==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL DIFFERENTIATION 16-MAY-01 1H4Z . COMPND 2 MOLECULE: ANTI-SIGMA F FACTOR ANTAGONIST; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SPHAERICUS; . AUTHOR P.R.SEAVERS,R.J.LEWIS,J.A.BRANNIGAN,K.H.G.VERSCHUEREN, . 109 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 82.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 7.3 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 . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 11 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 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 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 A A 0 0 73 0, 0.0 16,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 167.3 3.1 55.2 17.8 2 3 A F E -A 16 0A 45 14,-0.2 2,-0.3 2,-0.0 14,-0.2 -0.978 360.0-156.2-163.6 160.4 5.4 57.5 15.8 3 4 A Q E -A 15 0A 114 12,-1.5 12,-2.2 -2,-0.3 2,-0.4 -0.975 5.4-154.8-144.1 152.3 5.8 59.3 12.5 4 5 A L E +A 14 0A 52 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.971 15.0 175.1-125.9 138.6 8.7 60.6 10.5 5 6 A E E -A 13 0A 84 8,-1.5 8,-0.7 -2,-0.4 -2,-0.0 -0.633 31.7-135.8-155.5 100.7 8.5 63.3 8.1 6 7 A M E +A 12 0A 98 -2,-0.2 6,-0.2 6,-0.2 3,-0.1 -0.148 35.7 169.6 -38.2 118.5 11.3 65.0 6.2 7 8 A V E + 0 0 31 4,-2.8 2,-0.2 1,-0.4 -1,-0.2 0.509 54.2 5.2-124.3 4.0 10.2 68.6 6.8 8 9 A T E > S-A 11 0A 61 3,-1.0 3,-6.2 0, 0.0 -1,-0.4 -0.808 104.4 -47.8 176.7 139.1 13.1 70.7 5.5 9 10 A R T 3 S- 0 0 211 1,-0.3 33,-0.1 -2,-0.2 3,-0.1 0.272 127.1 -19.8 -14.3 101.0 16.5 70.4 3.8 10 11 A E T 3 S+ 0 0 85 30,-0.2 32,-2.4 1,-0.2 33,-1.3 0.603 111.2 124.6 65.3 10.6 18.0 67.6 5.8 11 12 A T E < -Ab 8 43A 3 -3,-6.2 -4,-2.8 30,-0.2 -3,-1.0 -0.899 38.8-169.7-111.5 131.0 15.7 68.1 8.7 12 13 A V E -Ab 6 44A 5 31,-2.9 33,-2.4 -2,-0.5 2,-0.5 -0.944 11.1-150.8-121.6 135.8 13.5 65.3 10.1 13 14 A V E -Ab 5 45A 0 -8,-0.7 -8,-1.5 -2,-0.4 2,-0.7 -0.905 4.8-164.8-101.9 125.3 10.7 65.4 12.6 14 15 A I E -Ab 4 46A 0 31,-2.5 33,-2.4 -2,-0.5 2,-0.6 -0.897 9.6-162.7-105.0 102.3 10.1 62.4 14.8 15 16 A R E -Ab 3 47A 53 -12,-2.2 -12,-1.5 -2,-0.7 2,-0.4 -0.772 3.6-162.7 -84.7 127.0 6.6 62.7 16.3 16 17 A L E +A 2 0A 2 31,-2.3 34,-0.8 -2,-0.6 2,-0.4 -0.908 13.1 175.2-107.6 138.7 6.2 60.4 19.3 17 18 A F E - b 0 50A 124 -16,-2.2 2,-0.4 -2,-0.4 34,-0.3 -0.967 47.0 -22.6-149.3 127.1 2.7 59.7 20.4 18 19 A G E S- b 0 51A 17 32,-2.6 34,-3.0 -2,-0.4 35,-1.6 -0.618 113.9 -4.1 81.8-130.8 1.3 57.5 23.1 19 20 A E E - b 0 53A 141 -2,-0.4 2,-0.8 33,-0.2 35,-0.2 -0.888 60.6-153.9-104.6 125.8 3.4 54.5 24.2 20 21 A L E - b 0 54A 1 33,-2.7 35,-1.0 -2,-0.5 38,-0.1 -0.862 17.3-152.9-101.9 108.0 6.6 53.8 22.4 21 22 A D >> - 0 0 87 -2,-0.8 4,-2.0 33,-0.1 3,-0.9 -0.318 29.2-108.3 -76.3 160.8 7.4 50.1 22.7 22 23 A H H 3> S+ 0 0 100 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.824 122.1 58.0 -54.2 -31.7 10.9 48.6 22.5 