==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-OCT-11 4A67 . COMPND 2 MOLECULE: SPORE COAT PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR C.S.SILVA,P.F.LINDLEY,I.BENTO . 505 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 63.6 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 . 67 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.9 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 0 153 0, 0.0 3,-0.1 0, 0.0 226,-0.0 0.000 360.0 360.0 360.0 155.8 13.2 -13.0 -24.6 2 3 A L - 0 0 35 1,-0.1 2,-0.4 37,-0.0 233,-0.0 -0.164 360.0-107.5 -61.1 135.8 13.5 -16.4 -26.5 3 4 A E - 0 0 105 1,-0.1 3,-0.4 2,-0.0 37,-0.2 -0.493 39.6-123.9 -69.6 124.4 10.3 -18.3 -26.9 4 5 A K S S+ 0 0 45 -2,-0.4 231,-0.1 1,-0.2 -1,-0.1 -0.339 78.2 11.7 -70.2 141.3 10.4 -21.4 -24.6 5 6 A F S S+ 0 0 19 230,-2.4 -1,-0.2 229,-0.2 230,-0.1 0.883 81.8 119.0 69.4 46.5 10.0 -25.0 -25.8 6 7 A V + 0 0 29 229,-0.4 2,-0.4 -3,-0.4 -2,-0.1 0.493 60.8 65.4-115.2 -10.6 10.2 -24.6 -29.6 7 8 A D S S- 0 0 23 228,-0.4 230,-2.5 227,-0.4 2,-0.1 -0.943 83.6-118.1-118.0 134.2 13.3 -26.8 -30.3 8 9 A A B -a 237 0A 53 -2,-0.4 230,-0.2 228,-0.2 -2,-0.1 -0.437 40.0 -98.8 -62.5 143.5 13.5 -30.6 -29.8 9 10 A L - 0 0 11 228,-2.7 2,-0.1 -2,-0.1 -1,-0.1 -0.446 38.6-128.8 -61.4 116.2 16.1 -31.7 -27.2 10 11 A P - 0 0 43 0, 0.0 223,-0.1 0, 0.0 -1,-0.1 -0.499 11.0-150.0 -66.5 142.9 19.3 -32.9 -29.1 11 12 A I - 0 0 88 -2,-0.1 3,-0.1 177,-0.1 177,-0.1 -0.967 23.0-130.1-106.1 108.2 20.5 -36.3 -28.1 12 13 A P - 0 0 19 0, 0.0 44,-0.1 0, 0.0 3,-0.0 -0.358 27.5-111.7 -59.6 137.5 24.3 -36.2 -28.6 13 14 A D - 0 0 131 1,-0.1 45,-2.0 44,-0.0 2,-0.5 -0.322 30.9-104.8 -61.7 153.9 25.6 -39.1 -30.7 14 15 A T B -f 58 0B 65 43,-0.2 45,-0.2 -3,-0.1 -1,-0.1 -0.687 40.4-112.3 -80.3 125.1 27.7 -41.7 -29.1 15 16 A L - 0 0 20 43,-3.0 45,-0.3 -2,-0.5 -1,-0.1 -0.395 27.2-142.1 -56.1 133.5 31.3 -41.3 -30.2 16 17 A K - 0 0 177 43,-0.1 2,-0.1 -2,-0.1 -1,-0.0 -0.836 22.8-111.1 -97.2 139.1 32.6 -44.2 -32.3 17 18 A P - 0 0 39 0, 0.0 10,-0.2 0, 0.0 3,-0.2 -0.357 5.4-140.7 -67.5 148.4 36.2 -45.4 -31.8 18 19 A V S S+ 0 0 89 8,-2.2 2,-0.3 1,-0.3 9,-0.2 0.839 95.3 6.9 -70.8 -36.0 38.9 -44.9 -34.4 19 20 A Q E S-G 26 0C 74 7,-1.6 7,-3.3 2,-0.0 2,-0.3 -0.992 71.4-179.5-145.3 140.6 40.1 -48.4 -33.5 20 21 A Q E +G 25 0C 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.997 10.7 153.3-140.2 140.0 38.7 -51.1 -31.2 21 22 A S - 0 0 50 3,-2.1 3,-0.1 -2,-0.3 -2,-0.0 -0.841 59.7 -92.8-142.8-178.5 39.9 -54.5 -30.2 22 23 A K S S+ 0 0 198 -2,-0.3 44,-0.2 1,-0.2 3,-0.1 0.751 125.4 44.8 -69.6 -24.8 39.2 -56.6 -27.1 23 24 A E S S+ 0 0 134 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.700 122.9 16.0 -89.3 -23.9 42.5 -55.2 -25.5 24 25 A K - 0 0 92 -3,-0.1 -3,-2.1 41,-0.1 2,-0.5 -0.986 50.3-157.4-158.9 137.7 42.1 -51.6 -26.3 25 26 A T E -Gh 20 67C 4 41,-2.7 43,-2.9 -2,-0.3 2,-0.5 -0.984 20.9-164.4-119.1 129.1 39.6 -48.9 -27.4 26 27 A Y E -Gh 19 68C 45 -7,-3.3 -8,-2.2 -2,-0.5 -7,-1.6 -0.934 7.1-177.1-123.8 122.1 41.1 -45.8 -29.1 27 28 A Y E - h 0 69C 7 41,-3.5 43,-3.0 -2,-0.5 2,-0.4 -0.824 13.0-155.7-114.6 154.4 39.3 -42.5 -29.7 28 29 A E E + h 0 70C 75 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.994 13.5 176.3-128.0 135.2 40.1 -39.2 -31.3 29 30 A V E - h 0 71C 0 41,-2.4 43,-2.5 -2,-0.4 2,-0.5 -0.984 9.3-163.5-138.2 125.5 38.4 -35.9 -30.4 30 31 A T E - h 0 72C 30 -2,-0.4 21,-1.7 41,-0.2 22,-0.6 -0.937 17.6-132.8-116.1 127.7 39.4 -32.6 -31.9 31 32 A M E +Ih 50 73C 0 41,-3.2 43,-1.6 -2,-0.5 2,-0.4 -0.615 36.6 173.0 -75.1 130.3 38.4 -29.2 -30.5 32 33 A E E -I 49 0C 61 17,-2.4 17,-2.7 -2,-0.4 2,-0.5 -0.984 37.4-121.4-140.5 142.5 37.0 -26.9 -33.2 33 34 A E E +I 48 0C 60 41,-0.4 2,-0.3 -2,-0.4 15,-0.2 -0.771 49.8 155.7 -78.7 127.2 35.4 -23.6 -33.5 34 35 A X E -I 47 0C 71 13,-2.5 13,-3.3 -2,-0.5 2,-0.4 -0.870 38.7-117.6-142.9 172.1 32.0 -24.1 -35.2 35 36 A T E +I 46 0C 87 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.948 31.3 169.9-117.5 139.9 28.6 -22.5 -35.5 36 37 A H E -I 45 0C 66 9,-2.0 9,-3.5 -2,-0.4 2,-0.4 -0.988 37.3-112.3-143.9 149.8 25.3 -24.0 -34.3 37 38 A Q - 0 0 88 -2,-0.3 3,-0.1 7,-0.3 162,-0.0 -0.705 24.7-172.6 -82.7 131.5 21.9 -22.7 -33.8 38 39 A L S S+ 0 0 2 -2,-0.4 196,-3.1 5,-0.4 2,-0.3 0.582 71.0 14.6-100.3 -13.1 21.0 -22.6 -30.1 39 40 A H S > S- 0 0 0 3,-0.2 3,-2.0 194,-0.2 -1,-0.3 -0.974 78.9-109.2-160.8 149.3 17.3 -21.6 -30.7 40 41 A R T 3 S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.830 116.8 47.3 -49.2 -38.5 14.8 -21.5 -33.6 41 42 A D T 3 S+ 0 0 86 -38,-0.1 -1,-0.3 -3,-0.1 -4,-0.0 0.214 97.3 86.2 -97.5 17.1 14.9 -17.7 -33.6 42 43 A L S < S- 0 0 15 -3,-2.0 -3,-0.2 157,-0.1 3,-0.1 -0.879 76.1-116.1-117.6 146.7 18.6 -17.0 -33.5 43 44 A P - 0 0 60 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.423 62.7 -71.5 -61.8 155.9 21.4 -16.8 -36.1 44 45 A P - 0 0 77 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.154 