==== 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 30-APR-09 3H9A . COMPND 2 MOLECULE: BACILYSIN BIOSYNTHESIS PROTEIN BACB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.RAJAVEL,B.GOPAL . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 70.4 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 49.6 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 . 44 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 0 0 4 13 6 2 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 1 A X 0 0 240 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.1 -17.7 -16.9 -33.4 2 2 A K - 0 0 116 4,-0.0 181,-0.0 3,-0.0 3,-0.0 -0.966 360.0-144.8-125.2 119.6 -16.6 -13.8 -31.6 3 3 A T > - 0 0 53 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.157 28.4-109.2 -70.2 170.4 -14.0 -11.4 -32.9 4 4 A K H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.962 123.5 40.9 -65.1 -52.3 -11.6 -9.5 -30.7 5 5 A E H > S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.849 111.8 58.4 -65.6 -35.0 -13.3 -6.2 -31.4 6 6 A D H > S+ 0 0 81 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.955 109.4 43.2 -53.9 -54.1 -16.7 -7.9 -31.1 7 7 A X H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 5,-0.5 0.844 106.4 61.5 -65.5 -35.7 -15.9 -9.1 -27.5 8 8 A Q H X S+ 0 0 49 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.932 103.2 50.4 -55.7 -47.2 -14.4 -5.7 -26.5 9 9 A E H < S+ 0 0 98 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.717 113.6 46.7 -65.3 -26.0 -17.8 -4.0 -27.2 10 10 A L H < S+ 0 0 65 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.962 126.1 22.6 -76.0 -59.7 -19.6 -6.5 -25.1 11 11 A Y H < S+ 0 0 3 -4,-2.4 184,-2.3 1,-0.2 -3,-0.2 0.817 137.4 26.7 -85.5 -34.9 -17.4 -6.7 -22.0 12 12 A F S < S- 0 0 10 -4,-2.5 -1,-0.2 -5,-0.5 182,-0.1 -0.566 85.2-165.6-126.2 67.9 -15.6 -3.4 -22.1 13 13 A P - 0 0 14 0, 0.0 180,-0.3 0, 0.0 -4,-0.1 -0.163 27.6-103.7 -63.6 148.0 -18.0 -1.1 -23.9 14 14 A T - 0 0 59 1,-0.1 16,-0.3 178,-0.1 233,-0.1 -0.541 40.6-127.9 -70.4 127.4 -16.8 2.2 -25.3 15 15 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 232,-0.3 -0.271 12.5-142.0 -73.3 161.0 -18.0 5.1 -23.1 16 16 A K E -A 28 0A 75 12,-2.2 12,-2.8 230,-0.1 2,-0.6 -0.932 17.0-124.4-118.5 