==== 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 19-AUG-04 1W6L . 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 . 503 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 25.8 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 . 56 11.1 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 . 13 2.6 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 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 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 0 143 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 168.6 33.3 83.5 -1.7 2 3 A L - 0 0 35 1,-0.1 2,-0.3 38,-0.0 232,-0.0 -0.281 360.0-107.9 -66.7 137.0 30.3 84.9 -3.6 3 4 A E - 0 0 110 1,-0.1 3,-0.4 -2,-0.0 37,-0.1 -0.496 39.3-123.6 -68.8 126.3 30.1 88.7 -4.0 4 5 A K S S+ 0 0 58 -2,-0.3 230,-0.1 1,-0.2 -1,-0.1 -0.349 77.7 11.9 -72.9 141.5 27.3 90.1 -1.8 5 6 A F S S+ 0 0 18 229,-2.6 -1,-0.2 228,-0.1 229,-0.1 0.869 81.1 118.0 70.5 45.9 24.5 92.2 -2.9 6 7 A V + 0 0 30 -3,-0.4 2,-0.4 228,-0.4 -2,-0.1 0.462 61.1 66.5-116.0 -7.6 24.7 91.9 -6.7 7 8 A D S S- 0 0 23 227,-0.4 229,-2.2 226,-0.3 2,-0.1 -0.949 83.1-118.0-118.2 137.2 21.3 90.3 -7.5 8 9 A A B -a 236 0A 52 -2,-0.4 229,-0.2 227,-0.2 -2,-0.1 -0.433 38.6-100.3 -68.8 143.0 17.9 91.9 -7.0 9 10 A L - 0 0 11 227,-2.5 221,-0.1 -2,-0.1 -1,-0.1 -0.498 37.1-130.3 -61.6 117.8 15.6 90.2 -4.5 10 11 A P - 0 0 45 0, 0.0 222,-0.1 0, 0.0 -1,-0.1 -0.456 11.4-150.0 -67.6 142.3 13.0 88.1 -6.3 11 12 A I - 0 0 86 -2,-0.1 3,-0.1 176,-0.1 176,-0.1 -0.967 24.1-125.2-109.1 108.2 9.4 88.7 -5.3 12 13 A P - 0 0 21 0, 0.0 44,-0.1 0, 0.0 2,-0.0 -0.235 27.7-113.2 -55.4 135.0 7.5 85.4 -5.8 13 14 A D - 0 0 136 1,-0.1 45,-1.9 44,-0.0 2,-0.4 -0.400 31.9-106.4 -62.2 151.2 4.5 85.8 -8.0 14 15 A T B -f 58 0B 64 43,-0.2 45,-0.2 1,-0.1 2,-0.1 -0.645 40.0-110.8 -80.2 130.3 1.1 85.3 -6.3 15 16 A L - 0 0 22 43,-3.0 45,-0.3 -2,-0.4 -1,-0.1 -0.425 26.1-140.6 -65.3 135.8 -0.5 82.0 -7.4 16 17 A K - 0 0 179 -2,-0.1 -1,-0.1 43,-0.1 2,-0.0 -0.824 22.0-114.3 -97.0 134.7 -3.6 82.3 -9.6 17 18 A P - 0 0 40 0, 0.0 10,-0.3 0, 0.0 3,-0.2 -0.347 4.6-142.3 -63.6 148.0 -6.4 79.8 -9.0 18 19 A V S S+ 0 0 91 8,-2.4 2,-0.3 1,-0.3 9,-0.2 0.847 93.6 7.6 -72.4 -40.8 -7.4 77.2 -11.6 19 20 A Q E S+G 26 0C 67 7,-1.7 7,-3.1 2,-0.0 -1,-0.3 -0.993 72.0 178.5-138.7 145.9 -11.1 77.9 -10.7 20 21 A Q E +G 25 0C 110 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.953 9.7 152.9-152.7 