==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDASE 21-SEP-04 1W8E . COMPND 2 MOLECULE: SPORE COAT PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR I.BENTO,L.O.MARTINS,G.G.LOPES,M.A.CARRONDO,P.F.LINDLEY . 505 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 25.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 62 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 1 0 1 1 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 . 4 0 1 1 0 1 2 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 . 8 3 3 5 3 3 2 1 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 . 1 2 1 1 3 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 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 T 0 0 147 0, 0.0 3,-0.1 0, 0.0 226,-0.0 0.000 360.0 360.0 360.0 132.7 89.3 13.5 44.0 2 3 A L - 0 0 35 1,-0.1 2,-0.4 38,-0.0 233,-0.0 -0.169 360.0-106.8 -56.4 138.7 89.0 16.7 42.0 3 4 A E - 0 0 104 1,-0.1 3,-0.5 2,-0.0 37,-0.2 -0.576 39.6-125.1 -72.6 127.0 92.2 18.8 41.7 4 5 A K S S+ 0 0 44 -2,-0.4 231,-0.1 1,-0.2 -1,-0.1 -0.372 77.2 13.1 -75.9 144.7 92.0 21.8 43.9 5 6 A F S S+ 0 0 20 230,-2.6 -1,-0.2 229,-0.1 230,-0.1 0.868 81.5 117.4 68.6 44.3 92.4 25.4 42.7 6 7 A V + 0 0 31 -3,-0.5 2,-0.4 229,-0.4 -2,-0.1 0.453 61.7 66.1-114.6 -7.5 92.3 25.0 39.0 7 8 A D S S- 0 0 23 228,-0.4 230,-2.2 227,-0.3 2,-0.1 -0.967 83.5-119.3-117.6 133.9 89.1 27.1 38.2 8 9 A A B -a 237 0A 53 -2,-0.4 230,-0.2 228,-0.2 -2,-0.0 -0.435 39.5 -98.7 -66.3 140.4 88.9 30.9 38.8 9 10 A L - 0 0 12 228,-3.0 2,-0.1 -2,-0.1 -1,-0.1 -0.426 38.5-129.3 -56.9 119.0 86.3 32.1 41.3 10 11 A P - 0 0 46 0, 0.0 223,-0.1 0, 0.0 -1,-0.1 -0.500 11.7-151.1 -68.4 141.1 83.1 33.2 39.4 11 12 A I - 0 0 86 -2,-0.1 3,-0.1 177,-0.1 177,-0.1 -0.961 22.4-128.6-109.0 108.4 81.8 36.6 40.4 12 13 A P - 0 0 23 0, 0.0 44,-0.1 0, 0.0 2,-0.0 -0.268 26.7-113.4 -57.0 133.9 77.9 36.6 39.9 13 14 A D - 0 0 135 1,-0.1 45,-2.2 44,-0.0 2,-0.4 -0.376 31.3-105.2 -60.1 153.9 76.8 39.5 37.8 14 15 A T B -f 58 0B 58 43,-0.2 45,-0.2 1,-0.1 -1,-0.1 -0.702 41.2-109.6 -84.2 126.3 74.7 42.0 39.5 15 16 A L - 0 0 20 43,-3.0 45,-0.3 -2,-0.4 -1,-0.1 -0.348 26.8-139.9 -56.4 132.2 71.0 41.7 38.4 16 17 A K - 0 0 166 43,-0.1 -1,-0.1 -2,-0.0 3,-0.0 -0.838 23.0-115.2 -90.9 135.4 69.7 44.5 36.1 17 18 A P - 0 0 37 0, 0.0 10,-0.2 0, 0.0 3,-0.2 -0.317 4.3-141.4 -65.3 150.0 66.1 45.7 36.8 18 19 A V S S+ 0 0 92 8,-2.3 2,-0.3 1,-0.3 9,-0.2 0.887 94.1 8.2 -73.8 -39.6 63.3 45.2 34.2 19 20 A Q E S+G 26 0C 64 7,-1.7 7,-3.4 