==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JAN-05 2BHF . 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 . 504 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 63.3 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 25.8 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 . 65 12.9 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 0 177 0, 0.0 3,-0.1 0, 0.0 323,-0.0 0.000 360.0 360.0 360.0 -60.0 45.9 71.3 20.8 2 3 A L - 0 0 36 1,-0.1 2,-0.3 37,-0.0 232,-0.0 -0.177 360.0-108.8 -52.8 134.1 43.5 69.0 19.0 3 4 A E - 0 0 105 1,-0.1 3,-0.5 2,-0.0 37,-0.2 -0.496 34.6-125.8 -70.6 128.0 40.1 70.5 18.7 4 5 A K S S+ 0 0 58 -2,-0.3 230,-0.1 1,-0.2 -1,-0.1 -0.404 78.1 12.5 -73.6 143.9 37.5 68.9 20.9 5 6 A F S S+ 0 0 22 229,-1.9 -1,-0.2 -2,-0.1 229,-0.1 0.875 80.8 119.9 67.3 45.6 34.2 67.4 19.7 6 7 A V + 0 0 31 228,-0.5 2,-0.4 -3,-0.5 -2,-0.1 0.568 60.2 63.5-114.1 -12.1 34.7 67.4 15.9 7 8 A D S S- 0 0 23 227,-0.4 229,-2.4 226,-0.3 2,-0.1 -0.923 82.8-117.6-112.0 137.3 34.3 63.6 15.1 8 9 A A B -a 236 0A 53 -2,-0.4 229,-0.2 227,-0.2 -2,-0.1 -0.431 40.4-100.2 -63.2 143.1 31.2 61.5 15.7 9 10 A L - 0 0 11 227,-2.4 2,-0.2 -2,-0.1 221,-0.1 -0.510 37.7-129.3 -64.3 122.4 31.6 58.7 18.2 10 11 A P - 0 0 45 0, 0.0 222,-0.1 0, 0.0 -1,-0.1 -0.533 10.8-149.7 -72.4 141.0 32.1 55.4 16.3 11 12 A I - 0 0 81 -2,-0.2 176,-0.1 176,-0.1 47,-0.0 -0.948 24.0-127.3-108.6 107.9 29.8 52.6 17.3 12 13 A P - 0 0 21 0, 0.0 44,-0.1 0, 0.0 3,-0.0 -0.274 27.6-113.2 -56.2 135.1 31.8 49.4 16.8 13 14 A D - 0 0 132 1,-0.1 45,-2.0 44,-0.0 2,-0.4 -0.308 30.2-104.9 -65.6 155.3 29.9 46.9 14.7 14 15 A T B -f 58 0B 66 43,-0.2 45,-0.2 1,-0.1 2,-0.2 -0.693 38.5-112.5 -83.2 130.1 28.8 43.7 16.2 15 16 A L - 0 0 23 43,-2.6 45,-0.3 -2,-0.4 -1,-0.1 -0.460 25.2-140.3 -61.9 131.7 30.8 40.7 15.1 16 17 A K - 0 0 182 -2,-0.2 -1,-0.0 43,-0.1 -3,-0.0 -0.832 23.9-114.2 -91.9 134.4 29.0 38.2 12.9 17 18 A P - 0 0 38 0, 0.0 10,-0.2 0, 0.0 3,-0.2 -0.305 6.4-138.7 -62.6 148.9 29.7 34.5 13.6 18 19 A V S S+ 0 0 71 8,-2.4 2,-0.3 1,-0.3 9,-0.2 0.853 93.2 4.1 -73.7 -41.2 31.5 32.4 11.0 19 20 A Q E S+G 26 0C 137 7,-1.6 7,-3.2 2,-0.0 -1,-0.3 -0.992 72.6 179.3-143.8 146.2 29.1 29.5 11.9 20 21 A Q E +G 25 0C 124 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.990 9.7 152.6-149.1 135.4 26.2 29.4 14.3 21 22 A S - 0 0 57 3,-2.5 -2,-0.0 -2,-0.3 0, 0.0 -0.828 59.5 -90.1-141.2-178.3 23.6 26.8 15.4 22 23 A K S S+ 0 0 208 -2,-0.3 44,-0.3 1,-0.2 3,-0.1 0.832 126.4 48.2 -62.0 -30.9 21.5 26.2 18.5 23 24 A E S S+ 0 0 141 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.815 123.5 2.2 -84.9 -32.5 24.4 24.0 19.8 24 25 A K - 0 0 103 41,-0.1 -3,-2.5 2,-0.0 2,-0.4 -0.994 48.5-146.6-158.2 150.4 27.3 26.4 19.2 25 26 A T E -Gh 20 67C 2 41,-2.9 43,-2.5 -2,-0.3 2,-0.5 -0.968 21.4-163.7-114.7 131.7 28.5 29.8 18.0 26 27 A Y E -Gh 19 68C 41 -7,-3.2 -8,-2.4 -2,-0.4 -7,-1.6 -0.962 8.5-180.0-124.5 122.8 31.9 30.0 16.3 27 28 A Y E - h 0 69C 7 41,-2.9 43,-2.7 -2,-0.5 2,-0.4 -0.873 14.8-155.2-117.8 153.4 33.8 33.3 15.7 28 29 A E E + h 0 70C 71 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.998 13.6 177.3-127.2 