129.1 -12.6 80.5 -8.4 21 22 A S - 0 0 46 3,-2.4 3,-0.4 -2,-0.3 -2,-0.0 -0.827 60.5 -91.0-133.8 176.9 -16.2 81.3 -7.3 22 23 A K S S+ 0 0 197 -2,-0.3 44,-0.2 1,-0.2 3,-0.1 0.809 126.7 44.5 -58.1 -30.8 -17.7 82.9 -4.2 23 24 A E S S+ 0 0 124 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.661 122.0 14.8 -90.0 -20.5 -18.1 79.4 -2.7 24 25 A K - 0 0 95 -3,-0.4 -3,-2.4 41,-0.1 2,-0.4 -0.974 49.9-155.9-160.3 138.3 -14.7 77.8 -3.5 25 26 A T E -Gh 20 67C 3 41,-2.5 43,-2.8 -2,-0.3 2,-0.5 -0.991 19.4-165.1-118.6 128.8 -11.1 78.6 -4.7 26 27 A Y E +Gh 19 68C 50 -7,-3.1 -8,-2.4 -2,-0.4 -7,-1.7 -0.961 8.1 179.3-122.0 124.5 -9.2 75.8 -6.4 27 28 A Y E - h 0 69C 7 41,-2.6 43,-2.6 -2,-0.5 2,-0.4 -0.875 15.0-153.3-118.1 153.6 -5.4 75.7 -7.0 28 29 A E E - h 0 70C 73 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.997 13.1-179.8-126.9 130.7 -3.0 73.2 -8.5 29 30 A V E - h 0 71C 0 41,-2.4 43,-2.7 -2,-0.4 2,-0.5 -0.993 7.8-163.1-132.6 125.1 0.6 73.1 -7.6 30 31 A T E - h 0 72C 28 -2,-0.4 21,-2.1 41,-0.2 22,-0.6 -0.938 16.5-134.7-113.8 125.9 3.1 70.6 -9.1 31 32 A M E +Ih 50 73C 0 41,-3.2 43,-1.8 -2,-0.5 2,-0.4 -0.622 36.6 173.3 -75.8 125.7 6.5 69.7 -7.7 32 33 A E E -I 49 0C 73 17,-2.5 17,-2.5 -2,-0.4 2,-0.4 -0.985 38.4-118.9-136.6 142.0 9.0 69.7 -10.4 33 34 A E E +I 48 0C 68 41,-0.4 2,-0.3 -2,-0.4 15,-0.2 -0.699 51.2 159.7 -73.6 131.1 12.8 69.4 -10.8 34 35 A C E -I 47 0C 22 13,-2.6 13,-2.9 -2,-0.4 2,-0.4 -0.861 36.2-122.2-145.0 169.4 14.0 72.7 -12.3 35 36 A T E +I 46 0C 90 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.983 30.2 168.0-123.4 139.0 17.2 74.8 -12.6 36 37 A H E -I 45 0C 64 9,-2.3 9,-3.1 -2,-0.4 2,-0.5 -0.996 37.3-113.7-143.3 150.1 17.6 78.4 -11.4 37 38 A Q - 0 0 82 -2,-0.3 3,-0.1 7,-0.3 -2,-0.0 -0.714 23.2-173.0 -84.3 124.8 20.5 80.7 -11.0 38 39 A L S S+ 0 0 1 -2,-0.5 195,-3.0 5,-0.4 2,-0.3 0.563 71.2 15.0 -93.8 -12.8 21.0 81.5 -7.3 39 40 A H S > S- 0 0 0 3,-0.2 3,-2.1 193,-0.2 -1,-0.2 -0.971 78.2-109.6-161.8 149.3 23.7 84.2 -7.9 40 41 A R T 3 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.809 117.0 45.2 -46.3 -41.8 25.1 86.3 -10.7 41 42 A D T 3 S+ 0 0 87 -38,-0.1 -1,-0.3 -3,-0.1 -4,-0.0 0.143 98.5 87.2 -98.5 18.8 28.3 84.3 -10.8 42 43 A L S < S- 0 0 16 -3,-2.1 -3,-0.2 156,-0.1 3,-0.1 -0.905 75.5-118.5-117.0 146.5 27.0 80.7 -10.6 43 44 A P - 0 0 61 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.406 60.9 -71.1 -64.5 158.0 25.8 78.3 -13.2 44 45 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.226 50.9-132.2 -57.6 138.1 22.2 77.3 -12.7 45 46 A T E -I 36 0C 0 -9,-3.1 -9,-2.3 -3,-0.1 2,-0.4 -0.824 12.0-125.4 -96.3 130.5 21.4 75.1 -9.7 46 47 A R E +I 35 0C 109 -2,-0.4 154,-0.4 -11,-0.2 2,-0.3 -0.641 45.4 163.4 -71.1 127.7 19.2 72.0 -10.0 47 48 A L E -I 34 0C 0 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.5 -0.898 42.3-118.3-142.3 165.7 16.3 72.3 -7.4 48 49 A W E +I 33 0C 0 112,-2.3 2,-0.4 -2,-0.3 -15,-0.2 -0.967 43.1 177.1-111.9 121.9 13.0 70.9 -6.5 49 50 A G E > -I 32 0C 0 -17,-2.5 -17,-2.5 -2,-0.5 3,-2.1 -0.976 39.2-111.7-133.9 140.5 10.3 73.6 -6.7 50 51 A Y E > S-IJ 31 53C 0 3,-0.7 3,-1.5 -2,-0.4 -19,-0.2 -0.593 115.4 -3.3 -61.9 123.3 6.5 74.0 -6.3 51 52 A N T 3 S- 0 0 51 -21,-2.1 -1,-0.3 -2,-0.4 -20,-0.2 0.773 132.4 -66.6 47.7 34.5 5.4 74.8 -9.9 52 53 A G T < S+ 0 0 8 -3,-2.1 2,-0.4 -22,-0.6 -1,-0.3 0.716 109.9 119.6 65.3 25.6 9.1 74.7 -10.7 53 54 A L B < -J 50 0C 73 -3,-1.5 -3,-0.7 -19,-0.1 -1,-0.2 -0.918 60.7-126.3-122.5 145.3 9.9 77.8 -8.6 54 55 A F S S+ 0 0 19 -2,-0.4 2,-0.2 -5,-0.2 110,-0.1 -0.949 105.6 24.1-133.9 111.6 12.2 78.3 -5.6 55 56 A P S S- 0 0 9 0, 0.0 109,-0.2 0, 0.0 -1,-0.1 0.630 110.4-118.1 -66.4 172.4 10.6 79.6 -3.5 56 57 A G - 0 0 0 107,-3.0 109,-0.4 105,-0.2 -5,-0.1 -0.138 46.1 -69.4 -67.9 170.9 7.2 78.4 -4.6 57 58 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.302 51.7-109.9 -62.1 144.7 4.5 80.8 -5.5 58 59 A T B -f 14 0B 6 -45,-1.9 -43,-3.0 106,-0.1 2,-0.5 -0.645 29.9-150.5 -73.7 130.6 3.0 83.0 -2.8 59 60 A I E -l 166 0D 0 106,-2.3 108,-2.6 -2,-0.4 2,-0.4 -0.910 10.2-165.5-105.0 130.5 -0.6 82.0 -2.0 60 61 A E E +l 167 0D 76 -2,-0.5 2,-0.3 -45,-0.3 108,-0.2 -0.968 14.5 165.2-119.2 127.9 -2.9 84.7 -0.8 61 62 A V E -l 168 0D 2 106,-2.5 108,-3.1 -2,-0.4 2,-0.3 -0.905 30.9-119.4-134.3 160.9 -6.2 84.0 0.8 62 63 A K E > -l 169 0D 124 -2,-0.3 3,-2.3 106,-0.2 108,-0.2 -0.722 45.6 -87.1 -94.3 154.3 -8.9 85.7 2.9 63 64 A R T 3 S+ 0 0 88 106,-2.2 75,-0.2 -2,-0.3 74,-0.1 -0.349 117.6 12.0 -55.1 134.8 -10.0 84.6 6.3 64 65 A N T 3 S+ 0 0 100 73,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.440 88.2 149.3 69.9 5.2 -12.7 82.0 5.8 65 66 A E < - 0 0 25 -3,-2.3 2,-1.3 72,-0.3 -1,-0.3 -0.487 52.6-125.1 -69.0 135.5 -12.0 81.6 2.1 66 67 A N - 0 0 53 -44,-0.2 -41,-2.5 -2,-0.2 2,-0.4 -0.684 42.0-178.2 -89.9 92.3 -12.9 78.0 1.2 67 68 A V E -hK 25 135C 