147.9 -19.9 8.1 -24.3 17 17 A L E -AB 27 245A 28 228,-2.4 228,-3.0 -2,-0.4 2,-0.5 -0.830 24.3-167.6 -96.5 124.4 -19.4 11.6 -22.8 18 18 A I E -AB 26 244A 14 8,-3.3 8,-3.1 -2,-0.6 2,-0.5 -0.931 1.4-167.7-111.5 130.6 -22.5 13.4 -21.5 19 19 A E E -AB 25 243A 70 224,-2.5 224,-2.6 -2,-0.5 2,-0.3 -0.973 2.9-159.6-121.6 129.3 -22.4 17.1 -20.7 20 20 A W > - 0 0 107 4,-2.5 3,-1.9 -2,-0.5 222,-0.1 -0.714 29.2-118.8-100.8 154.9 -25.1 18.9 -18.8 21 21 A E T 3 S+ 0 0 159 220,-0.4 -1,-0.1 -2,-0.3 221,-0.1 0.877 112.7 64.8 -55.8 -40.2 -25.7 22.7 -18.8 22 22 A N T 3 S- 0 0 64 1,-0.1 -1,-0.3 2,-0.0 24,-0.1 0.617 122.9-105.1 -62.6 -10.4 -25.0 22.8 -15.0 23 23 A G S < S+ 0 0 33 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.225 73.3 141.6 106.4 -13.5 -21.5 21.7 -15.9 24 24 A V - 0 0 6 17,-0.1 -4,-2.5 -5,-0.1 2,-0.4 -0.356 34.7-157.7 -59.3 137.8 -21.6 18.1 -14.8 25 25 A R E -AC 19 40A 72 15,-1.9 15,-2.8 -6,-0.2 2,-0.4 -0.983 9.4-170.3-120.8 133.4 -19.7 15.7 -17.1 26 26 A Q E -AC 18 39A 23 -8,-3.1 -8,-3.3 -2,-0.4 2,-0.6 -0.959 19.3-150.6-126.3 140.3 -20.5 12.0 -17.2 27 27 A Y E -AC 17 38A 83 11,-2.3 11,-2.4 -2,-0.4 2,-0.5 -0.955 25.7-163.4-104.9 120.6 -18.8 9.0 -18.8 28 28 A S E +AC 16 37A 8 -12,-2.8 -12,-2.2 -2,-0.6 2,-0.4 -0.917 13.9 178.9-115.9 124.5 -21.5 6.5 -19.7 29 29 A T E - C 0 36A 8 7,-2.5 7,-2.9 -2,-0.5 2,-0.4 -0.975 11.9-167.1-123.7 139.5 -21.0 2.8 -20.5 30 30 A V E + C 0 35A 76 -2,-0.4 2,-0.3 -16,-0.3 5,-0.2 -0.959 21.9 171.0-132.6 139.7 -23.8 0.4 -21.2 31 31 A R E > - C 0 34A 32 3,-2.1 3,-2.0 -2,-0.4 -21,-0.1 -0.873 65.3 -63.9-142.1 118.6 -24.5 -3.2 -21.6 32 32 A G T 3 S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.204 121.3 2.4 48.7-114.6 -28.1 -4.4 -21.9 33 33 A D T 3 S+ 0 0 100 -3,-0.1 76,-1.7 75,-0.0 2,-0.4 0.366 120.5 72.8 -88.5 4.7 -30.1 -3.6 -18.8 34 34 A T E < -CD 31 108A 4 -3,-2.0 -3,-2.1 74,-0.2 2,-0.4 -0.971 54.0-169.0-130.9 134.2 -27.3 -1.8 -16.9 35 35 A E E -CD 30 107A 47 72,-3.0 72,-2.6 -2,-0.4 2,-0.5 -0.964 6.5-158.8-119.6 134.7 -25.6 1.6 -17.2 36 36 A V E -CD 29 106A 4 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.5 -0.957 11.5-171.7-110.8 128.1 -22.5 2.8 -15.4 37 37 A L E -CD 28 105A 7 68,-2.7 68,-2.5 -2,-0.5 2,-0.7 -0.972 14.1-162.4-122.3 