23 24 A H H 3> S+ 0 0 114 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.846 104.3 49.1 -69.6 -33.4 10.0 47.4 19.1 24 25 A A H <> S+ 0 0 8 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.882 102.9 59.1 -74.1 -38.9 9.2 50.9 17.8 25 26 A V H X S+ 0 0 8 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.919 106.9 52.2 -52.8 -40.6 12.5 52.3 19.1 26 27 A E H X S+ 0 0 99 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.928 106.8 48.5 -63.3 -48.1 13.9 49.6 16.8 27 28 A Q H X S+ 0 0 94 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.909 115.7 47.4 -58.1 -42.5 11.9 50.7 13.7 28 29 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.4 0.937 107.1 53.4 -64.8 -49.2 13.0 54.2 14.4 29 30 A R H X S+ 0 0 137 -4,-3.0 4,-1.0 -5,-0.2 5,-0.2 0.792 109.2 54.0 -57.8 -28.9 16.7 53.5 14.9 30 31 A A H X S+ 0 0 56 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.983 111.9 38.0 -70.9 -54.5 16.6 51.7 11.6 31 32 A K H X S+ 0 0 124 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.869 120.4 42.9 -69.2 -41.9 15.3 54.5 9.4 32 33 A I H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.926 111.9 51.3 -72.7 -50.3 17.0 57.5 11.0 33 34 A S H X S+ 0 0 17 -4,-1.0 4,-2.5 -5,-0.4 5,-0.2 0.905 113.1 48.7 -54.8 -36.9 20.5 55.9 11.4 34 35 A T H X S+ 0 0 62 -4,-1.6 4,-2.6 -5,-0.2 5,-0.3 0.981 110.1 50.5 -64.1 -51.5 20.2 55.0 7.8 35 36 A A H X>S+ 0 0 14 -4,-2.2 5,-2.4 1,-0.2 6,-1.4 0.828 111.9 47.5 -54.8 -39.0 19.2 58.5 6.8 36 37 A I H ><5S+ 0 0 10 -4,-2.9 3,-1.2 2,-0.2 -1,-0.2 0.962 112.9 47.0 -69.2 -50.1 22.1 60.0 8.8 37 38 A F H 3<5S+ 0 0 182 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.780 113.5 51.0 -61.6 -27.0 24.6 57.6 7.3 38 39 A Q H 3<5S- 0 0 134 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.619 113.0-122.3 -85.5 -12.2 23.1 58.3 3.9 39 40 A G T <<5S+ 0 0 41 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.659 81.9 118.3 80.7 14.3 23.4 62.1 4.5 40 41 A A S + 0 0 7 31,-2.2 3,-2.0 -2,-0.9 32,-0.2 0.543 42.8 104.6 -92.5 -14.8 8.0 64.5 22.7 49 50 A E E 3 S+ 0 0 97 30,-0.9 -1,-0.1 1,-0.3 -32,-0.1 0.688 82.6 35.5 -29.1 -46.9 4.8 66.2 23.5 50 51 A R E 3 S+b 17 0A 157 -34,-0.8 -32,-2.6 -3,-0.2 2,-0.3 0.129 90.2 117.4 -97.4 -2.3 2.1 63.6 23.0 51 52 A L E < -b 18 0A 30 -3,-2.0 -32,-0.2 -34,-0.3 3,-0.1 -0.651 38.2-179.5 -78.6 135.6 4.3 60.8 24.4 52 53 A S E - 0 0 87 -34,-3.0 2,-0.3 -2,-0.3 -33,-0.2 0.705 67.2 -12.1-103.1 -23.1 3.0 59.2 27.5 53 54 A F E -b 19 0A 117 -35,-1.6 -33,-2.7 2,-0.0 -1,-0.3 -0.854 48.6-175.5-178.2 133.4 5.8 56.8 28.0 54 55 A M E -b 20 0A 21 -2,-0.3 -33,-0.1 -35,-0.2 2,-0.1 -0.929 32.0-119.5-126.4 153.5 8.8 55.2 26.4 55 56 A D > - 0 0 46 -35,-1.0 3,-2.2 -2,-0.3 4,-0.5 -0.371 46.3 -83.5 -83.7 177.3 10.9 52.4 27.9 56 57 A S T >> S+ 0 0 97 1,-0.3 3,-1.2 2,-0.2 4,-1.1 0.755 122.5 70.9 -52.1 -30.8 14.6 53.0 28.6 57 58 A S H 3> S+ 0 0 31 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.693 