==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 29-JAN-10 3LM6 . COMPND 2 MOLECULE: STAGE V SPORULATION PROTEIN AD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR F.FOROUHAR,M.SU,J.SEETHARAMAN,F.FANG,R.XIAO,K.CUNNINGHAM, . 656 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 15.5 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 . 2 0.3 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 . 2 0.3 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 . 36 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.4 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 6 2 0 0 0 0 2 0 0 0 4 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 2 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 PARALLEL BRIDGES PER LADDER . 3 2 0 0 0 4 0 4 2 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 . 2 0 0 0 0 0 0 0 0 0 0 2 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 X 0 0 152 0, 0.0 462,-0.1 0, 0.0 461,-0.1 0.000 360.0 360.0 360.0 160.9 6.7 19.5 8.9 2 2 A K + 0 0 28 460,-1.1 8,-2.6 459,-0.2 2,-0.5 0.770 360.0 91.5 -83.2 -28.1 9.7 17.9 7.1 3 3 A L E -A 9 0A 22 459,-1.6 2,-0.5 6,-0.2 6,-0.2 -0.568 61.5-173.2 -70.3 116.8 7.6 14.7 6.5 4 4 A T E > -A 8 0A 46 4,-3.4 4,-1.2 -2,-0.5 3,-0.3 -0.954 51.1 -23.1-117.1 130.5 5.9 15.1 3.2 5 5 A G T 4 S- 0 0 51 -2,-0.5 211,-0.1 1,-0.2 214,-0.0 -0.431 110.6 -42.2 73.3-147.3 3.4 12.5 2.0 6 6 A K T 4 S+ 0 0 94 209,-0.3 -1,-0.2 -2,-0.1 210,-0.1 0.873 130.7 2.6 -89.2 -41.4 3.5 9.1 3.5 7 7 A Q T 4 S+ 0 0 4 -3,-0.3 180,-2.5 208,-0.2 2,-0.4 0.188 98.1 108.3-136.4 18.5 7.2 8.1 3.6 8 8 A T E < -AB 4 186A 0 -4,-1.2 -4,-3.4 178,-0.2 2,-0.5 -0.854 46.2-155.8-112.2 133.6 9.3 11.1 2.4 9 9 A W E -AB 3 185A 6 176,-3.4 176,-1.8 -2,-0.4 2,-0.6 -0.887 6.4-169.2-103.4 125.6 11.6 13.5 4.3 10 10 A V E - B 0 184A 50 -8,-2.6 2,-0.2 -2,-0.5 174,-0.2 -0.964 21.1-136.7-113.6 113.9 12.2 16.9 2.8 11 11 A F E - 0 0 18 172,-1.0 4,-0.1 -2,-0.6 111,-0.0 -0.508 9.5-158.2 -74.5 134.5 15.0 18.6 4.7 12 12 A E E S+ 0 0 130 -2,-0.2 -1,-0.1 2,-0.1 114,-0.0 0.916 78.9 58.6 -76.2 -46.9 14.5 22.4 5.5 13 13 A H E S- 0 0 86 112,-0.1 2,-0.3 1,-0.1 -2,-0.0 -0.616 103.4 -99.5 -84.0 142.8 18.1 23.2 5.9 14 14 A P E - 0 0 68 0, 0.0 2,-0.5 0, 0.0 169,-0.1 -0.480 40.8-161.0 -64.4 126.7 20.4 22.6 3.0 15 15 A I E - B 0 182A 0 167,-0.7 167,-2.8 -2,-0.3 2,-0.3 -0.945 11.3-174.1-112.6 128.0 22.2 19.3 3.5 16 16 A F E -CB 174 181A 20 158,-2.6 158,-1.6 -2,-0.5 2,-0.7 -0.825 30.6-122.5-123.1 162.4 25.4 18.6 1.6 17 17 A V E -CB 173 180A 9 163,-2.4 163,-0.8 -2,-0.3 162,-0.5 -0.903 25.8-174.7 -99.1 112.4 27.9 15.8 1.0 18 18 A N E - 0 0 26 154,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.792 64.3 -10.7 -80.1 -30.5 31.3 17.3 2.0 19 19 A S E -C 172 0A 10 153,-0.8 153,-2.3 51,-0.1 2,-0.3 -0.970 56.3-153.8-166.8 154.9 33.4 14.3 0.9 20 20 A A E -C 171 0A 12 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.992 