==== 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 BIOSYNTHETIC PROTEIN 27-APR-09 3H7J . COMPND 2 MOLECULE: BACILYSIN BIOSYNTHESIS PROTEIN BACB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.RAJAVEL,B.GOPAL . 448 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 220 49.1 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 . 49 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.3 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 14 4 4 7 2 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 4 0 2 0 0 0 0 0 0 0 1 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 K 0 0 219 0, 0.0 2,-0.0 0, 0.0 181,-0.0 0.000 360.0 360.0 360.0 -90.9 16.9 -31.3 -13.3 2 3 A T > - 0 0 66 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.330 360.0-109.7 -72.4 160.8 14.3 -32.5 -10.7 3 4 A K H > S+ 0 0 151 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.943 119.0 46.7 -49.2 -59.7 12.0 -30.2 -8.7 4 5 A E H > S+ 0 0 93 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.945 112.7 50.6 -50.9 -51.9 13.8 -31.0 -5.4 5 6 A D H > S+ 0 0 66 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.910 113.2 43.8 -57.6 -43.9 17.2 -30.5 -7.0 6 7 A M H X S+ 0 0 25 -4,-2.8 4,-3.1 2,-0.2 5,-0.4 0.911 113.1 53.2 -64.9 -45.0 16.2 -27.1 -8.5 7 8 A Q H X S+ 0 0 45 -4,-3.2 4,-2.6 -5,-0.2 -2,-0.2 0.918 108.0 50.0 -58.3 -41.2 14.6 -26.1 -5.1 8 9 A E H < S+ 0 0 63 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.789 115.3 45.1 -72.3 -25.2 17.7 -26.9 -3.2 9 10 A L H < S+ 0 0 74 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.942 125.5 26.5 -75.1 -54.2 19.8 -24.9 -5.6 10 11 A Y H < S+ 0 0 16 -4,-3.1 184,-2.4 1,-0.2 -2,-0.2 0.771 134.9 27.2 -84.4 -27.0 17.6 -21.8 -6.0 11 12 A F S < S- 0 0 10 -4,-2.6 -1,-0.2 -5,-0.4 182,-0.1 -0.620 86.6-160.4-133.8 61.6 15.7 -21.7 -2.6 12 13 A P - 0 0 15 0, 0.0 180,-0.3 0, 0.0 -4,-0.1 -0.162 24.8-108.5 -55.7 144.9 18.2 -23.5 -0.3 13 14 A T - 0 0 56 -5,-0.1 16,-0.3 1,-0.1 2,-0.1 -0.566 41.3-126.3 -71.6 131.5 16.8 -24.9 2.9 14 15 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 231,-0.4 -0.386 12.0-142.3 -83.1 162.1 18.1 -22.7 5.8 15 16 A K E -A 27 0A 55 12,-2.1 12,-2.7 229,-0.1 2,-0.5 -0.918 17.3-127.8-115.7 148.5 19.9 -23.9 8.9 16 17 A L E -AB 26 243A 15 227,-2.4 227,-3.3 -2,-0.4 2,-0.5 -0.824 23.1-165.9 -97.5 129.9 19.2 -22.3 12.2 17 18 A