88.0 65.0 -64.6 -17.0 15.7 52.1 25.0 58 59 A G H <> S+ 0 0 0 -3,-2.2 4,-2.6 2,-0.2 -1,-0.3 0.872 97.4 55.8 -68.8 -34.5 14.1 55.4 23.9 59 60 A V H <> S+ 0 0 41 -3,-1.2 4,-2.2 -4,-0.5 -2,-0.2 0.912 112.5 40.3 -65.2 -43.7 16.7 57.2 25.9 60 61 A G H X S+ 0 0 37 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.831 108.4 63.1 -72.4 -32.0 19.5 55.4 24.1 61 62 A L H X S+ 0 0 4 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.975 110.3 39.2 -55.7 -51.3 17.6 55.8 20.9 62 63 A V H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.933 116.9 47.6 -66.7 -46.3 17.9 59.5 21.2 63 64 A L H X S+ 0 0 73 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.802 108.2 57.2 -67.3 -28.5 21.5 59.6 22.5 64 65 A G H X S+ 0 0 22 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.977 106.0 47.8 -64.5 -54.0 22.7 57.3 19.8 65 66 A R H X S+ 0 0 3 -4,-1.8 4,-2.9 -5,-0.3 -1,-0.2 0.801 108.2 57.7 -57.5 -30.8 21.5 59.5 17.1 66 67 A M H X S+ 0 0 20 -4,-1.5 4,-3.5 2,-0.2 -1,-0.2 0.952 106.3 46.5 -63.4 -49.9 23.2 62.4 18.8 67 68 A R H X S+ 0 0 144 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.848 113.7 51.7 -61.6 -31.5 26.5 60.6 18.7 68 69 A E H X S+ 0 0 62 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.907 111.8 44.8 -70.7 -42.4 25.7 59.9 15.1 69 70 A L H ><>S+ 0 0 2 -4,-2.9 5,-2.5 1,-0.2 3,-1.8 0.919 100.5 68.7 -67.6 -40.6 24.9 63.6 14.4 70 71 A E H ><5S+ 0 0 125 -4,-3.5 3,-1.4 1,-0.3 -1,-0.2 0.880 99.0 51.8 -46.0 -43.5 28.0 64.8 16.2 71 72 A A H 3<5S+ 0 0 92 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.717 112.1 42.6 -70.0 -24.4 30.2 63.3 13.5 72 73 A V T <<5S- 0 0 71 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.141 116.1-113.1-104.0 16.3 28.4 65.0 10.6 73 74 A A T < 5 + 0 0 88 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.799 69.7 150.7 55.4 31.7 28.2 68.2 12.6 74 75 A G < - 0 0 16 -5,-2.5 2,-0.3 -6,-0.2 -31,-0.2 -0.105 35.0-129.6 -81.0-176.6 24.5 67.7 12.6 75 76 A R E -c 43 0A 120 -33,-2.2 -31,-2.1 -3,-0.1 2,-0.4 -0.991 8.7-149.7-145.3 151.4 22.1 68.8 15.4 76 77 A T E -c 44 0A 13 -2,-0.3 19,-1.6 -33,-0.2 2,-0.4 -0.936 5.7-168.9-119.8 140.9 19.4 67.6 17.7 77 78 A I E -cd 45 95A 10 -33,-2.7 -31,-3.2 -2,-0.4 2,-0.7 -0.997 11.2-153.0-127.4 130.2 16.4 69.4 19.2 78 79 A L E -cd 46 96A 0 17,-4.2 19,-1.6 -2,-0.4 2,-0.7 -0.911 20.1-159.7-101.3 115.9 14.3 68.0 21.9 79 80 A L E -c 47 0A 0 -33,-2.9 -31,-2.2 -2,-0.7 -30,-0.9 -0.837 62.2 -11.2-109.0 111.4 10.9 69.6 21.6 80 81 A N S S- 0 0 20 -2,-0.7 -1,-0.2 17,-0.3 2,-0.1 0.905 76.9-177.1 73.0 39.0 8.4 69.6 24.4 81 82 A P - 0 0 11 0, 0.0 -1,-0.2 0, 0.0 -32,-0.1 -0.404 19.6-133.6 -60.0 137.8 10.2 67.2 26.8 82 83 A S > - 0 0 66 -2,-0.1 4,-1.6 -34,-0.1 5,-0.2 0.128 40.8 -77.4 -74.8-150.1 8.3 66.5 30.0 83 84 A P H > S+ 0 0 89 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.997 126.3 40.3 -82.7 -62.5 10.1 66.6 33.4 84 85 A T H > S+ 0 0 83 