7.4-168.3-136.5 141.9 33.1 10.7 -0.2 21 21 A G E -C 170 0A 0 149,-2.8 149,-2.6 -2,-0.3 2,-0.3 -0.965 5.7-179.6-130.4 147.2 35.6 7.8 0.0 22 22 A T E -C 169 0A 0 -2,-0.3 17,-1.4 147,-0.2 16,-0.8 -0.996 7.0-177.0-147.7 144.0 35.5 4.4 -1.6 23 23 A A E -Cd 168 39A 0 145,-2.3 145,-2.7 -2,-0.3 2,-0.3 -0.975 13.4-179.0-136.7 146.3 37.7 1.3 -1.6 24 24 A A E -Cd 167 40A 0 15,-2.1 17,-1.0 -2,-0.3 143,-0.3 -0.978 22.6-112.1-148.3 160.7 37.3 -1.9 -3.6 25 25 A G > - 0 0 0 141,-2.7 4,-2.4 -2,-0.3 3,-0.2 -0.052 48.0 -82.4 -80.5-173.4 38.7 -5.3 -4.3 26 26 A P H > S+ 0 0 25 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.909 124.5 51.9 -58.9 -50.2 40.4 -6.7 -7.5 27 27 A K H 4 S+ 0 0 75 1,-0.2 4,-0.2 2,-0.2 7,-0.1 0.842 114.8 45.4 -59.4 -31.3 37.3 -7.7 -9.4 28 28 A E H >4 S+ 0 0 2 -3,-0.2 3,-1.6 138,-0.2 5,-0.4 0.923 108.6 56.0 -75.2 -45.2 36.0 -4.1 -8.9 29 29 A K H 3< S+ 0 0 75 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.826 110.3 45.3 -54.9 -36.7 39.4 -2.6 -9.7 30 30 A D T 3< S+ 0 0 120 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.473 97.8 96.6 -88.7 -2.6 39.4 -4.3 -13.1 31 31 A G S X S- 0 0 12 -3,-1.6 3,-1.2 -5,-0.2 4,-0.3 -0.170 98.5 -88.0 -77.5 178.6 35.8 -3.4 -13.8 32 32 A P T 3 S+ 0 0 68 0, 0.0 234,-0.1 0, 0.0 -1,-0.1 0.490 129.4 41.4 -67.0 -3.7 34.6 -0.4 -15.8 33 33 A L T >> S+ 0 0 11 232,-0.5 3,-2.7 -5,-0.4 4,-0.5 0.386 80.8 108.8-121.0 -1.6 34.7 1.9 -12.8 34 34 A G G X4 S+ 0 0 6 -3,-1.2 3,-0.7 -6,-0.4 -4,-0.1 0.746 73.8 57.7 -46.2 -34.7 37.9 0.6 -11.2 35 35 A S G 34 S+ 0 0 114 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.598 99.8 60.3 -76.1 -11.3 39.8 3.7 -12.1 36 36 A L G <4 S+ 0 0 44 -3,-2.7 -1,-0.2 -7,-0.0 -2,-0.2 0.586 80.2 101.0 -93.3 -10.7 37.4 5.9 -10.1 37 37 A F << - 0 0 15 -3,-0.7 -14,-0.1 -4,-0.5 3,-0.1 -0.482 68.2-139.7 -76.9 146.0 37.9 4.2 -6.7 38 38 A D S S+ 0 0 67 -16,-0.8 2,-0.4 1,-0.2 -15,-0.2 0.875 88.1 18.2 -71.1 -37.4 40.1 6.0 -4.1 39 39 A K E S+d 23 0A 87 -17,-1.4 -15,-2.1 19,-0.1 2,-0.3 -0.999 70.4 174.3-139.4 137.5 41.7 2.7 -3.0 40 40 A T E -d 24 0A 30 -2,-0.4 2,-0.3 -17,-0.2 -15,-0.2 -0.908 13.8-149.7-136.9 165.6 41.9 -0.7 -4.6 41 41 A Y - 0 0 17 -17,-1.0 -12,-0.3 -2,-0.3 -13,-0.1 -0.965 14.9-151.2-137.0 152.5 43.5 -4.1 -4.0 42 42 A D S S+ 0 0 122 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.638 88.4 52.7 -95.2 -17.8 44.8 -6.9 -6.3 43 43 A E S > S- 0 0 91 1,-0.1 3,-2.8 -17,-0.1 -1,-0.2 -0.976 78.4-135.1-122.8 129.5 44.1 -9.6 -3.6 44 44 A X T 3 S+ 0 0 62 -2,-0.4 97,-0.1 1,-0.3 -1,-0.1 0.727 104.1 69.4 -52.5 -23.6 40.8 -10.1 -1.8 45 45 A H T > S- 0 0 61 9,-0.1 3,-1.2 1,-0.1 -1,-0.3 0.738 91.1-149.4 -68.3 -21.4 42.8 -10.5 1.4 46 46 A C T < - 0 0 1 -3,-2.8 -2,-0.1 1,-0.3 3,-0.1 0.919 67.9 -57.3 51.0 47.2 43.6 -6.7 1.1 47 47 A N T 3 S+ 0 0 140 1,-0.2 2,-0.3 -4,-0.1 -1,-0.3 0.782 113.4 124.4 56.1 30.3 46.9 -7.4 