==== 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 24-AUG-04 1W6W . 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 . 502 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 63.5 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 . 129 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 . 64 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.0 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 4 4 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 0 146 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 169.0 17.9 4.8 -1.4 2 3 A L - 0 0 35 1,-0.1 2,-0.3 38,-0.0 231,-0.0 -0.364 360.0-103.9 -69.7 140.3 20.7 3.5 -3.6 3 4 A E > - 0 0 105 -2,-0.1 3,-0.5 1,-0.1 37,-0.2 -0.496 39.8-124.8 -73.9 128.2 21.0 -0.2 -3.9 4 5 A K T 3 S+ 0 0 43 -2,-0.3 229,-0.1 1,-0.2 -1,-0.1 -0.378 77.3 12.5 -76.8 141.8 23.7 -1.7 -1.8 5 6 A F T 3 S+ 0 0 17 228,-2.6 -1,-0.2 227,-0.1 228,-0.1 0.832 81.9 117.5 69.4 43.0 26.6 -3.9 -2.9 6 7 A V < + 0 0 32 -3,-0.5 2,-0.4 227,-0.4 -2,-0.1 0.582 61.6 64.0-112.2 -14.1 26.3 -3.5 -6.7 7 8 A D S S- 0 0 24 225,-0.4 228,-2.3 226,-0.3 2,-0.1 -0.899 83.9-117.6-111.0 139.0 29.7 -1.8 -7.5 8 9 A A B -a 235 0A 51 -2,-0.4 228,-0.2 226,-0.2 -2,-0.1 -0.412 39.1 -98.4 -66.5 144.6 33.0 -3.5 -6.9 9 10 A L - 0 0 11 226,-2.6 220,-0.1 -2,-0.1 -1,-0.1 -0.489 38.5-130.4 -63.9 119.6 35.4 -1.8 -4.4 10 11 A P - 0 0 47 0, 0.0 221,-0.1 0, 0.0 -1,-0.1 -0.483 11.5-151.7 -68.4 143.4 38.0 0.3 -6.2 11 12 A I - 0 0 89 -2,-0.1 3,-0.1 175,-0.1 175,-0.1 -0.974 22.9-127.5-111.0 107.1 41.6 -0.2 -5.2 12 13 A P - 0 0 23 0, 0.0 44,-0.1 0, 0.0 3,-0.0 -0.280 27.2-112.6 -56.2 130.8 43.4 3.1 -5.8 13 14 A D - 0 0 134 1,-0.1 45,-2.1 44,-0.0 2,-0.4 -0.333 31.8-105.4 -54.2 150.9 46.5 2.6 -8.0 14 15 A T B -f 58 0B 64 43,-0.2 45,-0.2 -3,-0.1 -1,-0.1 -0.695 40.1-111.5 -82.1 127.5 49.8 3.2 -6.3 15 16 A L - 0 0 21 43,-2.8 45,-0.3 -2,-0.4 -1,-0.1 -0.370 26.5-140.7 -58.1 133.9 51.4 6.5 -7.4 16 17 A K - 0 0 181 -2,-0.1 -1,-0.0 43,-0.1 -3,-0.0 -0.852 22.8-111.6 -97.1 137.2 54.5 6.2 -9.6 17 18 A P - 0 0 41 0, 0.0 10,-0.2 0, 0.0 3,-0.2 -0.286 5.9-141.5 -62.4 146.5 57.3 8.6 -9.0 18 19 A V S S+ 0 0 74 8,-2.5 2,-0.3 1,-0.4 9,-0.2 0.864 94.3 5.0 -73.2 -40.8 58.2 11.3 -11.6 19 20 A Q E S+G 26 0C 142 7,-1.7 7,-3.3 2,-0.0 -1,-0.4 -0.983 72.4 179.8-138.7 151.5 61.9 10.6 -10.6 20 21 A Q E +G 25 0C 120 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -1.000 9.7 