==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-SEP-09 2WSD . COMPND 2 MOLECULE: SPORE COAT PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR C.S.SILVA,P.DURAO,Z.CHEN,C.M.SOARES,M.M.PEREIRA,S.TODOROVIC, . 505 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 63.0 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 . 64 12.7 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 0.000 360.0 360.0 360.0 165.8 -12.9 12.9 -24.5 2 3 A L - 0 0 37 1,-0.1 2,-0.2 38,-0.0 40,-0.0 -0.337 360.0-103.4 -64.0 137.4 -13.3 16.1 -26.6 3 4 A E - 0 0 109 1,-0.1 3,-0.4 -2,-0.0 37,-0.2 -0.440 40.9-124.4 -66.1 127.3 -10.1 18.2 -27.0 4 5 A K S S+ 0 0 53 -2,-0.2 231,-0.1 1,-0.2 -1,-0.1 -0.418 78.1 11.2 -75.9 143.3 -10.3 21.2 -24.7 5 6 A F S S+ 0 0 19 230,-2.5 -1,-0.2 229,-0.2 230,-0.1 0.884 81.8 118.7 67.3 46.7 -9.9 24.8 -25.9 6 7 A V + 0 0 32 -3,-0.4 2,-0.4 229,-0.4 -2,-0.1 0.491 61.4 65.5-116.5 -8.5 -10.1 24.4 -29.7 7 8 A D S S- 0 0 24 228,-0.4 230,-2.1 227,-0.3 2,-0.1 -0.951 83.7-118.5-116.9 135.2 -13.2 26.5 -30.4 8 9 A A B -a 237 0A 52 -2,-0.4 230,-0.2 228,-0.2 -2,-0.1 -0.424 38.7-100.3 -67.5 143.9 -13.4 30.3 -29.9 9 10 A L - 0 0 13 228,-2.7 2,-0.1 -2,-0.1 222,-0.1 -0.499 36.6-132.2 -64.8 120.8 -16.0 31.5 -27.3 10 11 A P - 0 0 44 0, 0.0 223,-0.1 0, 0.0 -1,-0.1 -0.503 11.5-153.7 -68.8 145.7 -19.2 32.7 -29.1 11 12 A I - 0 0 84 -2,-0.1 177,-0.1 177,-0.1 47,-0.0 -0.959 24.4-124.2-118.7 108.0 -20.5 36.0 -28.0 12 13 A P - 0 0 23 0, 0.0 44,-0.1 0, 0.0 3,-0.0 -0.211 27.0-113.2 -54.8 138.8 -24.3 36.1 -28.7 13 14 A D - 0 0 138 1,-0.1 45,-1.8 44,-0.0 2,-0.4 -0.355 33.8-104.0 -64.7 151.9 -25.3 39.1 -30.8 14 15 A T B -f 58 0B 62 43,-0.2 45,-0.2 1,-0.1 -1,-0.1 -0.670 40.9-110.5 -79.3 130.1 -27.5 41.7 -29.2 15 16 A L - 0 0 22 43,-2.8 45,-0.3 -2,-0.4 -1,-0.1 -0.332 26.4-140.0 -62.5 137.0 -31.1 41.4 -30.3 16 17 A K - 0 0 174 43,-0.1 -1,-0.1 1,-0.0 -3,-0.0 -0.842 22.8-112.6 -98.3 136.4 -32.5 44.2 -32.5 17 18 A P - 0 0 41 0, 0.0 10,-0.3 0, 0.0 3,-0.2 -0.293 6.5-142.2 -64.0 149.1 -36.0 45.4 -31.9 18 19 A V S S+ 0 0 77 8,-2.4 2,-0.3 1,-0.3 9,-0.2 0.868 93.1 6.7 -72.3 -42.4 -38.7 44.9 -34.5 19 20 A Q E S-G 26 0C 138 7,-1.8 7,-3.2 2,-0.0 -1,-0.3 -0.996 72.8-180.0-138.1 145.0 -40.1 48.3 -33.6 20 21 A Q E +G 25 0C 116 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.968 9.3 156.4-149.4 132.5 -38.7 51.0 -31.3 21 22 A S - 0 0 60 3,-2.6 3,-0.1 -2,-0.3 -2,-0.0 -0.790 58.5 -93.5-131.4 178.9 -39.8 54.5 -30.3 22 23 A K S S+ 0 0 197 -2,-0.3 44,-0.2 1,-0.2 3,-0.1 0.810 126.8 42.8 -60.4 -29.9 -39.0 56.7 -27.2 23 24 A E S S+ 0 0 129 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.687 122.2 20.6 -93.2 -22.4 -42.2 55.3 -25.6 24 25 A K - 0 0 102 -3,-0.1 -3,-2.6 41,-0.1 2,-0.5 -0.983 51.1-159.1-155.3 133.7 -42.0 51.6 -26.5 25 26 A T E -Gh 20 67C 4 41,-2.6 43,-2.5 -2,-0.3 2,-0.5 -0.982 19.6-164.9-114.3 126.5 -39.4 48.9 -27.5 26 27 A Y E -Gh 19 68C 36 -7,-3.2 -8,-2.4 -2,-0.5 -7,-1.8 -0.954 8.0-179.8-120.4 121.5 -40.9 45.8 -29.2 27 28 A Y E - h 0 69C 7 41,-2.9 43,-2.7 -2,-0.5 2,-0.4 -0.848 13.8-156.2-113.6 152.4 -39.1 42.5 -29.8 28 29 A E E + h 0 70C 75 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.998 12.9 179.7-125.6 131.5 -40.1 39.2 -31.4 29 30 A V E - h 0 71C 1 41,-2.5 43,-3.2 -2,-0.4 2,-0.5 -0.985 8.0-163.2-134.5 124.7 -38.4 36.0 -30.4 30 31 A T E - h 0 72C 32 -2,-0.4 21,-2.1 41,-0.2 22,-0.5 -0.929 17.6-132.5-115.8 124.5 -39.3 32.7 -32.0 31 32 A M E +Ih 50 73C 0 41,-3.5 43,-1.8 -2,-0.5 2,-0.3 -0.615 37.0 174.9 -75.0 125.5 -38.4 29.3 -30.5 32 33 A E E -I 49 0C 59 17,-2.5 17,-2.7 -2,-0.4 2,-0.6 -0.975 35.6-124.5-134.6 144.4 -37.0 27.1 -33.3 33 34 A E E +I 48 0C 48 41,-0.4 2,-0.3 -2,-0.3 15,-0.2 -0.817 49.0 154.3 -87.5 125.5 -35.4 23.6 -33.6 34 35 A X E -I 47 0C 68 13,-2.1 13,-3.0 -2,-0.6 2,-0.4 -0.869 39.4-116.8-143.0 168.8 -32.0 24.1 -35.3 35 36 A T E +I 46 0C 89 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.945 30.8 171.3-117.0 142.6 -28.7 22.4 -35.5 36 37 A H E -I 45 0C 65 9,-1.9 9,-3.1 -2,-0.4 2,-0.4 -0.994 35.9-114.0-145.7 145.6 -25.4 23.9 -34.4 37 38 A Q - 0 0 83 -2,-0.3 3,-0.1 7,-0.3 162,-0.0 -0.685 24.5-173.3 -80.9 128.2 -21.9 22.5 -33.9 38 39 A L S S+ 0 0 2 -2,-0.4 196,-3.1 5,-0.4 2,-0.3 0.553 70.3 15.8 -97.9 -13.7 -20.9 22.5 -30.2 39 40 A H S > S- 0 0 0 3,-0.2 3,-1.9 194,-0.2 -1,-0.3 -0.970 78.4-110.8-158.8 147.3 -17.3 21.4 -30.7 40 41 A R T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.807 117.3 45.2 -44.2 -39.5 -14.8 21.3 -33.6 41 42 A D T 3 S+ 0 0 87 -38,-0.1 -1,-0.3 2,-0.1 -4,-0.0 0.232 98.6 86.8-100.8 12.4 -14.8 17.5 -33.6 42 43 A L S < S- 0 0 14 -3,-1.9 -3,-0.2 157,-0.1 156,-0.1 -0.866 76.8-116.7-113.5 145.5 -18.6 16.9 -33.3 43 44 A P - 0 0 57 0, 0.0 -5,-0.4 0, 0.0 -7,-0.1 -0.418 60.2 -74.1 -65.5 155.3 -21.3 16.6 -36.0 44 45 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.226 52.0-131.1 -56.4 143.8 -23.9 19.4 -35.6 45 46 A T E -I 36 0C 0 -9,-3.1 -9,-1.9 -3,-0.1 2,-0.4 -0.826 10.9-122.6-103.5 130.8 -26.3 19.0 -32.6 46 47 A R E +I 35 0C 125 -2,-0.4 155,-0.4 -11,-0.2 2,-0.3 -0.602 46.9 165.2 -69.2 126.4 -30.1 19.3 -32.8 47 48 A L E -I 34 0C 2 -13,-3.0 -13,-2.1 -2,-0.4 2,-0.5 -0.886 40.1-123.5-138.7 163.3 -31.1 22.0 -30.3 48 49 A W E +I 33 0C 0 113,-2.4 2,-0.4 -2,-0.3 -15,-0.2 -0.980 41.8 174.2-110.3 126.1 -34.1 24.2 -29.4 49 50 A G E > -I 32 0C 2 -17,-2.7 -17,-2.5 -2,-0.5 3,-2.2 -0.982 40.9-109.1-138.5 145.7 -33.1 27.9 -29.4 50 51 A Y E > S-IJ 31 53C 0 3,-0.7 3,-1.7 112,-0.4 -19,-0.2 -0.591 117.4 -1.2 -65.9 123.9 -34.6 31.3 -29.1 51 52 A N T 3 S- 0 0 62 -21,-2.1 -1,-0.3 -2,-0.4 -20,-0.2 0.762 132.1 -70.1 54.3 26.8 -34.5 32.7 -32.7 52 53 A G T < S+ 0 0 6 -3,-2.2 2,-0.3 -22,-0.5 -1,-0.3 0.638 108.4 122.3 68.8 19.0 -32.9 29.3 -33.4 53 54 A L B < -J 50 0C 78 -3,-1.7 -3,-0.7 -19,-0.0 -1,-0.2 -0.863 60.7-123.9-113.1 145.7 -29.7 30.3 -31.5 54 55 A F S S+ 0 0 21 -2,-0.3 2,-0.2 -5,-0.2 111,-0.1 -0.956 105.7 22.8-132.2 112.7 -28.0 28.6 -28.5 55 56 A P S S- 0 0 7 0, 0.0 110,-0.2 0, 0.0 3,-0.1 0.643 111.1-116.4 -67.4 171.2 -27.8 30.5 -26.3 56 57 A G - 0 0 0 108,-3.1 110,-0.5 106,-0.2 -5,-0.1 -0.125 46.8 -67.2 -65.0 171.4 -30.5 32.9 -27.4 57 58 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.279 53.6-111.4 -59.1 141.8 -29.7 36.5 -28.4 58 59 A T B -f 14 0B 5 -45,-1.8 -43,-2.8 107,-0.1 2,-0.5 -0.654 30.6-148.9 -73.1 129.6 -28.5 38.8 -25.6 59 60 A I E -l 167 0D 0 107,-2.5 109,-2.8 -2,-0.4 2,-0.5 -0.905 11.6-166.7-102.9 126.9 -31.2 41.4 -24.9 60 61 A E E +l 168 0D 76 -2,-0.5 2,-0.3 -45,-0.3 109,-0.2 -0.968 13.8 166.1-117.4 129.0 -29.9 44.8 -23.7 61 62 A V E -l 169 0D 2 107,-2.5 109,-3.1 -2,-0.5 2,-0.3 -0.919 31.5-117.8-135.4 159.1 -32.3 47.3 -22.1 62 63 A K E > -l 170 0D 127 -2,-0.3 3,-2.4 107,-0.2 109,-0.2 -0.695 45.8 -88.5 -91.8 151.4 -32.1 50.5 -20.1 63 64 A R T 3 S+ 0 0 90 107,-2.3 76,-0.2 -2,-0.3 75,-0.1 -0.358 118.1 13.3 -52.8 136.2 -33.5 50.9 -16.6 64 65 A N T 3 S+ 0 0 99 74,-2.9 -1,-0.3 1,-0.2 2,-0.2 0.465 88.8 151.3 68.8 4.1 -37.2 52.0 -17.0 65 66 A E < - 0 0 28 -3,-2.4 2,-1.4 73,-0.3 -1,-0.2 -0.509 51.4-126.4 -67.0 130.7 -37.2 51.1 -20.7 66 67 A N - 0 0 55 -44,-0.2 -41,-2.6 -2,-0.2 2,-0.3 -0.646 42.5-178.7 -83.4 89.5 -40.7 50.2 -21.7 67 68 A V E -hK 25 136C 0 69,-2.1 69,-3.1 -2,-1.4 2,-0.4 -0.736 19.0-174.5-104.4 140.3 -40.0 46.8 -23.3 68 69 A Y E -hK 26 135C 46 -43,-2.5 -41,-2.9 -2,-0.3 2,-0.4 -0.990 2.5-171.0-125.5 136.3 -42.3 44.2 -24.9 69 70 A V E -hK 27 134C 0 65,-2.4 65,-2.5 -2,-0.4 2,-1.1 -0.977 13.6-154.5-128.3 120.4 -41.3 40.7 -26.1 70 71 A K E -hK 28 133C 48 -43,-2.7 -41,-2.5 -2,-0.4 2,-0.6 -0.819 18.7-162.0 -87.9 99.1 -43.6 38.5 -28.2 71 72 A W E -h 29 0C 3 -2,-1.1 2,-0.3 61,-0.8 -41,-0.2 -0.778 12.7-167.6 -84.6 121.6 -42.2 35.1 -27.3 72 73 A M E -h 30 0C 33 -43,-3.2 -41,-3.5 -2,-0.6 2,-0.6 -0.866 20.4-138.7-119.7 145.6 -43.3 32.6 -29.9 73 74 A N E +h 31 0C 2 -2,-0.3 48,-2.0 46,-0.3 49,-0.2 -0.905 33.6 153.5-101.2 112.7 -43.3 28.8 -30.2 74 75 A N + 0 0 68 -43,-1.8 -41,-0.4 -2,-0.6 -1,-0.1 -0.159 36.7 130.2-123.3 38.4 -42.4 27.4 -33.6 75 76 A L - 0 0 1 -43,-0.2 45,-0.1 1,-0.2 -43,-0.1 -0.442 66.6 -86.4 -88.8 160.8 -41.1 24.1 -32.3 76 77 A P - 0 0 38 0, 0.0 -1,-0.2 0, 0.0 44,-0.1 -0.218 36.1-117.6 -59.5 159.5 -41.9 20.6 -33.5 77 78 A S S S+ 0 0 83 17,-0.1 18,-0.5 42,-0.1 2,-0.4 0.550 97.7 59.9 -78.3 -8.2 -45.0 19.0 -32.0 78 79 A T S S- 0 0 94 16,-0.1 2,-0.1 15,-0.1 -1,-0.0 -0.975 82.8-126.6-122.4 136.9 -42.9 16.2 -30.5 79 80 A H - 0 0 18 -2,-0.4 4,-0.1 1,-0.1 -2,-0.1 -0.343 3.0-150.4 -72.6 157.7 -40.0 16.6 -28.0 80 81 A F S S+ 0 0 59 2,-0.1 -1,-0.1 -2,-0.1 -34,-0.0 0.457 79.1 71.5-104.2 -7.0 -36.6 15.1 -28.7 81 82 A L S S- 0 0 10 121,-0.1 2,-0.5 1,-0.0 -2,-0.1 -0.756 100.9 -86.2-105.6 156.8 -35.8 14.5 -25.0 82 83 A P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.482 40.7-154.3 -73.1 117.1 -37.5 11.9 -22.8 83 84 A I - 0 0 18 -2,-0.5 2,-0.7 -4,-0.1 71,-0.1 -0.758 6.0-146.7 -89.8 129.7 -40.8 13.1 -21.3 84 85 A D > - 0 0 6 -2,-0.4 3,-0.7 69,-0.3 4,-0.2 -0.873 11.5-171.0 -92.2 113.3 -41.9 11.5 -18.0 85 86 A H T 3 S+ 0 0 127 -2,-0.7 3,-0.3 132,-0.2 -1,-0.1 0.500 74.2 69.5 -83.9 -3.4 -45.7 11.4 -18.2 86 87 A T T 3 S+ 0 0 28 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.560 82.0 70.3 -92.6 -9.2 -46.2 10.3 -14.6 87 88 A I S < S+ 0 0 8 -3,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.591 103.4 36.1 -89.7 -10.8 -45.0 13.5 -12.8 88 89 A H 0 0 66 -3,-0.3 -1,-0.2 -4,-0.2 407,-0.0 -0.994 360.0 360.0-143.1 134.4 -48.0 15.7 -13.8 89 90 A H 0 0 188 -2,-0.3 -3,-0.0 -3,-0.1 -4,-0.0 -0.882 360.0 360.0-125.8 360.0 -51.7 14.7 -14.2 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 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.7 -55.9 16.5 -24.1 92 97 A E - 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