124.0 -21.8 6.5 -15.1 38 38 A X E -CD 27 104A 5 -11,-2.4 -11,-2.3 -2,-0.5 2,-0.4 -0.917 24.4-161.4 -97.4 116.1 -18.7 8.2 -13.8 39 39 A S E -CD 26 103A 6 64,-2.7 64,-2.7 -2,-0.7 2,-0.6 -0.786 19.3-158.9-106.1 142.3 -19.6 11.7 -13.0 40 40 A Y E -CD 25 102A 38 -15,-2.8 -15,-1.9 -2,-0.4 62,-0.2 -0.962 15.2-168.4-113.6 109.5 -17.5 14.8 -12.5 41 41 A V E - D 0 101A 8 60,-2.9 60,-2.8 -2,-0.6 -17,-0.1 -0.899 16.6-133.8-106.4 115.2 -19.4 17.4 -10.4 42 42 A P - 0 0 35 0, 0.0 3,-0.5 0, 0.0 53,-0.2 -0.121 38.8 -71.5 -63.5 161.9 -17.8 20.9 -10.3 43 43 A P S S+ 0 0 55 0, 0.0 55,-0.2 0, 0.0 53,-0.1 -0.051 111.8 4.8 -51.5 150.8 -17.4 23.0 -7.1 44 44 A H S S+ 0 0 92 53,-2.0 2,-0.4 55,-0.2 52,-0.2 0.834 96.5 145.6 38.9 57.7 -20.4 24.5 -5.4 45 45 A T E -N 95 0B 22 50,-1.5 50,-3.0 -3,-0.5 2,-0.3 -0.983 41.5-142.4-132.8 133.3 -22.9 22.8 -7.8 46 46 A N E -N 94 0B 83 -2,-0.4 2,-0.6 48,-0.2 48,-0.3 -0.652 2.5-154.0 -87.1 144.4 -26.4 21.5 -7.5 47 47 A V E -N 93 0B 50 46,-3.8 46,-1.8 -2,-0.3 3,-0.1 -0.961 33.6-121.8-113.9 110.1 -27.7 18.4 -9.2 48 48 A E E - 0 0 115 -2,-0.6 43,-0.1 44,-0.2 46,-0.0 -0.146 29.3-100.6 -58.0 138.3 -31.5 18.9 -9.4 49 49 A P E + 0 0 94 0, 0.0 2,-0.3 0, 0.0 43,-0.3 -0.247 55.3 156.1 -52.7 141.5 -33.7 16.2 -7.8 50 50 A H E -N 91 0B 85 41,-2.2 41,-2.3 39,-0.1 2,-0.3 -0.947 24.7-149.6-156.5-179.9 -35.2 13.7 -10.2 51 51 A Q + 0 0 109 -2,-0.3 2,-0.3 39,-0.2 3,-0.0 -0.993 11.4 176.8-156.5 150.5 -36.6 10.2 -10.4 52 52 A H - 0 0 28 2,-0.3 36,-3.0 -2,-0.3 37,-0.2 -0.961 43.9-105.0-151.9 167.2 -36.9 7.3 -12.8 53 53 A K S S+ 0 0 102 -2,-0.3 2,-0.1 34,-0.2 36,-0.1 0.794 95.0 88.0 -67.6 -28.1 -38.1 3.7 -13.1 54 54 A E S S- 0 0 58 33,-0.1 34,-0.3 32,-0.1 -2,-0.3 -0.415 82.6-120.3 -71.0 145.1 -34.5 2.4 -13.0 55 55 A V E -E 108 0A 0 53,-2.7 53,-2.4 32,-0.1 2,-0.4 -0.536 28.9-153.1 -74.1 152.7 -32.9 1.6 -9.7 56 56 A Q E -EF 107 85A 11 29,-1.6 29,-2.8 51,-0.2 2,-0.4 -0.989 12.6-166.9-136.8 128.8 -29.7 3.6 -9.0 57 57 A I E -EF 106 84A 4 49,-2.9 49,-3.0 -2,-0.4 2,-0.3 -0.932 18.7-171.0-107.8 134.8 -26.7 2.8 -6.9 58 58 A G E +EF 105 83A 0 25,-1.9 25,-1.7 -2,-0.4 2,-0.3 -0.939 15.1 168.6-133.4 151.3 -24.3 5.6 -6.1 59 59 A X E -E 104 0A 5 45,-2.3 45,-3.3 -2,-0.3 2,-0.5 -0.978 31.0-123.9-156.6 