153.7-152.6 132.9 63.4 8.1 -8.3 21 22 A S - 0 0 58 3,-2.5 3,-0.2 -2,-0.4 -2,-0.0 -0.839 59.4 -91.0-139.3 178.5 67.0 7.2 -7.3 22 23 A K S S+ 0 0 203 -2,-0.3 44,-0.2 1,-0.2 3,-0.1 0.846 126.8 43.5 -59.7 -34.9 68.6 5.7 -4.2 23 24 A E S S+ 0 0 127 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.703 122.5 16.7 -85.4 -21.2 69.0 9.1 -2.7 24 25 A K - 0 0 111 -3,-0.2 -3,-2.5 41,-0.1 2,-0.4 -0.990 48.9-156.7-158.6 140.1 65.6 10.6 -3.6 25 26 A T E -Gh 20 67C 3 41,-2.7 43,-2.8 -2,-0.3 2,-0.5 -0.989 18.7-166.5-121.5 130.8 62.0 10.0 -4.6 26 27 A Y E +Gh 19 68C 51 -7,-3.3 -8,-2.5 -2,-0.4 -7,-1.7 -0.949 7.7 177.8-124.9 121.9 60.0 12.7 -6.3 27 28 A Y E - h 0 69C 7 41,-3.0 43,-2.6 -2,-0.5 2,-0.4 -0.832 14.4-154.7-116.4 153.9 56.3 12.8 -6.9 28 29 A E E - h 0 70C 69 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.999 12.0-179.0-128.5 133.2 53.9 15.3 -8.4 29 30 A V E - h 0 71C 1 41,-2.3 43,-2.6 -2,-0.4 2,-0.5 -0.993 7.9-162.0-132.7 127.8 50.2 15.4 -7.5 30 31 A T E - h 0 72C 29 -2,-0.4 21,-1.9 41,-0.2 22,-0.6 -0.932 16.3-134.7-116.0 124.7 47.8 17.9 -9.0 31 32 A M E +Ih 50 73C 0 41,-3.4 43,-1.8 -2,-0.5 2,-0.3 -0.595 37.0 173.2 -74.8 123.1 44.4 18.7 -7.5 32 33 A E E -I 49 0C 72 17,-2.9 17,-2.8 -2,-0.4 2,-0.3 -0.980 38.8-118.3-134.8 145.3 41.8 18.7 -10.3 33 34 A E E +I 48 0C 69 41,-0.4 2,-0.3 -2,-0.3 15,-0.2 -0.661 51.9 159.4 -74.8 134.9 38.1 19.0 -10.7 34 35 A C E -I 47 0C 22 13,-2.6 13,-2.9 -2,-0.3 2,-0.4 -0.890 37.0-119.6-150.5 170.7 37.0 15.7 -12.2 35 36 A T E +I 46 0C 89 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.991 29.8 171.1-124.9 135.0 33.8 13.6 -12.5 36 37 A H E -I 45 0C 57 9,-2.2 9,-3.1 -2,-0.4 2,-0.5 -1.000 34.7-119.5-138.8 145.7 33.4 10.0 -11.2 37 38 A Q - 0 0 82 -2,-0.3 3,-0.1 7,-0.3 -2,-0.0 -0.721 23.2-173.3 -83.4 126.9 30.5 7.7 -10.9 38 39 A L + 0 0 2 -2,-0.5 194,-3.1 5,-0.4 2,-0.3 0.536 69.4 17.6 -97.0 -13.0 30.0 6.9 -7.3 39 40 A H S > S- 0 0 0 3,-0.2 3,-2.2 192,-0.2 -1,-0.3 -0.963 77.6-112.7-159.9 142.4 27.3 4.2 -7.8 40 41 A R T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.809 117.0 47.4 -39.0 -42.6 26.0 2.1 -10.7 41 42 A D T 3 S+ 0 0 86 -38,-0.1 -1,-0.3 -3,-0.1 -4,-0.0 0.211 98.0 85.5 -95.6 14.4 22.7 4.1 -10.6 42 43 A L S < S- 0 0 15 -3,-2.2 -3,-0.2 155,-0.1 3,-0.1 -0.881 76.6-116.9-114.3 148.2 24.0 7.7 -10.5 43 44 A P - 0 0 61 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.416 62.1 -72.3 -61.8 153.5 25.1 10.2 -13.1 