -62.1 -44.3 20.7 -3.3 -28.1 68 70 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 6,-0.2 0.918 108.9 54.8 -66.0 -43.2 19.0 0.1 -27.7 69 71 A A H X>S+ 0 0 1 -4,-2.9 5,-2.7 -5,-0.3 4,-0.6 0.938 108.9 49.4 -55.2 -46.1 20.1 0.3 -24.0 70 72 A E H ><5S+ 0 0 129 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.915 111.3 48.1 -59.2 -43.8 23.6 -0.3 -25.1 71 73 A L H 3<5S+ 0 0 18 -4,-1.9 151,-0.5 1,-0.2 152,-0.4 0.833 112.2 51.0 -65.4 -30.5 23.4 2.5 -27.8 72 74 A L H 3<5S- 0 0 27 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.515 111.1-121.0 -84.7 -6.1 21.8 4.8 -25.2 73 75 A G T <<5 + 0 0 63 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.770 63.9 148.0 68.6 25.2 24.6 4.2 -22.7 74 76 A L < - 0 0 19 -5,-2.7 -1,-0.2 -6,-0.2 -31,-0.1 -0.829 50.6-126.3 -97.7 112.5 22.0 2.9 -20.3 75 77 A P - 0 0 61 0, 0.0 -31,-2.4 0, 0.0 2,-0.4 -0.340 33.1-166.6 -53.2 137.8 23.1 0.2 -17.9 76 78 A F E -c 44 0A 23 -33,-0.2 24,-0.5 -10,-0.0 2,-0.4 -0.995 14.8-175.6-138.5 129.3 20.7 -2.8 -18.2 77 79 A V E -cd 45 100A 0 -33,-2.4 -31,-2.3 -2,-0.4 2,-0.4 -0.994 12.0-153.8-126.1 133.1 20.2 -5.9 -16.1 78 80 A L E -cd 46 101A 1 22,-2.1 24,-1.9 -2,-0.4 2,-0.3 -0.902 24.3-174.0-104.9 132.1 17.8 -8.8 -16.8 79 81 A T E +cd 47 102A 0 -33,-2.6 -31,-2.8 -2,-0.4 24,-0.2 -0.852 46.5 40.8-131.0 160.3 16.6 -10.7 -13.8 80 82 A G + 0 0 14 22,-1.3 2,-0.7 -2,-0.3 -1,-0.2 0.916 64.0 160.5 74.4 47.3 14.5 -13.7 -12.7 81 83 A I - 0 0 38 21,-0.4 -1,-0.2 -3,-0.2 -32,-0.1 -0.855 24.6-156.4-108.9 102.5 15.9 -16.2 -15.3 82 84 A K >> - 0 0 74 -2,-0.7 4,-2.2 1,-0.1 3,-0.7 -0.372 33.4-102.7 -73.2 155.5 15.4 -19.9 -14.4 83 85 A P H 3> S+ 0 0 110 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.852 120.2 51.8 -44.4 -48.6 17.7 -22.5 -16.0 84 86 A A H 3> S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.881 112.4 46.3 -63.1 -36.6 15.1 -23.7 -18.6 85 87 A V H <> S+ 0 0 7 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.834 106.4 57.9 -75.2 -32.6 14.5 -20.1 -19.7 86 88 A A H X S+ 0 0 29 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.899 106.9 50.7 -61.8 -39.1 18.2 -19.3 -19.9 87 89 A I H X S+ 0 0 99 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.946 112.7 44.5 -60.9 -50.9 18.5 -22.2 -22.4 88 90 A T H X S+ 0 0 33 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.936 112.0 51.0 -62.5 -50.5 15.6 -20.9 -24.6 89 91 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 -1,-0.2 0.902 112.2 47.1 -53.1 -46.4 16.7 -17.3 -24.6 90 92 A T H ><5S+ 0 0 79 -4,-1.9 3,-1.2 -5,-0.2 -1,-0.2 0.870 110.0 53.4 -65.3 -37.1 20.3 -18.2 -25.6 91 93 A E H 3<5S+ 0 0 150 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.778 107.2 52.6 -70.3 -26.0 18.9 -20.5 -28.3 92 94 A M T 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.346 130.0 -91.2 -93.5 6.1 16.9 -17.7 -29.7 93 95 A G T < 5S+ 0 0 54 -3,-1.2 2,-0.6 1,-0.3 -3,-0.2 0.432 79.0 134.6 107.1 0.5 19.9 -15.3 -30.0 94 96 A L < - 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