==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 08-SEP-97 1AUZ . COMPND 2 MOLECULE: SPOIIAA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR H.KOVACS,D.COMFORT,M.LORD,I.D.CAMPBELL,M.D.YUDKIN . 116 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 6.0 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 . 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 . 9 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 26.7 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 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 PARALLEL BRIDGES PER LADDER . 1 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 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 1 A S 0 0 150 0, 0.0 19,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 117.7 -11.2 -14.8 -0.2 2 2 A L B -A 19 0A 57 17,-0.3 17,-0.3 19,-0.0 2,-0.1 -0.822 360.0-154.3-179.1 138.6 -7.9 -12.9 -0.4 3 3 A G - 0 0 25 15,-4.2 2,-0.2 -2,-0.2 17,-0.1 -0.134 7.0-153.7-102.8-160.2 -4.3 -13.5 -1.5 4 4 A I + 0 0 83 13,-0.2 2,-0.3 12,-0.1 13,-0.2 -0.765 10.0 179.7 179.1 133.1 -1.0 -12.0 -0.5 5 5 A D - 0 0 97 -2,-0.2 11,-1.1 11,-0.1 2,-0.4 -0.996 4.6-169.2-144.2 144.2 2.4 -11.6 -2.2 6 6 A M E +B 15 0B 109 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -1.000 8.1 171.7-138.8 135.3 5.7 -10.1 -1.0 7 7 A N E -B 14 0B 88 7,-2.6 7,-4.6 -2,-0.4 2,-0.4 -0.995 19.0-145.5-143.1 145.3 8.8 -9.2 -3.0 8 8 A V E +B 13 0B 91 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.938 14.9 179.2-115.4 133.9 12.0 -7.3 -2.1 9 9 A K E > S-B 12 0B 74 3,-1.8 3,-3.1 -2,-0.4 2,-1.1 -0.904 75.2 -41.8-137.9 105.9 13.9 -5.1 -4.6 10 10 A E T 3 S- 0 0 153 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.135 131.6 -35.6 64.5 -26.6 17.0 -3.4 -3.5 11 11 A S T 3 S+ 0 0 15 -2,-1.1 33,-4.9 1,-0.3 2,-0.6 0.220 110.6 121.1 159.7 -6.1 15.0 -2.7 -0.3 12 12 A V E < -Bc 9 44B 0 -3,-3.1 -3,-1.8 31,-0.3 2,-1.0 -0.732 51.5-149.6 -85.7 120.5 11.5 -2.2 -1.7 13 13 A L E -Bc 8 45B 20 31,-6.0 33,-1.6 -2,-0.6 -5,-0.3 -0.786 12.9-154.0 -94.0 98.3 9.1 -4.7 -0.2 14 14 A C E -Bc 7 46B 4 -7,-4.6 -7,-2.6 -2,-1.0 2,-0.5 -0.545 6.5-163.7 -73.8 133.6 6.5 -5.3 -2.9 15 15 A I E -Bc 6 47B 3 31,-3.1 33,-1.4 -2,-0.3 2,-1.0 -0.879 