0 68,-2.0 68,-3.1 -2,-1.3 2,-0.4 -0.769 19.6-174.7-105.4 138.8 -9.6 76.9 -0.4 68 69 A Y E -hK 26 134C 56 -43,-2.8 -41,-2.6 -2,-0.4 2,-0.4 -0.987 3.4-171.5-122.2 138.1 -8.5 73.7 -2.1 69 70 A V E -hK 27 133C 0 64,-2.3 64,-2.6 -2,-0.4 2,-1.0 -0.982 13.8-153.3-128.0 121.3 -5.0 72.9 -3.3 70 71 A K E -hK 28 132C 50 -43,-2.6 -41,-2.4 -2,-0.4 2,-0.6 -0.821 18.0-162.7 -88.3 103.9 -4.2 69.8 -5.4 71 72 A W E -h 29 0C 3 -2,-1.0 2,-0.4 60,-0.7 -41,-0.2 -0.798 11.8-169.2 -89.1 122.9 -0.5 69.2 -4.5 72 73 A M E -h 30 0C 33 -43,-2.7 -41,-3.2 -2,-0.6 2,-0.7 -0.896 22.0-138.3-122.0 139.9 1.1 66.9 -7.1 73 74 A N E +h 31 0C 2 -2,-0.4 47,-2.3 45,-0.3 48,-0.2 -0.882 34.4 153.5 -94.0 112.6 4.4 65.1 -7.3 74 75 A N + 0 0 82 -43,-1.8 -41,-0.4 -2,-0.7 -1,-0.1 -0.157 37.2 127.8-123.3 35.0 6.0 65.3 -10.8 75 76 A L - 0 0 0 -43,-0.2 44,-0.1 1,-0.2 -43,-0.1 -0.408 69.4 -81.6 -83.9 160.6 9.5 64.9 -9.5 76 77 A P - 0 0 37 0, 0.0 -1,-0.2 0, 0.0 43,-0.1 -0.207 37.9-116.7 -55.4 157.7 12.1 62.4 -10.7 77 78 A S S S+ 0 0 85 -3,-0.1 17,-0.5 16,-0.1 2,-0.4 0.594 99.1 55.8 -75.2 -13.6 11.8 58.8 -9.3 78 79 A T S S- 0 0 91 15,-0.1 2,-0.1 14,-0.1 -1,-0.0 -0.955 82.0-127.7-121.2 146.2 15.3 59.3 -7.7 79 80 A H - 0 0 20 -2,-0.4 4,-0.1 2,-0.1 -2,-0.1 -0.321 2.2-148.8 -78.2 165.3 16.5 62.0 -5.3 80 81 A F S S+ 0 0 46 -2,-0.1 -1,-0.1 2,-0.1 -34,-0.0 0.434 76.4 73.6-113.7 -5.7 19.6 64.0 -5.9 81 82 A L S S- 0 0 12 120,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.750 98.6 -83.4-105.6 160.6 20.5 64.5 -2.2 82 83 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.468 41.3-155.4 -73.6 115.7 22.0 61.8 0.1 83 84 A I - 0 0 20 -2,-0.4 2,-0.8 -4,-0.1 70,-0.1 -0.747 6.5-148.0 -91.6 124.7 19.3 59.5 1.6 84 85 A D > - 0 0 7 -2,-0.5 3,-0.7 68,-0.2 4,-0.2 -0.854 11.4-170.7 -87.2 109.7 20.2 57.7 4.9 85 86 A H T 3 S+ 0 0 135 -2,-0.8 3,-0.2 131,-0.2 -1,-0.1 0.448 73.8 68.4 -81.9 -0.7 18.3 54.4 4.7 86 87 A T T 3 S+ 0 0 51 1,-0.2 -1,-0.2 0, 0.0 131,-0.0 0.515 81.8 71.5 -94.8 -8.7 18.9 53.4 8.3 87 88 A I < 0 0 11 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.635 360.0 360.0 -86.9 -14.0 16.8 55.9 10.1 88 89 A H 0 0 132 -3,-0.2 -1,-0.1 -4,-0.2 406,-0.0 -0.996 360.0 360.0-130.3 360.0 13.4 54.5 9.1 89 ! 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 90 96 A E 0 0 231 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.9 9.2 48.1 -1.6 91 97 A E - 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