2,-0.0 2,-0.3 -0.999 71.9 175.5-138.9 141.6 62.0 48.7 35.2 20 21 A Q E +G 25 0C 107 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.996 8.9 152.1-144.8 141.4 63.5 51.3 37.5 21 22 A S - 0 0 49 3,-2.3 3,-0.2 -2,-0.3 -2,-0.0 -0.854 60.4 -89.6-144.5-177.6 62.5 54.9 38.5 22 23 A K S S+ 0 0 197 -2,-0.3 44,-0.2 1,-0.2 3,-0.1 0.749 126.7 44.7 -68.1 -23.8 63.1 56.9 41.7 23 24 A E S S+ 0 0 141 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.661 122.9 15.6 -93.6 -18.1 59.9 55.6 43.2 24 25 A K - 0 0 93 -3,-0.2 -3,-2.3 41,-0.1 2,-0.4 -0.974 49.5-156.6-159.5 142.0 60.3 51.9 42.3 25 26 A T E -Gh 20 67C 3 41,-2.8 43,-3.1 -2,-0.3 2,-0.5 -0.983 19.3-165.5-120.5 130.8 62.6 49.2 41.2 26 27 A Y E +Gh 19 68C 45 -7,-3.4 -8,-2.3 -2,-0.4 -7,-1.7 -0.944 7.8 179.1-124.1 122.0 61.2 46.1 39.5 27 28 A Y E - h 0 69C 7 41,-3.1 43,-2.6 -2,-0.5 2,-0.4 -0.834 14.9-153.8-117.3 156.8 63.0 42.8 38.9 28 29 A E E - h 0 70C 72 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.999 12.2-179.9-129.7 129.2 62.1 39.4 37.3 29 30 A V E - h 0 71C 0 41,-2.2 43,-2.9 -2,-0.4 2,-0.5 -0.991 8.2-162.7-130.0 126.0 63.8 36.2 38.2 30 31 A T E - h 0 72C 30 -2,-0.4 21,-2.2 41,-0.2 22,-0.6 -0.926 16.9-133.6-113.3 123.5 62.9 32.9 36.6 31 32 A M E +Ih 50 73C 0 41,-3.3 43,-1.5 -2,-0.5 2,-0.4 -0.579 36.4 176.0 -71.7 126.9 63.9 29.5 38.1 32 33 A E E -I 49 0C 65 17,-2.7 17,-3.3 -2,-0.4 2,-0.4 -0.994 37.7-122.0-138.2 140.6 65.3 27.3 35.4 33 34 A E E +I 48 0C 68 41,-0.4 2,-0.3 -2,-0.4 15,-0.2 -0.690 51.7 159.1 -73.3 131.4 66.9 23.9 35.1 34 35 A C E -I 47 0C 21 13,-2.9 13,-2.9 -2,-0.4 2,-0.4 -0.848 37.0-121.8-147.0 171.2 70.3 24.6 33.5 35 36 A T E +I 46 0C 90 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.991 29.2 169.9-124.2 139.6 73.7 22.9 33.2 36 37 A H E -I 45 0C 63 9,-2.1 9,-2.9 -2,-0.4 2,-0.5 -0.991 36.9-116.4-143.7 143.5 77.0 24.4 34.4 37 38 A Q - 0 0 83 -2,-0.3 3,-0.1 7,-0.3 -2,-0.0 -0.674 24.4-171.6 -77.9 128.9 80.4 23.0 34.7 38 39 A L + 0 0 2 -2,-0.5 196,-3.2 5,-0.4 2,-0.3 0.588 69.5 16.7 -96.3 -15.0 81.4 23.0 38.4 39 40 A H S > S- 0 0 0 194,-0.2 3,-2.1 3,-0.2 -1,-0.3 -0.980 78.2-110.3-158.8 146.7 85.0 22.0 37.9 40 41 A R T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.855 117.1 45.9 -42.1 -45.9 87.6 21.9 35.0 41 42 A D T 3 S+ 0 0 85 -38,-0.1 -1,-0.3 -3,-0.1 -4,-0.0 0.241 99.1 87.5 -92.2 14.6 87.6 18.1 35.0 42 43 A L S < S- 0 0 16 -3,-2.1 -3,-0.2 157,-0.1 3,-0.1 -0.856 75.7-116.0-117.4 148.6 83.8 17.5 35.1 43 44 A P - 0 0 58 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.426 