2.9 48 48 A Q < - 0 0 50 -3,-1.2 -1,-0.2 1,-0.1 6,-0.1 -0.835 70.0-125.3-120.8 158.9 45.1 -8.9 5.8 49 49 A K S S+ 0 0 157 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.779 90.3 20.3 -70.9 -30.5 45.2 -12.2 7.7 50 50 A S S > S- 0 0 19 -5,-0.2 4,-1.8 1,-0.1 3,-0.1 -0.928 76.7-110.2-139.6 165.4 41.5 -13.0 7.3 51 51 A W H > S+ 0 0 73 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.900 118.3 53.1 -57.9 -44.4 38.4 -12.2 5.2 52 52 A E H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.864 109.5 49.1 -60.6 -37.2 36.8 -10.3 8.1 53 53 A X H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.807 107.1 56.6 -72.3 -29.7 39.9 -8.3 8.5 54 54 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.971 106.7 47.3 -65.7 -52.5 39.9 -7.5 4.8 55 55 A E H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.877 111.3 53.2 -55.6 -38.9 36.3 -6.0 4.9 56 56 A R H X S+ 0 0 24 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.940 107.0 50.8 -61.9 -46.8 37.4 -4.0 8.0 57 57 A Q H X S+ 0 0 57 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.853 107.0 56.1 -59.6 -34.9 40.4 -2.6 6.1 58 58 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.936 110.8 42.1 -63.5 -46.2 38.0 -1.7 3.3 59 59 A X H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.888 111.0 56.3 -69.0 -38.4 35.8 0.4 5.6 60 60 A E H X S+ 0 0 28 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.937 109.8 47.5 -55.8 -47.9 38.8 1.9 7.3 61 61 A D H X S+ 0 0 31 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.943 111.2 48.2 -59.5 -53.3 40.1 3.1 3.9 62 62 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 108,-0.2 0.923 115.0 46.2 -56.3 -45.4 36.8 4.6 2.8 63 63 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.949 115.7 44.3 -64.7 -48.0 36.3 6.4 6.1 64 64 A N H X S+ 0 0 73 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.916 113.2 49.9 -64.9 -42.2 39.9 7.8 6.2 65 65 A V H X S+ 0 0 33 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.886 112.2 49.1 -64.4 -35.8 39.9 8.8 2.6 66 66 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.919 114.1 44.9 -68.2 -43.3 36.6 10.6 3.1 67 67 A L H <>S+ 0 0 8 -4,-2.5 5,-3.3 1,-0.2 -2,-0.2 0.881 111.8 54.2 -67.3 -37.6 37.9 12.4 6.2 68 68 A Q H ><5S+ 0 0 146 -4,-2.9 3,-1.7 3,-0.2 -2,-0.2 0.918 102.6 55.5 -62.5 -46.5 41.2 13.2 4.5 69 69 A K H 3<5S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.848 112.1 41.9 -56.8 -38.8 39.6 14.9 1.5 70 70 A N T 3<5S- 0 0 52 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.204 115.5-114.2 -94.7 14.8 37.6 17.4 3.7 71 71 A N T < 5 + 0 0 142 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.920 70.0 142.8 52.8 48.8 40.6 17.9 5.9 72 72 A L < - 0 0 23 -5,-3.3 2,-0.3 -8,-0.1 -1,-0.2 -0.763 40.1-151.8-118.3 162.6 38.8 16.3 8.8 73 73 A T > - 0 0 67 -2,-0.3 3,-3.2 -3,-0.1 4,-0.2 -0.865 39.6-100.1-127.5 161.1 39.6 14.0 11.7 74 74 A K G > S+ 0 