1,-0.2 4,-6.2 2,-0.2 5,-0.4 0.958 115.5 55.7 -48.1 -59.5 12.0 63.4 33.6 85 86 A M H > S+ 0 0 16 1,-0.3 4,-2.2 2,-0.3 5,-0.3 0.877 110.8 41.2 -41.7 -58.3 13.0 63.7 29.9 86 87 A R H X S+ 0 0 73 -4,-1.6 4,-3.2 2,-0.2 -1,-0.3 0.926 120.9 44.6 -64.3 -37.5 14.5 67.1 30.2 87 88 A K H X S+ 0 0 130 -4,-3.1 4,-1.5 1,-0.2 -2,-0.3 0.959 110.6 54.9 -63.6 -47.1 16.1 66.0 33.5 88 89 A V H < S+ 0 0 57 -4,-6.2 -1,-0.2 -5,-0.3 -2,-0.2 0.839 117.3 36.9 -53.8 -32.5 17.2 62.7 32.0 89 90 A F H < S+ 0 0 13 -4,-2.2 -2,-0.2 -5,-0.4 -1,-0.2 0.905 110.8 57.0 -92.1 -44.5 18.9 64.6 29.2 90 91 A Q H < 0 0 153 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.984 360.0 360.0 -47.4 -70.5 20.3 67.6 31.1 91 92 A F < 0 0 181 -4,-1.5 -4,-0.0 -5,-0.2 -3,-0.0 0.365 360.0 360.0-101.3 360.0 22.2 65.3 33.5 92 ! 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 93 96 A G 0 0 101 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 143.9 23.3 67.9 25.8 94 97 A P - 0 0 17 0, 0.0 2,-0.5 0, 0.0 -17,-0.2 -0.085 360.0 -85.9 -84.6-174.8 20.8 68.8 23.1 95 98 A W E -d 77 0A 160 -19,-1.6 -17,-4.2 2,-0.0 2,-0.5 -0.865 39.7-167.1 -98.0 124.4 18.6 71.8 22.4 96 99 A M E +d 78 0A 43 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.947 11.8 169.3-111.0 125.3 15.3 71.9 24.2 97 100 A M - 0 0 34 -19,-1.6 2,-1.2 -2,-0.5 -17,-0.3 -0.927 33.1-136.8-141.7 120.2 12.6 74.3 23.2 98 101 A D + 0 0 114 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.1 -0.583 64.6 106.8 -69.6 98.7 9.0 74.5 24.2 99 102 A A - 0 0 9 -2,-1.2 2,-0.1 4,-0.0 -2,-0.1 -0.926 69.3 -84.1-157.1-177.4 7.4 75.3 20.9 100 103 A T > - 0 0 69 -2,-0.3 4,-4.0 1,-0.1 5,-0.1 -0.462 43.7-107.0 -89.9 172.7 5.4 74.0 18.0 101 104 A E H > S+ 0 0 39 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.927 123.3 49.1 -66.1 -45.8 6.9 72.1 15.0 102 105 A E H > S+ 0 0 139 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.974 114.8 47.4 -57.6 -49.5 6.5 75.1 12.7 103 106 A E H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.966 111.9 48.7 -51.5 -58.4 8.1 77.1 15.5 104 107 A A H X S+ 0 0 0 -4,-4.0 4,-1.3 1,-0.2 -1,-0.2 0.883 116.4 43.6 -49.9 -43.8 10.9 74.6 15.9 105 108 A I H < S+ 0 0 38 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.907 108.2 55.2 -72.0 -45.0 11.5 74.5 12.1 106 109 A D H < S+ 0 0 102 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.946 110.0 51.3 -47.3 -49.0 11.3 78.3 11.6 107 110 A R H < 0 0 124 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.852 360.0 360.0 -59.3 -38.5 14.0 78.3 14.2 108 111 A V < 0 0 43 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.861 360.0 360.0 -69.9 360.0 16.1 75.7 12.3 109 ! 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 0.0 110 113 A G 0 0 66 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.7 17.7 80.6 10.8 111 114 A I 0 0 190 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.007 360.0 360.0 146.0 360.0 21.4 80.0 11.6