61.2 -75.2 -63.6 153.1 81.0 17.2 32.6 44 45 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.192 52.4-129.6 -51.7 140.3 78.4 20.0 32.9 45 46 A T E -I 36 0C 0 -9,-2.9 -9,-2.1 -3,-0.1 2,-0.4 -0.823 10.7-124.0-100.8 133.0 76.1 19.5 36.0 46 47 A R E +I 35 0C 107 -2,-0.4 155,-0.4 -11,-0.2 2,-0.3 -0.663 46.7 162.6 -74.0 127.4 72.3 19.7 35.8 47 48 A L E -I 34 0C 0 -13,-2.9 -13,-2.9 -2,-0.4 2,-0.5 -0.918 42.9-118.8-141.0 162.4 71.1 22.3 38.3 48 49 A W E -I 33 0C 0 113,-2.5 2,-0.4 -2,-0.3 -15,-0.3 -0.949 43.4-179.6-106.0 124.8 68.2 24.5 39.2 49 50 A G E > -I 32 0C 0 -17,-3.3 -17,-2.7 -2,-0.5 3,-2.0 -0.970 37.4-114.2-133.8 142.4 69.1 28.1 39.0 50 51 A Y E > S-IJ 31 53C 0 3,-0.7 3,-1.3 112,-0.4 -19,-0.2 -0.620 115.0 -2.8 -67.7 123.0 67.7 31.6 39.5 51 52 A N T 3 S- 0 0 52 -21,-2.2 -1,-0.3 -2,-0.4 -20,-0.2 0.755 132.2 -66.7 54.5 30.7 67.7 33.0 35.9 52 53 A G T < S+ 0 0 11 -3,-2.0 2,-0.3 -22,-0.6 -1,-0.2 0.713 110.3 121.5 66.9 25.0 69.4 29.7 35.0 53 54 A L B < -J 50 0C 72 -3,-1.3 -3,-0.7 -19,-0.1 -1,-0.2 -0.908 60.8-125.4-122.2 144.8 72.5 30.6 37.1 54 55 A F S S+ 0 0 19 -2,-0.3 2,-0.2 -5,-0.2 111,-0.1 -0.944 105.1 21.9-132.1 112.9 74.3 29.0 40.0 55 56 A P S S- 0 0 9 0, 0.0 110,-0.2 0, 0.0 -1,-0.1 0.640 110.6-114.5 -67.1 171.0 74.5 30.9 42.2 56 57 A G - 0 0 0 108,-3.4 110,-0.5 106,-0.2 -5,-0.1 -0.137 46.9 -71.7 -62.0 168.7 71.7 33.3 41.2 57 58 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.263 52.7-107.9 -60.2 148.1 72.5 36.8 40.2 58 59 A T B -f 14 0B 5 -45,-2.2 -43,-3.0 107,-0.1 2,-0.5 -0.656 30.3-149.8 -80.1 128.7 73.6 39.2 43.0 59 60 A I E -l 167 0D 0 107,-2.3 109,-3.1 -2,-0.4 2,-0.4 -0.908 12.0-168.5-100.2 131.9 70.9 41.7 43.8 60 61 A E E +l 168 0D 71 -2,-0.5 2,-0.3 -45,-0.3 109,-0.2 -0.987 13.1 164.6-124.5 128.6 72.1 45.1 45.0 61 62 A V E -l 169 0D 2 107,-2.6 109,-3.2 -2,-0.4 2,-0.3 -0.867 32.4-115.8-138.1 161.5 69.8 47.7 46.5 62 63 A K E > -l 170 0D 124 -2,-0.3 3,-2.4 107,-0.2 109,-0.2 -0.715 46.7 -87.2 -95.0 151.3 70.0 50.9 48.6 63 64 A R T 3 S+ 0 0 78 107,-2.1 76,-0.2 -2,-0.3 75,-0.1 -0.365 117.8 11.3 -51.7 135.5 68.6 51.2 52.0 64 65 A N T 3 S+ 0 0 99 74,-3.5 -1,-0.3 1,-0.2 2,-0.2 0.536 88.9 150.5 65.1 9.6 64.8 52.2 51.7 65 66 A E < - 0 0 26 -3,-2.4 2,-1.2 73,-0.3 -1,-0.2 -0.554 52.8-123.4 -71.2 136.9 64.9 51.5 47.9 66 67 A N - 0 0 55 -2,-0.2 -41,-2.8 -44,-0.2 2,-0.4 -0.726 42.2-176.7 -90.1 96.1 61.4 50.4 47.0 67 68 A V E -hK 25 136C 0 69,-2.3 69,-3.4 -2,-1.2 2,-0.4 -0.808 19.0-174.5-109.7 