==== 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 28-APR-09 3H7Y . COMPND 2 MOLECULE: BACILYSIN BIOSYNTHESIS PROTEIN BACB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.RAJAVEL,B.GOPAL . 442 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 71.7 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 . 223 50.5 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 . 46 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 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 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 . 0 0 5 12 5 3 8 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 6 A D 0 0 202 0, 0.0 3,-0.4 0, 0.0 178,-0.0 0.000 360.0 360.0 360.0 -45.7 14.1 15.7 67.2 2 7 A M >> + 0 0 99 1,-0.2 3,-1.6 175,-0.1 4,-1.0 0.050 360.0 118.2-101.7 23.8 11.3 16.7 69.6 3 8 A Q H 3> + 0 0 90 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.822 69.3 64.8 -58.3 -32.8 13.4 17.1 72.7 4 9 A E H 34 S+ 0 0 103 -3,-0.4 -1,-0.3 1,-0.2 5,-0.1 0.742 98.0 57.2 -63.0 -23.8 12.4 20.8 72.7 5 10 A L H <4 S+ 0 0 64 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.941 117.4 28.7 -70.3 -49.4 8.9 19.6 73.4 6 11 A Y H < S+ 0 0 15 -4,-1.0 184,-2.4 1,-0.3 -2,-0.2 0.832 133.4 33.1 -85.1 -34.7 9.7 17.6 76.5 7 12 A F S < S- 0 0 12 -4,-3.2 -1,-0.3 182,-0.2 182,-0.2 -0.708 87.2-156.8-123.1 76.3 12.6 19.6 77.7 8 13 A P - 0 0 8 0, 0.0 180,-0.3 0, 0.0 -3,-0.1 -0.235 21.8-113.2 -61.2 140.3 11.8 23.2 76.7 9 14 A T - 0 0 49 -5,-0.1 16,-0.2 16,-0.1 229,-0.1 -0.606 41.2-123.8 -70.0 124.3 14.7 25.7 76.2 10 15 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 228,-0.3 -0.328 13.3-141.3 -73.6 151.4 14.3 28.3 79.0 11 16 A K E -A 23 0A 61 12,-2.2 12,-3.3 226,-0.1 2,-0.5 -0.897 17.8-130.1-105.6 144.6 14.0 32.0 78.5 12 17 A L E -AB 22 236A 27 224,-2.4 224,-2.7 -2,-0.4 2,-0.5 -0.809 16.5-165.1 -94.1 131.2 15.7 34.4 80.9 13 18 A I E -AB 21 235A 21 8,-3.0 8,-2.6 -2,-0.5 2,-0.6 -0.978 6.7-171.2-114.7 121.8 13.7 37.2 82.4 14 19 A E E -AB 20 234A 77 220,-2.9 220,-2.1 -2,-0.5 6,-0.2 -0.946 4.8-160.9-119.4 112.9 15.8 39.9 84.1 15 20 A W > - 0 0 41 4,-2.7 3,-0.7 -2,-0.6 218,-0.1 -0.390 27.4-119.7 -85.0 167.6 14.0 42.6 86.1 16 21 A E T 3 S+ 0 0 146 1,-0.2 -1,-0.1 216,-0.2 217,-0.1 0.763 111.7 60.4 -79.4 -25.6 15.5 46.0 87.1 17 22 A N T 3 S- 0 0 70 2,-0.1 -1,-0.2 24,-0.1 24,-0.0 0.437 124.8 -99.1 -81.0 1.2 15.1 45.3 90.8 