44 45 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.223 51.6-130.0 -52.0 138.5 28.8 11.0 -12.7 45 46 A T E -I 36 0C 0 -9,-3.1 -9,-2.2 -3,-0.1 2,-0.4 -0.795 12.0-126.2 -97.9 130.1 29.6 13.2 -9.6 46 47 A R E +I 35 0C 110 -2,-0.4 153,-0.4 -11,-0.2 2,-0.3 -0.680 46.5 160.8 -73.3 128.1 31.7 16.4 -9.9 47 48 A L E -I 34 0C 0 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.5 -0.901 43.2-114.9-143.2 164.2 34.5 16.2 -7.4 48 49 A W E +I 33 0C 0 111,-2.3 2,-0.4 -2,-0.3 -15,-0.2 -0.946 43.2 176.9-106.1 129.2 37.9 17.5 -6.5 49 50 A G E > -I 32 0C 0 -17,-2.8 -17,-2.9 -2,-0.5 3,-1.9 -0.981 38.6-112.8-139.0 143.4 40.6 14.9 -6.6 50 51 A Y E > S-IJ 31 53C 0 3,-0.7 3,-1.6 -2,-0.4 -19,-0.2 -0.608 114.8 -1.7 -67.0 126.9 44.4 14.5 -6.3 51 52 A N T 3 S- 0 0 55 -21,-1.9 -1,-0.3 -2,-0.4 -20,-0.2 0.701 132.6 -67.4 48.0 29.7 45.5 13.6 -9.8 52 53 A G T < S+ 0 0 7 -3,-1.9 2,-0.3 -22,-0.6 -1,-0.3 0.687 109.4 122.4 72.1 22.2 41.9 13.9 -10.7 53 54 A L B < -J 50 0C 75 -3,-1.6 -3,-0.7 -19,-0.1 -1,-0.3 -0.888 60.2-124.6-123.5 146.7 41.1 10.8 -8.6 54 55 A F S S+ 0 0 19 -2,-0.3 2,-0.2 -5,-0.2 109,-0.1 -0.936 105.7 21.9-133.6 109.2 38.8 10.0 -5.7 55 56 A P S S- 0 0 8 0, 0.0 108,-0.2 0, 0.0 3,-0.1 0.624 110.3-114.6 -67.8 175.2 40.3 8.9 -3.5 56 57 A G - 0 0 0 106,-2.8 108,-0.5 104,-0.2 -5,-0.1 -0.124 47.0 -72.7 -66.9 168.6 43.7 10.1 -4.5 57 58 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.298 51.0-110.2 -61.2 149.4 46.4 7.7 -5.5 58 59 A T B -f 14 0B 6 -45,-2.1 -43,-2.8 105,-0.1 2,-0.5 -0.686 29.3-150.6 -83.1 129.6 47.9 5.6 -2.8 59 60 A I E -l 165 0D 0 105,-2.1 107,-2.8 -2,-0.4 2,-0.4 -0.903 10.6-167.2-103.9 130.2 51.5 6.5 -2.0 60 61 A E E +l 166 0D 73 -2,-0.5 2,-0.3 -45,-0.3 107,-0.2 -0.980 14.5 162.6-120.4 128.4 53.8 3.8 -0.8 61 62 A V E -l 167 0D 2 105,-2.4 107,-2.9 -2,-0.4 2,-0.3 -0.894 32.3-115.8-136.3 163.2 57.2 4.5 0.7 62 63 A K E > -l 168 0D 133 -2,-0.3 3,-2.2 105,-0.2 107,-0.2 -0.697 45.3 -86.4 -96.3 157.7 59.8 2.8 2.8 63 64 A R T 3 S+ 0 0 87 105,-2.0 74,-0.2 1,-0.3 73,-0.1 -0.362 117.3 12.2 -59.0 137.5 60.9 3.9 6.2 64 65 A N T 3 S+ 0 0 99 72,-3.0 -1,-0.3 1,-0.2 2,-0.2 0.493 89.1 149.0 64.5 8.6 63.6 6.5 5.9 65 66 A E < - 0 0 31 -3,-2.2 2,-1.1 71,-0.3 -1,-0.2 -0.557 52.4-125.1 -74.0 139.6 62.9 6.9 2.2 66 67 A N - 0 0 54 -2,-0.2 -41,-2.7 -44,-0.2 2,-0.4 -0.731 41.2-178.1 -94.8 96.5 63.7 10.4 1.2 67 68 A V E -hK 25 134C 0 67,-2.2 67,-3.4 -2,-1.1 2,-0.4 -0.819 18.9-173.8-114.5 140.6 60.5 11.6 -0.4 68 69 A Y E -hK 26 133C 53 -43,-2.8 -41,-3.0 -2,-0.4 2,-0.4 -0.982 3.4-172.7-126.6 134.3 59.4 14.8 -2.1 69 70 A V E -hK 27 132C 0 63,-2.3 63,-2.6 -2,-0.4 2,-1.0 -0.958 14.2-154.4-130.1 120.7 55.9 15.7 -3.3 70 71 A K E -hK 28 131C 51 -43,-2.6 -41,-2.3 -2,-0.4 2,-0.5 -0.800 17.3-162.9 -88.0 104.2 55.0 18.7 -5.3 71 72 A W E -h 29 0C 2 -2,-1.0 2,-0.4 59,-0.8 -41,-0.2 -0.810 11.6-168.6 -90.7 121.4 51.3 19.3 -4.4 72 73 A M E -h 30 0C 32 -43,-2.6 -41,-3.4 -2,-0.5 2,-0.7 -0.897 21.3-138.3-119.7 139.4 49.7 21.6 -7.0 73 74 A N E +h 31 0C 2 -2,-0.4 46,-2.1 44,-0.3 47,-0.1 -0.878 34.7 154.0 -92.7 108.1 46.4 23.4 -7.1 74 75 A N + 0 0 80 -43,-1.8 -41,-0.4 -2,-0.7 -1,-0.1 -0.136 36.2 128.7-118.8 36.1 44.9 23.2 -10.6 75 76 A L - 0 0 0 1,-0.2 43,-0.1 -43,-0.2 -43,-0.1 -0.405 69.2 -83.2 -81.9 161.3 41.4 23.6 -9.3 76 77 A P - 0 0 37 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 -0.172 38.9-114.9 -56.2 161.7 38.8 26.1 -10.6 77 78 A S S S+ 0 0 87 -3,-0.1 16,-0.5 15,-0.1 15,-0.4 0.545 98.7 54.8 -84.1 -8.6 39.0 29.6 -9.2 78 79 A T S S- 0 0 91 14,-0.1 2,-0.1 13,-0.1 -1,-0.0 -0.981 81.9-125.5-125.3 148.2 35.6 29.2 -7.5 79 80 A H - 0 0 20 -2,-0.4 4,-0.1 2,-0.1 -2,-0.1 -0.283 3.0-151.1 -77.9 164.2 34.3 26.5 -5.1 80 81 A F S S+ 0 0 45 2,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.490 75.7 73.7-113.4 -5.0 31.2 24.4 -5.7 81 82 A L S S- 0 0 11 119,-0.1 2,-0.5 1,-0.0 -2,-0.1 -0.691 99.7 -82.8-103.8 161.6 30.3 23.8 -2.0 82 83 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.485 41.9-159.2 -75.4 116.1 28.8 26.5 0.3 83 84 A I - 0 0 22 -2,-0.5 2,-0.7 -4,-0.1 69,-0.1 -0.775 4.5-154.6 -95.1 130.3 31.4 28.9 1.8 84 85 A D > - 0 0 6 -2,-0.4 3,-0.9 67,-0.2 4,-0.2 -0.912 7.5-172.2-102.5 109.5 30.5 30.8 4.9 85 86 A H G > S+ 0 0 133 -2,-0.7 3,-0.6 1,-0.2 -1,-0.1 0.611 72.9 76.7 -80.6 -8.5 32.6 34.0 5.0 86 87 A T G 3 S+ 0 0 51 1,-0.2 -1,-0.2 131,-0.0 130,-0.0 0.640 84.8 64.0 -73.7 -14.0 31.5 35.0 8.5 87 88 A I G < 0 0 13 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.661 360.0 360.0 -84.6 -20.1 33.8 32.4 10.2 88 89 A H < 0 0 123 -3,-0.6 -1,-0.2 -4,-0.2 405,-0.0 -0.966 360.0 360.0-122.6 360.0 37.1 33.8 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 97 A E 0 0 149 0, 0.0 4,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 146.0 42.2 36.5 -0.7 91 98 A P - 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