0 74 1,-0.3 3,-1.2 -2,-0.3 -1,-0.0 0.787 123.0 63.1 -52.5 -26.2 37.5 11.5 13.6 75 75 A D G 3 S+ 0 0 129 1,-0.2 -1,-0.3 26,-0.1 25,-0.0 0.612 91.4 64.6 -76.2 -9.8 37.1 14.2 16.3 76 76 A D G < S+ 0 0 61 -3,-3.2 2,-0.4 54,-0.0 -1,-0.2 0.407 89.8 86.0 -90.7 3.3 35.3 16.4 13.8 77 77 A I < - 0 0 8 -3,-1.2 55,-0.2 -4,-0.2 3,-0.1 -0.868 50.1-176.7-109.3 138.6 32.5 13.9 13.6 78 78 A D S S+ 0 0 42 53,-2.4 2,-0.4 -2,-0.4 54,-0.2 0.754 72.5 27.3 -98.6 -33.7 29.5 13.9 16.0 79 79 A L E -e 132 0A 2 52,-1.3 54,-2.4 22,-0.1 2,-0.5 -0.990 57.6-160.4-136.7 144.3 27.7 10.8 14.7 80 80 A L E -ef 133 103A 0 22,-2.1 24,-2.8 -2,-0.4 2,-0.6 -0.984 9.0-176.7-125.7 117.0 28.7 7.6 12.9 81 81 A L E +ef 134 104A 0 52,-2.9 54,-1.9 -2,-0.5 2,-0.3 -0.950 24.3 141.9-118.4 108.2 26.0 5.6 11.1 82 82 A A E +ef 135 105A 0 22,-0.6 24,-2.5 -2,-0.6 2,-0.3 -0.942 18.4 170.9-143.6 162.5 27.3 2.4 9.6 83 83 A G E -e 136 0A 0 52,-0.9 54,-0.7 -2,-0.3 2,-0.3 -0.953 11.1-159.3-169.4 153.0 26.3 -1.2 9.0 84 84 A D E -e 137 0A 0 -2,-0.3 25,-0.2 22,-0.3 5,-0.1 -0.882 30.3-115.6-134.6 165.5 27.4 -4.4 7.1 85 85 A L S S+ 0 0 27 52,-0.6 2,-0.3 -2,-0.3 3,-0.1 0.662 84.5 95.2 -81.6 -14.9 25.6 -7.5 5.9 86 86 A L S > S- 0 0 7 1,-0.1 3,-1.8 2,-0.1 4,-0.3 -0.572 90.5 -88.2 -79.4 138.0 27.5 -10.0 8.2 87 87 A N G > S+ 0 0 45 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 -0.015 109.3 16.6 -47.9 143.7 25.7 -10.8 11.4 88 88 A Q G 3 S- 0 0 51 1,-0.2 -1,-0.3 -3,-0.1 5,-0.2 0.386 109.8-102.3 72.8 -1.1 26.3 -8.8 14.5 89 89 A N G <> + 0 0 4 -3,-1.8 4,-2.4 -5,-0.1 -1,-0.2 0.913 58.1 172.3 52.5 47.8 27.7 -6.1 12.3 90 90 A V H <> + 0 0 7 -3,-0.8 4,-2.5 -4,-0.3 5,-0.3 0.912 69.7 54.6 -51.9 -50.7 31.3 -7.0 13.2 91 91 A T H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.949 112.6 40.0 -50.7 -60.3 32.8 -4.7 10.6 92 92 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.918 114.2 53.2 -59.0 -47.3 31.1 -1.5 11.7 93 93 A N H X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.908 112.8 43.0 -56.4 -46.2 31.4 -2.2 15.5 94 94 A Y H X S+ 0 0 2 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.885 114.3 49.6 -70.4 -37.1 35.1 -2.7 15.3 95 95 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 3,-0.4 0.918 110.8 51.8 -66.0 -40.3 35.7 0.3 13.0 96 96 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.4 0.835 101.0 61.1 -63.9 -33.4 33.6 2.3 15.4 97 97 A R H < S+ 0 0 51 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.897 109.9 43.2 -58.8 -37.4 35.7 1.1 18.3 98 98 A H H < S+ 0 0 81 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.867 114.0 47.3 -76.5 -40.6 38.6 2.8 16.5 99 99 A L H < S- 0 0 2 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.798 85.6-155.1 -73.4 -26.9 36.8 6.0 15.5 100 100 A K < + 0 0 93 -4,-2.4 -3,-0.1 1,-0.2 -4,-0.1 0.768 43.1 144.0 55.7 26.3 35.4 6.5 19.0 101 101 A I - 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