I E -AB 25 242A 20 8,-3.4 8,-3.1 -2,-0.5 2,-0.5 -0.955 2.0-165.1-118.0 130.7 22.4 -21.1 14.0 18 19 A E E -AB 24 241A 61 223,-3.2 223,-2.4 -2,-0.5 2,-0.2 -0.976 3.6-154.7-122.0 133.3 22.2 -20.2 17.6 19 20 A W > - 0 0 82 4,-2.5 3,-2.1 -2,-0.5 221,-0.1 -0.648 28.4-116.2 -99.9 154.9 24.8 -18.3 19.6 20 21 A E T 3 S+ 0 0 163 219,-0.3 -1,-0.1 1,-0.3 220,-0.1 0.872 113.8 60.3 -58.5 -34.2 25.5 -18.4 23.3 21 22 A N T 3 S- 0 0 64 1,-0.1 -1,-0.3 2,-0.1 24,-0.1 0.392 123.8-100.8 -77.0 3.8 24.6 -14.7 23.6 22 23 A G S < S+ 0 0 34 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.263 75.7 139.7 98.2 -6.1 21.0 -15.5 22.4 23 24 A V - 0 0 6 17,-0.1 -4,-2.5 18,-0.1 2,-0.4 -0.459 33.7-162.9 -64.8 134.0 21.4 -14.3 18.7 24 25 A R E -AC 18 39A 102 15,-1.8 15,-3.2 -6,-0.2 2,-0.4 -0.984 7.3-172.4-117.5 141.0 19.6 -16.7 16.3 25 26 A Q E -AC 17 38A 16 -8,-3.1 -8,-3.4 -2,-0.4 2,-0.6 -0.984 21.9-145.8-130.4 152.5 20.3 -16.8 12.7 26 27 A Y E -AC 16 37A 90 11,-2.6 11,-2.6 -2,-0.4 2,-0.5 -0.950 25.6-163.9-111.9 119.5 18.9 -18.4 9.6 27 28 A S E +AC 15 36A 6 -12,-2.7 -12,-2.1 -2,-0.6 2,-0.4 -0.925 12.5 178.2-111.3 130.7 21.6 -19.2 7.2 28 29 A T E - C 0 35A 10 7,-2.7 7,-3.2 -2,-0.5 2,-0.4 -0.979 11.4-166.9-128.5 143.8 21.1 -20.0 3.5 29 30 A V E + C 0 34A 77 -2,-0.4 2,-0.3 -16,-0.3 5,-0.2 -0.980 21.8 177.2-137.5 133.8 23.9 -20.7 1.1 30 31 A R E > - C 0 33A 34 3,-2.3 3,-1.8 -2,-0.4 2,-0.1 -0.849 63.5 -72.4-133.3 111.5 24.6 -21.0 -2.6 31 32 A G T 3 S+ 0 0 74 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.248 122.7 12.8 51.6-107.2 28.2 -21.5 -3.6 32 33 A D T 3 S+ 0 0 46 -2,-0.1 76,-1.5 -3,-0.1 2,-0.4 0.439 121.6 64.3 -83.4 1.4 30.1 -18.2 -3.1 33 34 A T E < -CD 30 107A 2 -3,-1.8 -3,-2.3 74,-0.2 2,-0.4 -0.972 53.9-166.4-135.6 136.5 27.4 -16.4 -1.1 34 35 A E E -CD 29 106A 43 72,-2.5 72,-2.1 -2,-0.4 2,-0.5 -0.947 7.4-158.4-114.6 137.2 25.6 -16.8 2.3 35 36 A V E -CD 28 105A 4 -7,-3.2 -7,-2.7 -2,-0.4 2,-0.5 -0.981 14.0-174.1-108.0 132.2 22.5 -15.0 3.3 36 37 A L E -CD 27 104A 16 68,-2.6 68,-2.3 -2,-0.5 2,-0.6 -0.975 11.5-163.3-128.4 121.4 22.0 -14.8 7.1 37 38 A M E -CD 26 103A 5 -11,-2.6 -11,-2.6 -2,-0.5 2,-0.4 -0.918 20.9-161.1-102.5 123.0 18.8 -13.4 8.8 38 39 A S E -CD 25 102A 5 64,-2.7 64,-2.3 -2,-0.6 2,-0.6 -0.885 21.3-157.9-114.0 138.7 19.6 -12.6 12.4 39 40 A Y E -CD 24 101A 54 -15,-3.2 -15,-1.8 -2,-0.4 