18 23 A G S < S+ 0 0 39 -3,-0.7 2,-0.1 1,-0.4 -2,-0.1 0.280 76.8 138.7 103.1 -11.0 17.4 42.2 90.4 19 24 A V - 0 0 1 17,-0.1 -4,-2.7 18,-0.1 2,-0.4 -0.450 32.5-166.2 -64.1 138.0 14.9 39.4 90.2 20 25 A R E -AC 14 35A 90 15,-1.8 15,-2.9 -6,-0.2 2,-0.4 -0.994 4.5-171.8-128.6 138.9 15.8 36.8 87.6 21 26 A Q E -AC 13 34A 24 -8,-2.6 -8,-3.0 -2,-0.4 2,-0.6 -0.981 17.3-147.7-134.4 142.1 13.5 34.2 86.2 22 27 A Y E -AC 12 33A 81 11,-2.4 11,-1.8 -2,-0.4 2,-0.5 -0.946 21.0-158.0-112.0 117.1 13.9 31.2 84.0 23 28 A S E +AC 11 32A 9 -12,-3.3 -12,-2.2 -2,-0.6 2,-0.4 -0.831 14.6 176.2-103.4 121.7 10.8 30.4 81.9 24 29 A T E - C 0 31A 7 7,-2.5 7,-3.1 -2,-0.5 2,-0.4 -0.987 11.2-173.9-121.9 137.6 10.0 27.1 80.4 25 30 A V E + C 0 30A 73 -2,-0.4 2,-0.3 -16,-0.2 5,-0.2 -0.979 20.5 173.5-134.8 136.1 6.8 26.4 78.5 26 31 A R E > - C 0 29A 32 3,-2.1 3,-1.8 -2,-0.4 2,-0.1 -0.919 65.5 -61.6-135.8 118.6 4.9 23.6 76.9 27 32 A G T 3 S+ 0 0 70 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.244 122.6 2.0 54.5-114.4 1.4 24.3 75.5 28 33 A D T 3 S+ 0 0 96 -2,-0.1 76,-1.2 -3,-0.1 2,-0.4 0.275 120.7 73.3 -90.2 9.7 -0.9 25.4 78.4 29 34 A T E < -CD 26 103A 3 -3,-1.8 -3,-2.1 74,-0.2 2,-0.4 -0.981 53.5-168.7-135.4 137.5 1.6 25.3 81.2 30 35 A E E -CD 25 102A 44 72,-2.9 72,-2.7 -2,-0.4 2,-0.5 -0.983 6.8-158.1-125.5 134.8 4.6 27.5 82.2 31 36 A V E -CD 24 101A 3 -7,-3.1 -7,-2.5 -2,-0.4 2,-0.5 -0.931 12.2-171.1-108.5 130.0 7.3 26.8 84.8 32 37 A L E -CD 23 100A 12 68,-2.9 68,-2.1 -2,-0.5 2,-0.6 -0.972 11.9-164.7-125.7 121.9 9.2 29.7 86.4 33 38 A M E -CD 22 99A 4 -11,-1.8 -11,-2.4 -2,-0.5 2,-0.4 -0.917 20.5-163.3 -98.8 121.7 12.2 29.4 88.6 34 39 A S E -CD 21 98A 10 64,-3.0 64,-2.8 -2,-0.6 2,-0.6 -0.888 18.3-160.6-113.6 134.8 12.8 32.8 90.3 35 40 A Y E -CD 20 97A 49 -15,-2.9 -15,-1.8 -2,-0.4 62,-0.2 -0.962 16.6-169.5-108.1 112.4 15.8 34.1 92.1 36 41 A V E - D 0 96A 6 60,-2.9 60,-2.6 -2,-0.6 -17,-0.1 -0.925 16.8-131.7-108.6 119.8 14.7 37.0 94.4 37 42 A P > - 0 0 29 0, 0.0 3,-0.7 0, 0.0 53,-0.2 -0.222 40.9 -71.5 -67.1 158.6 17.5 39.1 95.9 38 43 A P T 3 S+ 0 0 53 0, 0.0 55,-0.2 0, 0.0 53,-0.1 -0.036 113.8 5.4 -44.6 145.4 17.6 40.0 99.6 39 44 A H T 3 S+ 0 0 90 53,-1.6 2,-0.4 55,-0.2 52,-0.2 0.827 96.2 145.3 46.4 46.3 15.1 42.5 101.0 40 45 A T E < -N 90 0B 21 50,-1.1 50,-3.1 -3,-0.7 2,-0.4 -0.946 41.2-142.2-123.1 136.7 13.2 42.7 97.7 41 46 A N E -N 89 