52.6-130.0 -48.1 141.4 24.0 -19.6 -35.7 45 46 A T E -I 36 0C 0 -9,-3.5 -9,-2.0 -3,-0.1 2,-0.4 -0.851 10.9-125.6-104.1 130.8 26.3 -19.2 -32.6 46 47 A R E +I 35 0C 109 -2,-0.5 155,-0.4 -11,-0.2 2,-0.3 -0.655 45.5 164.8 -70.7 126.8 30.0 -19.4 -32.8 47 48 A L E -I 34 0C 2 -13,-3.3 -13,-2.5 -2,-0.4 2,-0.5 -0.902 40.9-120.6-138.0 162.5 31.1 -22.0 -30.3 48 49 A W E +I 33 0C 0 113,-2.5 2,-0.4 -2,-0.3 -15,-0.2 -0.961 43.5 177.7-106.6 122.8 34.1 -24.2 -29.3 49 50 A G E > -I 32 0C 2 -17,-2.7 -17,-2.4 -2,-0.5 3,-2.1 -0.965 39.7-111.9-134.5 145.1 33.2 -27.9 -29.5 50 51 A Y E > S-IJ 31 53C 0 3,-0.7 3,-2.2 112,-0.4 -19,-0.2 -0.572 116.7 -3.2 -64.2 124.8 34.6 -31.4 -29.0 51 52 A N T 3 S- 0 0 55 -21,-1.7 -1,-0.3 -2,-0.3 -20,-0.2 0.771 131.8 -68.3 50.2 29.6 34.6 -32.7 -32.7 52 53 A G T < S+ 0 0 4 -3,-2.1 2,-0.3 -22,-0.6 -1,-0.3 0.598 108.9 123.5 70.5 14.2 32.9 -29.4 -33.4 53 54 A L B < -J 50 0C 69 -3,-2.2 -3,-0.7 -19,-0.0 -1,-0.2 -0.798 60.6-123.9-111.0 144.3 29.7 -30.4 -31.4 54 55 A F S S+ 0 0 20 -2,-0.3 2,-0.2 -5,-0.2 111,-0.1 -0.928 104.8 22.1-130.7 111.4 28.1 -28.6 -28.5 55 56 A P S S- 0 0 8 0, 0.0 110,-0.2 0, 0.0 -1,-0.1 0.601 111.5-111.7 -69.9 168.0 27.9 -30.5 -26.2 56 57 A G - 0 0 0 108,-3.8 110,-0.4 106,-0.2 -5,-0.1 -0.072 47.2 -74.0 -55.7 167.1 30.6 -32.9 -27.2 57 58 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 -43,-0.2 -0.341 53.1-107.7 -60.8 145.4 29.7 -36.5 -28.3 58 59 A T B -f 14 0B 8 -45,-2.0 -43,-3.0 107,-0.1 2,-0.5 -0.613 30.8-147.9 -77.1 134.6 28.7 -38.8 -25.5 59 60 A I E -l 167 0D 0 107,-2.4 109,-3.2 -2,-0.3 2,-0.4 -0.915 12.3-167.2-104.5 133.2 31.3 -41.4 -24.7 60 61 A E E +l 168 0D 72 -2,-0.5 2,-0.3 -45,-0.3 109,-0.2 -0.984 14.6 161.6-123.9 129.4 30.1 -44.8 -23.5 61 62 A V E -l 169 0D 2 107,-2.5 109,-3.1 -2,-0.4 2,-0.3 -0.906 32.8-118.4-139.3 160.4 32.5 -47.3 -22.0 62 63 A K E > -l 170 0D 119 -2,-0.3 3,-2.3 107,-0.2 109,-0.2 -0.713 46.0 -85.7 -95.5 155.2 32.2 -50.4 -19.9 63 64 A R T 3 S+ 0 0 74 107,-2.2 76,-0.2 -2,-0.3 75,-0.1 -0.328 118.0 12.9 -55.1 138.9 33.8 -50.8 -16.5 64 65 A N T 3 S+ 0 0 100 74,-2.8 -1,-0.3 1,-0.2 2,-0.2 0.473 88.3 147.4 67.3 3.9 37.4 -52.0 -17.0 65 66 A E < - 0 0 20 -3,-2.3 2,-1.2 73,-0.3 -1,-0.2 -0.538 54.2-125.0 -71.7 132.6 37.3 -51.2 -20.7 66 67 A N - 0 0 46 -2,-0.2 -41,-2.7 -44,-0.2 2,-0.4 -0.681 40.2-174.9 -88.4 96.5 40.8 -50.1 -21.6 67 68 A V E -hK 25 136C 0 69,-2.2 69,-3.7 -2,-1.2 2,-0.4 -0.790 19.0-175.3-106.7 138.5 40.2 -46.7 -23.1 68 69 A Y E -hK 26 135C 47 -43,-2.9 -41,-3.5 -2,-0.4 2,-0.4 -0.990 4.7-172.9-123.9 136.1 42.5 -44.2 -24.9 69 70 A V E -hK 27 134C 0 65,-2.2 65,-2.7 -2,-0.4 2,-0.9 -0.976 14.3-155.0-129.6 121.8 41.5 -40.8 -26.1 70 71 A K E -hK 28 133C 47 -43,-3.0 -41,-2.4 -2,-0.4 2,-0.6 -0.824 16.1-165.0 -90.1 106.3 43.6 -38.4 -28.1 71 72 A W E -h 29 0C 4 -2,-0.9 2,-0.4 61,-0.8 -41,-0.2 -0.843 11.6-169.7 -94.0 123.6 42.2 -35.0 -27.3 72 73 A M E -h 30 0C 32 -43,-2.5 -41,-3.2 -2,-0.6 2,-0.8 -0.890 21.1-136.3-121.1 139.7 43.6 -32.5 -29.9 73 74 A N E +h 31 0C 1 -2,-0.4 48,-2.2 46,-0.3 49,-0.1 -0.866 35.6 153.8 -93.9 112.7 43.4 -28.7 -30.0 74 75 A N + 0 0 72 -43,-1.6 -41,-0.4 -2,-0.8 -1,-0.1 -0.154 36.7 127.4-123.3 40.0 42.5 -27.5 -33.5 75 76 A L - 0 0 0 -43,-0.2 45,-0.1 1,-0.2 -43,-0.1 -0.469 69.0 -83.0 -89.4 160.9 41.0 -24.2 -32.3 76 77 A P - 0 0 38 0, 0.0 -1,-0.2 0, 0.0 44,-0.1 -0.130 37.9-115.8 -57.3 165.5 41.9 -20.7 -33.4 77 78 A S S S+ 0 0 83 -3,-0.1 18,-0.5 17,-0.1 17,-0.4 0.536 97.6 55.2 -85.1 -6.8 45.0 -19.0 -31.9 78 79 A T S S- 0 0 92 16,-0.1 2,-0.1 15,-0.1 -1,-0.0 -0.975 83.2-123.5-127.1 146.9 42.9 -16.3 -30.3 79 80 A H - 0 0 19 -2,-0.4 4,-0.1 1,-0.1 -2,-0.1 -0.409 3.7-150.0 -80.8 155.3 40.0 -16.6 -27.9 80 81 A F S S+ 0 0 50 -2,-0.1 -1,-0.1 2,-0.1 -34,-0.0 0.499 79.2 73.5-100.9 -3.4 36.6 -15.0 -28.7 81 82 A L S S- 0 0 9 121,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.791 100.3 -87.3-109.0 154.7 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 -0.407 39.8-154.3 -71.9 119.1 37.4 -11.8 -22.8 83 84 A I - 0 0 20 -2,-0.4 2,-0.7 -4,-0.1 71,-0.1 -0.742 5.1-148.3 -89.7 129.2 40.7 -12.9 -21.2 84 85 A D > - 0 0 7 -2,-0.4 3,-0.7 69,-0.2 4,-0.1 -0.876 10.1-169.8 -93.0 113.6 41.8 -11.3 -17.9 85 86 A H G > S+ 0 0 119 -2,-0.7 3,-0.5 132,-0.2 -1,-0.1 0.595 73.8 69.9 -81.9 -8.0 45.7 -11.3 -18.0 86 87 A T G 3 S+ 0 0 27 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.515 82.7 70.1 -89.1 -6.4 46.1 -10.2 -14.3 87 88 A I G < S+ 0 0 9 -3,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.579 105.7 33.4 -87.9 -11.1 44.9 -13.4 -12.7 88 89 A H < 0 0 66 -3,-0.5 -1,-0.2 -4,-0.1 407,-0.0 -0.971 360.0 360.0-147.5 127.2 47.9 -15.5 -13.7 89 90 A H 0 0 184 -2,-0.3 -3,-0.1 -3,-0.1 -4,-0.0 -0.839 360.0 360.0-123.1 360.0 51.6 -14.3 -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 0 232 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.8 56.1 -16.5 -23.8 92 97 A E - 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