62,-0.2 -0.947 19.7-169.2-106.7 110.7 17.4 -12.0 15.4 40 41 A V E - D 0 100A 7 60,-2.7 60,-2.3 -2,-0.6 -17,-0.1 -0.913 17.8-127.9-109.8 121.5 19.4 -10.0 17.9 41 42 A P > - 0 0 34 0, 0.0 3,-0.6 0, 0.0 53,-0.2 -0.102 36.4 -79.5 -65.2 157.7 17.9 -9.7 21.4 42 43 A P T 3 S+ 0 0 50 0, 0.0 55,-0.2 0, 0.0 53,-0.1 -0.197 112.3 9.1 -47.8 145.4 17.4 -6.4 23.3 43 44 A H T 3 S+ 0 0 89 53,-1.6 2,-0.4 51,-0.2 52,-0.2 0.862 96.1 145.2 49.7 52.8 20.5 -4.9 24.9 44 45 A T E < -N 94 0B 18 50,-1.2 50,-2.6 -3,-0.6 2,-0.4 -0.974 43.4-141.4-127.4 132.4 22.9 -7.4 23.3 45 46 A N E -N 93 0B 83 -2,-0.4 2,-0.7 48,-0.2 48,-0.2 -0.747 5.0-153.0 -85.7 137.3 26.4 -6.9 22.1 46 47 A V E -N 92 0B 47 46,-3.3 46,-1.9 -2,-0.4 -6,-0.0 -0.958 30.3-126.4-102.6 110.0 27.5 -8.6 18.9 47 48 A E E - 0 0 114 -2,-0.7 43,-0.1 44,-0.2 2,-0.0 -0.244 26.2-105.9 -58.9 141.8 31.2 -9.0 19.4 48 49 A P E + 0 0 88 0, 0.0 2,-0.3 0, 0.0 43,-0.3 -0.344 47.9 158.3 -67.1 146.4 33.4 -7.6 16.6 49 50 A H E -N 90 0B 87 41,-2.2 41,-2.3 39,-0.1 2,-0.3 -0.880 24.3-144.4-150.1-177.7 35.2 -9.9 14.2 50 51 A Q + 0 0 102 -2,-0.3 2,-0.3 39,-0.2 3,-0.1 -0.984 16.1 178.0-149.4 151.7 36.7 -9.8 10.8 51 52 A H - 0 0 23 -2,-0.3 36,-3.4 37,-0.3 37,-0.2 -0.979 42.9-108.6-153.4 165.2 36.9 -12.2 7.8 52 53 A K S S+ 0 0 107 -2,-0.3 2,-0.1 34,-0.2 -1,-0.1 0.825 94.0 87.6 -66.7 -30.1 38.2 -12.6 4.2 53 54 A E S S- 0 0 46 33,-0.1 34,-0.3 1,-0.1 -2,-0.3 -0.406 83.9-119.0 -66.9 147.7 34.6 -12.5 2.9 54 55 A V E -E 107 0A 0 53,-2.1 53,-1.9 32,-0.1 2,-0.4 -0.401 30.0-152.4 -70.2 158.2 33.0 -9.2 2.1 55 56 A Q E -EF 106 84A 12 29,-1.7 29,-2.9 51,-0.2 2,-0.5 -0.994 14.8-169.0-139.4 133.4 29.9 -8.5 4.2 56 57 A I E -EF 105 83A 0 49,-2.4 49,-2.7 -2,-0.4 2,-0.4 -0.981 17.6-171.1-112.1 132.8 26.8 -6.4 3.4 57 58 A G E +EF 104 82A 0 25,-2.1 25,-1.6 -2,-0.5 2,-0.3 -0.940 11.7 169.8-128.9 147.9 24.4 -5.7 6.4 58 59 A M E -EF 103 81A 2 45,-2.6 45,-2.8 -2,-0.4 2,-0.5 -0.993 29.0-126.5-147.6 149.2 21.0 -4.1 6.6 59 60 A V E -E 102 0A 0 21,-0.5 19,-2.9 17,-0.4 21,-0.3 -0.866 19.8-178.7 -97.3 135.4 18.4 -3.9 9.4 60 61 A V E S+ 0 0 14 41,-2.9 2,-0.3 -2,-0.5 42,-0.2 0.754 71.3 9.8 -98.9 -33.8 15.0 -5.0 8.6 61 62 A S E S+E 101 0A 55 40,-2.4 40,-2.6 16,-0.1 -1,-0.4 -0.987 111.4 12.5-146.9 144.9 13.2 -4.3 11.8 62 63 A G S S- 0 0 30 -2,-0.3 15,-0.8 38,-0.2 2,-0.4 -0.494 87.0 -73.8 88.9-163.6 14.3 -2.4 