4.5-172.1-124.4 97.1 3.1 -6.4 -1.5 16 16 A R - 0 0 130 -11,-1.1 2,-0.4 -2,-0.5 33,-0.2 -0.786 9.1-173.4 -93.1 101.1 0.9 -7.9 -4.1 17 17 A L - 0 0 8 -2,-1.0 34,-0.9 31,-0.4 33,-0.8 -0.814 4.3-175.3 -98.2 133.3 -2.5 -8.5 -2.5 18 18 A T B +f 51 0C 45 -2,-0.4 -15,-4.2 31,-0.2 2,-0.3 -0.957 51.1 34.7-133.5 114.1 -5.2 -10.3 -4.4 19 19 A G B S-A 2 0A 8 32,-1.2 34,-0.5 -2,-0.4 2,-0.3 -0.887 99.1 -13.6 155.0-118.4 -8.7 -10.7 -3.1 20 20 A E - 0 0 64 -19,-0.7 2,-0.5 -2,-0.3 32,-0.1 -0.835 43.4-141.0-120.8 158.7 -10.8 -8.3 -1.0 21 21 A L + 0 0 8 -2,-0.3 35,-2.2 4,-0.1 38,-0.5 -0.765 53.4 120.1-121.6 83.2 -9.9 -5.2 1.0 22 22 A D S >>S- 0 0 21 -2,-0.5 4,-6.2 33,-0.2 5,-0.5 -0.877 83.3 -85.1-138.0 168.7 -12.0 -5.2 4.1 23 23 A H T 45S+ 0 0 96 -2,-0.3 4,-0.2 1,-0.3 -2,-0.0 0.730 133.2 52.4 -45.7 -22.4 -11.4 -5.2 7.9 24 24 A H T >5S+ 0 0 124 2,-0.2 4,-0.5 3,-0.1 -1,-0.3 0.924 120.7 27.8 -80.1 -49.8 -11.1 -9.0 7.3 25 25 A T H >>5S+ 0 0 9 -3,-0.3 4,-0.8 1,-0.2 3,-0.6 0.798 114.8 63.6 -80.7 -31.8 -8.5 -8.8 4.5 26 26 A A H 3X5S+ 0 0 2 -4,-6.2 4,-1.0 1,-0.2 -1,-0.2 0.668 92.1 70.1 -65.4 -16.0 -7.1 -5.5 5.8 27 27 A E H >> - 0 0 88 -35,-2.2 4,-0.5 33,-0.0 3,-0.1 0.074 55.4 -67.0-100.7-147.7 -14.0 -0.4 1.3 57 57 A S T 4 S+ 0 0 87 1,-0.2 4,-0.3 2,-0.1 -35,-0.1 0.043 115.6 83.0 -96.1 24.0 -13.2 2.0 4.2 58 58 A S T > S+ 0 0 39 -37,-0.5 4,-0.6 2,-0.1 3,-0.3 0.911 103.0 23.0 -89.7 -55.6 -11.8 -1.0 6.2 59 59 A G H > S+ 0 0 1 -38,-0.5 4,-2.9 1,-0.2 5,-0.3 0.613 104.1 87.0 -85.8 -15.1 -8.3 -1.3 4.8 60 60 A L H X S+ 0 0 18 -4,-0.5 4,-1.2 1,-0.3 -1,-0.2 0.887 100.5 34.5 -49.8 -43.6 -8.3 2.3 3.7 61 61 A G H > S+ 0 0 44 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.3 0.811 112.9 59.5 -80.9 -33.4 -7.1 3.2 7.1 62 62 A V H < S+ 0 0 29 -4,-0.6 4,-0.4 1,-0.2 -2,-0.2 0.792 111.5 42.7 -64.5 -28.4 -5.0 0.1 7.5 63 63 A I H >X S+ 0 0 25 -4,-2.9 4,-1.5 2,-0.2 3,-0.5 0.810 110.9 54.3 -85.2 -34.6 -3.2 1.2 4.4 64 64 A L H 3X S+ 0 0 31 -4,-1.2 4,-1.6 -5,-0.3 -2,-0.2 0.836 100.2 62.2 -67.0 -33.7 -3.0 4.8 5.5 65 65 A G H 3< S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.801 102.6 51.4 -61.3 -30.3 -1.4 3.6 8.8 66 66 A R H X> S+ 0 0 12 -3,-0.5 4,-3.3 -4,-0.4 3,-3.0 0.919 101.7 58.8 -72.6 -46.3 1.5 2.3 6.7 67 67 A Y H 3X S+ 0 0 2 -4,-1.5 4,-1.2 1,-0.3 -2,-0.2 0.884 110.3 43.1 -49.1 -45.2 2.0 5.5 4.9 68 68 A K H 3< S+ 0 0 81 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.280 117.1 52.5 -84.8 10.2 2.6 7.2 8.2 69 69 A Q H <> S+ 0 0 32 -3,-3.0 4,-0.6 -5,-0.1 -2,-0.2 0.764 110.0 40.0-109.2 -47.6 4.7 4.2 9.1 70 70 A I H X>S+ 0 0 3 -4,-3.3 5,-2.4 2,-0.2 4,-1.0 0.724 119.7 50.3 -75.1 -22.7 7.1 3.8 6.2 71 71 A K H <5S+ 0 0 86 -4,-1.2 3,-0.3 -5,-0.5 -1,-0.2 0.912 110.1 46.4 -79.6 -47.3 7.5 7.6 6.3 72 72 A Q H 45S+ 0 0 120 1,-0.2 -2,-0.2 -5,-0.2 -1,-0.2 0.626 109.0 60.4 -69.3 -13.1 8.1 7.9 10.0 73 73 A I H <5S- 0 0 35 -4,-0.6 -1,-0.2 -37,-0.1 -2,-0.2 0.866 126.0 -97.0 -80.4 -40.0 10.6 5.1 9.5 74 74 A G T <5S+ 0 0 43 -4,-1.0 -3,-0.2 -3,-0.3 -2,-0.1 0.545 94.9 72.0 127.4 27.0 12.7 7.0 7.0 75 75 A G S > - 0 0 48 20,-0.0 4,-2.8 1,-0.0 3,-1.2 -0.963 37.3 -95.1-176.8 169.7 -9.3 1.7 -10.5 84 84 A P T 34 S+ 0 0 110 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.565 129.1 38.2 -75.1 -9.1 -12.2 3.9 -11.6 85 85 A A T 34 S+ 0 0 48 2,-0.1 -3,-0.0 3,-0.0 0, 0.0 -0.018 123.6 40.2-128.2 25.7 -14.3 2.2 -8.9 86 86 A V T X4 S+ 0 0 4 -3,-1.2 3,-1.3 2,-0.0 4,-0.5 0.470 103.5 60.5-139.7 -36.6 -11.6 2.1 -6.3 87 87 A K T 3X S+ 0 0 64 -4,-2.8 4,-2.0 1,-0.3 3,-0.2 0.606 90.2 76.9 -73.1 -11.8 -9.7 5.3 -6.5 88 88 A R H 3> S+ 0 0 127 -5,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.749 83.5 64.7 -68.7 -24.4 -13.0 7.0 -5.7 89 89 A L H <> S+ 0 0 40 -3,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.922 114.4 29.4 -63.8 -45.8 -12.4 5.9 -2.1 90 90 A F H > S+ 0 0 9 -4,-0.5 4,-1.4 -3,-0.2 6,-1.2 0.700 116.7 61.1 -85.8 -22.9 -9.4 8.2 -1.9 91 91 A D H < S+ 0 0 100 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.836 112.0 38.6 -71.4 -34.0 -10.8 10.6 -4.4 92 92 A M H < S+ 0 0 173 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.830 113.0 54.8 -83.6 -36.4 -13.7 11.3 -2.1 93 93 A S H < S- 0 0 77 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.789 93.5-147.0 -66.7 -28.5 -11.7 11.2 1.1 94 94 A G S < S+ 0 0 43 -4,-1.4 3,-0.2 1,-0.1 -3,-0.1 0.591 76.8 100.9 70.0 10.6 -9.5 13.9 -0.5 95 95 A L > + 0 0 81 -5,-0.5 3,-3.3 1,-0.2 4,-0.5 0.234 38.4 