0B 78 -2,-0.4 2,-0.6 48,-0.2 48,-0.3 -0.740 1.8-152.9 -92.4 138.3 9.5 43.1 97.0 42 47 A V E -N 88 0B 29 46,-4.2 46,-1.8 -2,-0.4 -6,-0.0 -0.944 31.7-123.3-106.1 108.5 7.7 41.4 94.2 43 48 A E E - 0 0 140 -2,-0.6 43,-0.1 44,-0.2 46,-0.0 -0.171 29.6-106.0 -56.5 138.6 4.8 43.7 93.3 44 49 A P E + 0 0 86 0, 0.0 2,-0.3 0, 0.0 43,-0.3 -0.223 48.2 157.6 -62.9 150.1 1.3 42.1 93.5 45 50 A H E -N 86 0B 86 41,-2.2 41,-2.1 39,-0.1 2,-0.3 -0.925 24.5-142.0-154.1-174.6 -0.7 41.1 90.4 46 51 A Q + 0 0 113 -2,-0.3 2,-0.3 39,-0.2 38,-0.0 -0.985 16.5 170.7-153.2 156.7 -3.4 38.9 89.1 47 52 A H - 0 0 28 -2,-0.3 36,-2.8 2,-0.3 37,-0.2 -0.971 45.8-103.4-161.1 165.7 -4.2 36.9 86.0 48 53 A K S S+ 0 0 31 -2,-0.3 2,-0.2 34,-0.2 -1,-0.0 0.735 93.9 89.1 -70.1 -25.6 -6.7 34.3 84.6 49 54 A E S S- 0 0 38 32,-0.1 34,-0.3 55,-0.1 -2,-0.3 -0.479 82.2-120.6 -72.3 142.8 -4.1 31.5 84.9 50 55 A V E -E 103 0A 0 53,-2.5 53,-1.7 -2,-0.2 2,-0.4 -0.469 28.4-150.1 -72.2 155.8 -4.0 29.6 88.2 51 56 A Q E -EF 102 80A 12 29,-1.7 29,-3.3 51,-0.2 2,-0.4 -0.988 16.1-176.6-138.1 129.8 -0.7 29.7 89.9 52 57 A I E +EF 101 79A 2 49,-2.3 49,-3.4 -2,-0.4 2,-0.3 -0.971 17.7 173.8-119.7 135.0 1.0 27.1 92.2 53 58 A G E -EF 100 78A 1 25,-1.8 25,-1.9 -2,-0.4 2,-0.3 -0.943 17.5-177.1-144.6 165.8 4.3 27.8 93.9 54 59 A M E -E 99 0A 4 45,-2.5 45,-3.2 -2,-0.3 2,-0.4 -0.984 30.9-113.5-157.3 146.9 6.9 26.7 96.4 55 60 A V E -E 98 0A 0 21,-0.5 19,-3.0 17,-0.3 43,-0.3 -0.718 24.9-178.7 -84.2 134.8 10.1 27.9 97.9 56 61 A V E S+ 0 0 13 41,-3.0 2,-0.3 -2,-0.4 42,-0.2 0.751 70.7 10.7 -99.6 -34.9 13.2 25.9 96.9 57 62 A S E S+E 97 0A 52 40,-2.3 40,-2.6 16,-0.0 -1,-0.4 -0.987 112.3 1.4-151.9 134.5 15.8 27.7 98.8 58 63 A G S S- 0 0 32 -2,-0.3 15,-0.9 38,-0.2 2,-0.4 -0.468 88.5 -62.6 87.2-160.9 15.7 30.4 101.5 59 64 A E E -O 72 0B 70 35,-0.2 2,-0.4 13,-0.2 33,-0.3 -0.993 45.6-169.9-136.5 130.4 12.6 31.9 103.1 60 65 A L E -O 71 0B 10 11,-1.9 11,-3.2 -2,-0.4 2,-0.9 -0.957 23.6-137.8-128.4 134.5 9.9 34.0 101.4 61 66 A M E -OP 70 89B 54 28,-2.5 28,-2.2 -2,-0.4 2,-0.5 -0.783 34.6-169.0 -85.6 105.4 6.9 36.1 102.7 62 67 A M E -OP 69 88B 8 7,-2.8 7,-2.9 -2,-0.9 2,-0.5 -0.857 8.9-161.7-109.1 130.5 4.2 35.1 100.2 63 68 A T E +OP 68 87B 47 24,-2.6 24,-1.9 -2,-0.5 2,-0.4 -0.932 13.9 171.1-114.4 123.1 0.9 36.9 99.9 64 69 A V E > -OP 67 86B 0 3,-2.6 3,-2.5 -2,-0.5 22,-0.2 -0.995 69.1 -44.2-125.4 124.7 -2.2 35.4 98.3 65 70 A G T 3 S- 0 0 23 20,-2.9 22,-0.1 -2,-0.4 50,-0.1 -0.343 126.7 -17.4 54.2-127.7 -5.4 37.5 98.7 66 71 A D T 3 S+ 0 0 170 -3,-0.1 2,-0.4 -2,-0.0 -1,-0.3 0.376 121.3 92.1 -87.0 3.1 -5.6 38.6 102.4 67 72 A V E < -O 64 0B 33 -3,-2.5 -3,-2.6 2,-0.0 2,-0.5 -0.844 48.3-174.4-113.3 133.8 -3.1 36.0 103.5 68 73 A T E -O 63 0B 72 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.3 -0.982 10.7-173.0-122.7 119.6 0.7 36.2 103.9 69 74 A R E -O 62 0B 77 -7,-2.9 -7,-2.8 -2,-0.5 2,-1.0 -0.925 26.9-130.1-112.5 136.1 2.6 33.1 104.9 70 75 A K E -O 61 0B 120 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.755 34.7-151.9 -76.6 106.5 6.2 32.8 105.8 71 76 A M E -O 60 0B 0 -11,-3.2 -11,-1.9 -2,-1.0 2,-0.3 -0.740 7.1-155.0 -91.9 123.2 7.2 30.0 103.5 72 77 A T E >> -O 59 0B 60 -2,-0.5 3,-2.0 -13,-0.2 4,-0.6 -0.728 42.6 -81.4 -90.1 144.3 10.1 27.7 104.4 73 78 A A T 34 S- 0 0 27 -15,-0.9 -17,-0.2 -2,-0.3 -1,-0.1 -0.155 106.3 -11.3 -49.3 127.0 11.9 25.9 101.6 74 79 A L T 34 S+ 0 0 29 -19,-3.0 -1,-0.3 2,-0.2 -18,-0.1 0.635 112.2 97.2 62.6 17.0 10.1 22.7 100.4 75 80 A E T <4 S+ 0 0 111 -3,-2.0 45,-0.6 1,-0.2 2,-0.3 0.501 85.1 16.4-118.2 -5.7 7.7 22.7 103.4 76 81 A S E < - G 0 119A 4 -4,-0.6 -21,-0.5 -21,-0.2 2,-0.3 -0.975 57.2-155.6-154.3 167.3 4.6 24.4 102.0 77 82 A A E - G 0 118A 0 41,-2.2 41,-3.5 -2,-0.3 2,-0.3 -0.931 10.0-146.5-138.5 163.8 3.0 25.4 98.7 78 83 A Y E -FG 53 117A 14 -25,-1.9 -25,-1.8 -2,-0.3 2,-0.4 -0.934 1.5-155.5-128.8 155.2 0.4 28.0 97.7 79 84 A I E -F 52 0A 0 37,-2.2 -27,-0.2 -2,-0.3 -2,-0.0 -0.980 2.9-166.0-129.7 119.3 -2.3 28.1 95.1 80 85 A A E -F 51 0A 0 -29,-3.3 -29,-1.7 -2,-0.4 3,-0.1 -0.902 21.5-143.7-101.0 103.1 -3.5 31.5 93.8 81 86 A P > - 0 0 23 0, 0.0 3,-2.1 0, 0.0 -34,-0.2 -0.170 44.0 -61.9 -58.3 160.0 -6.8 30.8 92.0 82 87 A P T 3 S+ 0 0 38 0, 0.0 -34,-0.2 0, 0.0 -32,-0.1 -0.154 122.5 5.4 -46.8 133.0 -7.5 32.8 88.9 83 88 A H T 3 S+ 0 0 107 -36,-2.8 -35,-0.1 -34,-0.3 -33,-0.1 0.316 90.1 133.7 64.7 -0.8 -7.7 36.5 89.5 84 89 A V < - 0 0 23 -3,-2.1 -1,-0.2 -37,-0.2 -37,-0.2 -0.670 61.5-117.7 -72.7 122.1 -6.7 36.3 93.1 85 90 A P + 0 0 60 0, 0.0 -20,-2.9 0, 0.0 2,-0.3 -0.303 41.6 172.9 -56.5 141.8 -4.1 39.0 93.8 86 91 A H E +NP 45 64B 8 -41,-2.1 -41,-2.2 -22,-0.2 2,-0.3 -0.983 10.0 149.0-155.8 147.9 -0.7 37.7 94.8 87 92 A G E - 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