15.0 63 64 A E E -O 76 0B 67 35,-0.2 2,-0.4 13,-0.2 33,-0.3 -0.999 43.5-167.9-142.0 133.6 17.3 -0.1 15.4 64 65 A L E -O 75 0B 12 11,-2.0 11,-3.6 -2,-0.4 2,-0.9 -0.959 21.3-137.4-134.1 129.6 20.9 -1.3 15.6 65 66 A M E -OP 74 93B 56 28,-2.7 28,-2.1 -2,-0.4 2,-0.4 -0.844 35.0-169.1 -83.9 109.9 24.2 0.5 16.6 66 67 A M E -OP 73 92B 8 7,-2.6 7,-2.5 -2,-0.9 2,-0.5 -0.832 14.5-163.1-110.6 139.0 26.6 -0.8 14.1 67 68 A T E +OP 72 91B 48 24,-3.2 24,-2.1 -2,-0.4 2,-0.4 -0.959 9.8 175.3-123.9 124.9 30.4 -0.3 14.0 68 69 A V E > -OP 71 90B 0 3,-2.8 3,-3.1 -2,-0.5 22,-0.2 -0.997 69.5 -38.3-126.0 123.9 32.5 -0.9 10.9 69 70 A G T 3 S- 0 0 25 20,-3.4 22,-0.1 -2,-0.4 50,-0.1 -0.356 126.2 -30.0 57.3-130.3 36.1 -0.1 11.1 70 71 A D T 3 S+ 0 0 155 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.335 117.8 103.0-102.0 21.7 36.2 2.9 13.3 71 72 A V E < -O 68 0B 22 -3,-3.1 -3,-2.8 2,-0.0 2,-0.5 -0.850 48.4-170.5-100.0 125.7 32.8 4.2 12.1 72 73 A T E +O 67 0B 77 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.945 13.9 166.1-114.5 130.5 29.7 3.8 14.4 73 74 A R E -O 66 0B 101 -7,-2.5 -7,-2.6 -2,-0.5 2,-0.6 -0.994 38.4-116.7-140.6 152.2 26.3 4.6 13.0 74 75 A K E -O 65 0B 110 -2,-0.3 2,-0.6 -9,-0.2 -9,-0.2 -0.789 31.8-146.2 -88.9 127.7 22.7 4.0 14.1 75 76 A M E -O 64 0B 2 -11,-3.6 -11,-2.0 -2,-0.6 2,-0.3 -0.837 9.2-156.3-101.9 119.9 21.0 1.8 11.5 76 77 A T E >> -O 63 0B 58 -2,-0.6 3,-1.8 -13,-0.2 4,-0.8 -0.691 36.2 -85.5 -87.2 149.4 17.3 2.4 10.9 77 78 A A T 34 S- 0 0 29 -15,-0.8 -17,-0.2 -2,-0.3 -1,-0.1 -0.267 105.5 -11.6 -64.8 130.4 15.1 -0.3 9.5 78 79 A L T 34 S+ 0 0 40 -19,-2.9 -1,-0.3 2,-0.2 -18,-0.1 0.500 124.7 79.5 62.6 6.5 15.1 -0.5 5.7 79 80 A E T <4 S+ 0 0 124 -3,-1.8 45,-0.4 -20,-0.2 2,-0.4 0.359 84.7 64.2-120.1 3.1 17.0 2.9 5.5 80 81 A S < + 0 0 16 -4,-0.8 -21,-0.5 -21,-0.3 2,-0.3 -0.947 46.7 156.6-133.4 146.5 20.5 1.7 6.2 81 82 A A E -FG 58 122A 0 41,-0.5 41,-3.1 -2,-0.4 2,-0.3 -0.968 12.0-170.6-157.6 153.2 23.1 -0.6 4.7 82 83 A Y E -FG 57 121A 4 -25,-1.6 -25,-2.1 -2,-0.3 2,-0.5 -0.948 16.3-140.0-139.1 161.1 26.9 -0.9 5.0 83 84 A I E -F 56 0A 0 37,-2.1 -27,-0.2 -2,-0.3 -2,-0.0 -0.998 8.4-163.7-118.0 127.1 29.7 -2.8 3.3 84 85 A A E -F 55 0A 1 -29,-2.9 -29,-1.7 -2,-0.5 3,-0.1 -0.933 22.8-141.2-103.3 104.2 32.5 -4.1 5.4 85 86 A P > - 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