138.4 62.0 47.0 45.4 68 69 A Y E -hK 26 135C 60 -43,-3.1 -41,-3.1 -2,-0.4 2,-0.4 -0.993 3.5-172.4-123.5 134.6 59.7 44.5 43.7 69 70 A V E -hK 27 134C 0 65,-2.1 65,-2.9 -2,-0.4 2,-0.9 -0.974 13.7-156.9-126.2 122.7 60.7 41.0 42.5 70 71 A K E -hK 28 133C 49 -43,-2.6 -41,-2.2 -2,-0.4 2,-0.6 -0.835 17.3-163.8 -88.4 104.0 58.5 38.7 40.5 71 72 A W E -h 29 0C 3 -2,-0.9 2,-0.4 61,-0.8 -41,-0.2 -0.836 11.1-166.9 -92.7 122.7 60.0 35.3 41.3 72 73 A M E -h 30 0C 31 -43,-2.9 -41,-3.3 -2,-0.6 2,-0.7 -0.862 20.2-138.6-118.3 140.5 58.8 32.7 38.6 73 74 A N E +h 31 0C 0 -2,-0.4 48,-2.3 46,-0.3 49,-0.1 -0.894 34.5 154.5 -97.2 112.6 58.9 28.9 38.5 74 75 A N + 0 0 74 -43,-1.5 -41,-0.4 -2,-0.7 -1,-0.1 -0.178 36.2 127.8-124.8 37.0 59.8 27.8 35.0 75 76 A L - 0 0 1 -43,-0.2 45,-0.1 1,-0.2 -43,-0.1 -0.441 68.9 -83.2 -84.1 162.2 61.2 24.5 36.3 76 77 A P - 0 0 37 0, 0.0 -1,-0.2 0, 0.0 44,-0.1 -0.173 37.7-116.8 -57.1 166.7 60.3 20.9 35.1 77 78 A S S S+ 0 0 82 -3,-0.1 18,-0.5 42,-0.1 2,-0.4 0.523 98.3 58.5 -88.2 -8.9 57.2 19.3 36.6 78 79 A T S S- 0 0 91 16,-0.1 2,-0.0 15,-0.1 -1,-0.0 -0.971 81.5-128.8-123.0 143.2 59.4 16.6 38.1 79 80 A H - 0 0 18 -2,-0.4 4,-0.1 1,-0.1 -2,-0.1 -0.270 2.8-149.4 -76.6 166.0 62.3 16.9 40.5 80 81 A F S S+ 0 0 47 2,-0.1 -1,-0.1 -2,-0.0 -34,-0.0 0.438 76.3 75.0-114.7 -4.6 65.7 15.3 39.9 81 82 A L S S- 0 0 11 121,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.749 99.5 -83.9-106.4 158.2 66.5 14.7 43.6 82 83 A P - 0 0 30 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.441 42.5-155.9 -69.4 115.8 65.0 12.0 45.8 83 84 A I - 0 0 20 -2,-0.4 2,-0.7 -4,-0.1 71,-0.1 -0.786 5.8-148.3 -92.7 127.7 61.6 13.1 47.3 84 85 A D > - 0 0 6 -2,-0.5 3,-0.7 69,-0.2 4,-0.2 -0.875 9.6-169.7 -93.3 111.9 60.5 11.5 50.6 85 86 A H T 3 S+ 0 0 126 -2,-0.7 3,-0.3 132,-0.2 -1,-0.1 0.535 74.8 69.1 -82.0 -5.6 56.7 11.4 50.4 86 87 A T T 3 S+ 0 0 30 131,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.563 83.5 68.7 -91.0 -10.9 56.2 10.3 54.1 87 88 A I S < S+ 0 0 14 -3,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.689 106.2 33.7 -83.6 -20.5 57.3 13.6 55.8 88 89 A H 0 0 70 -3,-0.3 -1,-0.2 -4,-0.2 407,-0.0 -0.995 360.0 360.0-138.0 130.0 54.3 15.7 54.6 89 90 A H 0 0 189 -2,-0.4 -3,-0.0 -3,-0.1 -4,-0.0 -0.986 360.0 360.0-128.7 360.0 50.7 14.6 54.1 90 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 96 A E 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.0 46.3 16.8 44.8 92 97 A E - 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