112.7-106.6 9.1 -6.7 12.3 1.5 96 96 A F G >> S+ 0 0 31 -6,-1.2 3,-2.1 1,-0.3 4,-2.1 0.829 70.8 63.3 -49.1 -36.3 -5.4 10.5 -1.6 97 97 A K G 34 S+ 0 0 176 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.729 96.8 58.5 -61.8 -21.4 -2.4 12.7 -1.4 98 98 A I G <4 S+ 0 0 34 -3,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.594 116.9 32.2 -82.3 -12.7 -1.8 11.0 1.9 99 99 A I T <4 S- 0 0 0 -3,-2.1 -2,-0.2 -4,-0.5 -20,-0.2 0.458 94.8-150.9-117.3 -11.8 -1.7 7.7 0.0 100 100 A R < - 0 0 158 -4,-2.1 -21,-0.8 -5,-0.2 2,-0.2 0.879 26.6-176.8 33.9 84.2 -0.2 9.1 -3.2 101 101 A F B +e 79 0B 34 -5,-0.2 -21,-0.2 -23,-0.1 2,-0.2 -0.527 13.7 175.1-103.7 172.3 -1.7 6.6 -5.6 102 102 A E - 0 0 71 -23,-0.6 -20,-0.4 -2,-0.2 2,-0.2 -0.468 35.4 -90.9-145.2-143.8 -1.3 6.1 -9.3 103 103 A Q - 0 0 104 -2,-0.2 2,-5.4 -22,-0.1 -23,-0.1 -0.689 65.4 -75.8-154.4 93.1 -2.4 3.8 -12.1 104 104 A S S > S+ 0 0 78 1,-0.3 3,-7.8 -2,-0.2 4,-0.2 -0.119 124.0 82.8 50.8 -63.0 -0.2 0.8 -13.0 105 105 A E G > S+ 0 0 160 -2,-5.4 3,-1.1 1,-0.3 4,-0.4 0.756 80.8 66.4 -35.8 -30.5 2.0 3.3 -14.7 106 106 A Q G 3> + 0 0 9 1,-0.3 4,-5.1 2,-0.2 5,-0.4 0.634 65.3 107.8 -68.8 -13.9 3.4 3.7 -11.2 107 107 A Q G <4 S+ 0 0 136 -3,-7.8 4,-0.3 1,-0.3 -1,-0.3 0.753 89.0 38.6 -33.4 -31.6 4.6 0.2 -11.5 108 108 A A T X4 S+ 0 0 69 -3,-1.1 3,-1.6 -4,-0.2 5,-0.4 0.916 118.2 44.0 -86.6 -53.5 7.9 1.9 -11.7 109 109 A L G >> S+ 0 0 103 -4,-0.4 3,-2.2 1,-0.3 4,-1.0 0.705 99.1 77.8 -64.0 -19.4 7.3 4.7 -9.2 110 110 A L G 3< S+ 0 0 7 -4,-5.1 -1,-0.3 1,-0.3 -32,-0.2 0.851 75.9 72.5 -57.6 -35.7 5.8 1.9 -7.1 111 111 A T G <4 S- 0 0 15 -3,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.561 132.4 -93.2 -56.9 -5.8 9.4 0.9 -6.3 112 112 A L T <4 - 0 0 7 -3,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.692 51.2 -89.8 96.7 26.1 9.3 4.1 -4.2 113 113 A G S < S+ 0 0 47 -4,-1.0 -1,-0.1 -5,-0.4 -4,-0.1 0.729 115.6 95.4 41.9 25.0 10.7 6.2 -6.9 114 114 A V + 0 0 73 1,-0.2 -1,-0.1 -3,-0.1 2,-0.1 -0.553 67.1 56.6-143.3 71.5 14.0 5.2 -5.3 115 115 A A 0 0 24 -2,-0.1 -1,-0.2 -104,-0.0 -2,-0.1 -0.171 360.0 360.0 161.0 98.0 15.4 2.3 -7.1 116 116 A S 0 0 182 -3,-0.1 -8,-0.0 -2,-0.1 0, 0.0 0.014 360.0 360.0 61.5 360.0 16.2 2.2 -10.8