142.9 -20.9 6.2 -4.5 60 60 A V E -E 103 0A 0 21,-0.5 19,-2.9 -2,-0.3 43,-0.3 -0.783 21.1-179.1 -87.5 129.5 -18.3 9.0 -4.3 61 61 A V E S+ 0 0 16 41,-2.6 2,-0.3 -2,-0.5 42,-0.2 0.772 72.0 13.0 -94.3 -33.4 -14.9 8.1 -5.5 62 62 A S E S+E 102 0A 56 40,-2.2 40,-2.0 16,-0.1 -1,-0.3 -0.998 111.5 3.0-148.1 138.7 -13.2 11.4 -4.8 63 63 A G S S- 0 0 32 -2,-0.3 15,-0.7 38,-0.2 2,-0.4 -0.412 86.7 -64.7 86.0-163.1 -14.1 14.5 -2.8 64 64 A E E -O 77 0B 70 35,-0.2 2,-0.4 13,-0.2 33,-0.3 -0.995 44.2-169.4-135.9 131.8 -17.2 15.0 -0.6 65 65 A L E -O 76 0B 11 11,-1.8 11,-3.4 -2,-0.4 2,-0.8 -0.959 22.6-137.6-128.7 133.6 -20.8 15.2 -1.7 66 66 A X E -OP 75 94B 52 28,-2.6 28,-2.7 -2,-0.4 2,-0.4 -0.815 35.9-167.7 -85.6 112.3 -24.1 16.2 -0.1 67 67 A X E -OP 74 93B 8 7,-2.7 7,-2.7 -2,-0.8 2,-0.5 -0.856 13.8-163.9-112.0 135.6 -26.5 13.6 -1.2 68 68 A T E +OP 73 92B 47 24,-3.0 24,-2.0 -2,-0.4 2,-0.4 -0.971 11.7 170.9-119.9 126.3 -30.3 13.5 -1.0 69 69 A V E > S-OP 72 91B 0 3,-2.1 3,-2.5 -2,-0.5 2,-0.3 -0.995 73.5 -35.9-128.6 124.3 -32.5 10.4 -1.4 70 70 A G T 3 S- 0 0 29 20,-3.0 22,-0.1 -2,-0.4 50,-0.0 -0.496 124.8 -34.9 59.6-120.7 -36.2 10.8 -0.6 71 71 A D T 3 S+ 0 0 151 -2,-0.3 2,-0.7 -3,-0.1 -1,-0.3 0.092 115.1 106.0-117.6 21.1 -36.0 13.1 2.4 72 72 A V E < -O 69 0B 26 -3,-2.5 -3,-2.1 2,-0.0 2,-0.4 -0.902 50.1-167.8-103.9 113.9 -32.7 11.8 3.8 73 73 A T E +O 68 0B 78 -2,-0.7 2,-0.4 -5,-0.2 -5,-0.2 -0.862 12.0 174.5-102.6 135.7 -29.7 14.0 3.3 74 74 A R E -O 67 0B 83 -7,-2.7 -7,-2.7 -2,-0.4 2,-0.5 -0.999 33.1-123.8-146.7 133.4 -26.3 12.6 4.0 75 75 A K E -O 66 0B 117 -2,-0.4 2,-0.7 -9,-0.2 -9,-0.2 -0.695 31.2-147.1 -77.9 123.9 -22.7 13.8 3.6 76 76 A X E -O 65 0B 1 -11,-3.4 -11,-1.8 -2,-0.5 2,-0.3 -0.846 8.9-160.6-104.3 115.2 -20.8 11.2 1.4 77 77 A T E >> -O 64 0B 57 -2,-0.7 3,-2.0 -13,-0.2 4,-0.6 -0.659 42.4 -79.6 -89.1 143.7 -17.2 10.6 2.1 78 78 A A T 34 S- 0 0 32 -15,-0.7 -17,-0.2 -2,-0.3 -1,-0.1 -0.126 104.3 -18.6 -48.2 122.7 -15.0 9.0 -0.6 79 79 A L T 34 S+ 0 0 29 -19,-2.9 -1,-0.3 2,-0.2 -18,-0.1 0.584 114.9 94.7 62.6 12.5 -15.5 5.2 -0.8 80 80 A E T <4 S+ 0 0 111 -3,-2.0 45,-0.6 -20,-0.1 2,-0.3 0.442 84.7 32.7-114.0 0.7 -16.9 5.0 2.7 81 81 A S E < - 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