129.1 37.2 34.1 14.1 29 30 A V E - h 0 71C 0 41,-2.0 43,-2.9 -2,-0.4 2,-0.4 -0.990 7.9-166.3-130.8 121.3 39.1 37.2 15.1 30 31 A T E - h 0 72C 32 -2,-0.4 21,-3.4 41,-0.2 22,-0.5 -0.912 18.4-130.8-112.6 136.4 42.5 38.0 13.6 31 32 A M E +Ih 50 73C 0 41,-3.4 43,-1.6 -2,-0.4 2,-0.3 -0.712 35.4 177.0 -81.2 129.9 44.9 40.6 15.0 32 33 A E E -I 49 0C 68 17,-2.3 17,-2.7 -2,-0.4 2,-0.4 -0.978 36.7-119.1-136.0 146.4 46.2 43.0 12.2 33 34 A E E +I 48 0C 68 41,-0.4 2,-0.3 -2,-0.3 15,-0.2 -0.727 53.5 153.6 -75.4 131.1 48.4 46.0 11.8 34 35 A C E -I 47 0C 23 13,-2.8 13,-3.5 -2,-0.4 2,-0.4 -0.900 38.9-118.5-149.9 171.5 46.2 48.7 10.3 35 36 A T E +I 46 0C 90 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.973 28.1 171.8-123.5 141.6 45.8 52.4 10.1 36 37 A H E -I 45 0C 64 9,-2.0 9,-3.2 -2,-0.4 2,-0.5 -0.998 35.6-115.9-144.5 144.8 42.9 54.6 11.3 37 38 A Q - 0 0 83 -2,-0.3 3,-0.1 7,-0.3 161,-0.0 -0.689 24.8-173.3 -79.2 126.8 42.3 58.2 11.6 38 39 A L + 0 0 1 -2,-0.5 195,-3.0 5,-0.4 2,-0.3 0.626 69.2 17.3 -96.5 -14.8 41.9 59.1 15.3 39 40 A H S > S- 0 0 0 3,-0.2 3,-2.1 193,-0.2 -1,-0.2 -0.989 78.8-110.4-154.2 146.7 40.9 62.7 14.8 40 41 A R T 3 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.854 118.0 45.6 -44.2 -38.7 39.6 64.9 11.9 41 42 A D T 3 S+ 0 0 87 -38,-0.1 -1,-0.3 -3,-0.1 -4,-0.0 0.140 97.7 86.3-100.1 21.8 42.9 66.8 11.9 42 43 A L S < S- 0 0 16 -3,-2.1 -3,-0.2 156,-0.1 3,-0.1 -0.922 76.1-115.8-121.4 147.1 45.4 63.9 12.1 43 44 A P - 0 0 61 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.415 61.3 -74.5 -64.7 154.1 47.1 61.7 9.4 44 45 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.166 52.2-128.2 -54.4 147.7 46.0 58.0 9.9 45 46 A T E -I 36 0C 0 -9,-3.2 -9,-2.0 -3,-0.1 2,-0.5 -0.845 11.1-122.4-103.5 135.4 47.6 56.2 12.9 46 47 A R E +I 35 0C 119 -2,-0.4 154,-0.4 -11,-0.2 2,-0.3 -0.680 48.1 163.6 -74.3 123.3 49.3 52.8 12.7 47 48 A L E -I 34 0C 0 -13,-3.5 -13,-2.8 -2,-0.5 2,-0.5 -0.880 40.8-124.1-137.5 162.9 47.5 50.5 15.1 48 49 A W E +I 33 0C 0 112,-2.6 2,-0.4 -2,-0.3 -15,-0.2 -0.974 41.8 176.3-112.3 128.9 47.1 46.9 16.0 49 50 A G E > -I 32 0C 0 -17,-2.7 3,-2.5 -2,-0.5 -17,-2.3 -0.987 41.2-108.7-141.9 142.4 43.5 45.8 16.0 50 51 A Y E > S-IJ 31 53C 0 3,-0.6 3,-1.3 111,-0.4 -19,-0.2 -0.561 116.7 -3.7 -62.6 120.7 41.2 42.9 16.4 51 52 A N T 3 S- 0 0 51 -21,-3.4 -1,-0.3 -2,-0.4 -20,-0.2 0.768 131.1 -66.2 54.6 33.1 40.0 42.3 12.7 52 53 A G T < S+ 0 0 8 -3,-2.5 2,-0.3 -22,-0.5 -1,-0.2 0.727 110.4 122.1 66.8 23.1 42.1 45.4 11.9 53 54 A L B < -J 50 0C 74 -3,-1.3 -3,-0.6 -19,-0.1 -1,-0.2 -0.902 60.0-126.2-121.9 144.8 39.7 47.6 14.0 54 55 A F S S+ 0 0 19 -2,-0.3 2,-0.2 -5,-0.2 110,-0.1 -0.935 104.6 21.9-133.5 112.9 40.1 49.9 16.9 55 56 A P S S- 0 0 9 0, 0.0 109,-0.2 0, 0.0 3,-0.1 0.636 110.6-114.2 -69.1 174.2 38.4 49.1 19.1 56 57 A G - 0 0 0 107,-3.2 109,-0.4 105,-0.2 -5,-0.1 -0.160 47.2 -72.3 -65.9 168.2 37.8 45.5 18.1 57 58 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.299 52.7-110.2 -61.6 148.2 34.3 44.5 17.0 58 59 A T B -f 14 0B 5 -45,-2.0 -43,-2.6 106,-0.1 2,-0.5 -0.697 29.4-146.9 -81.2 132.5 31.8 44.2 19.8 59 60 A I E -l 166 0D 0 106,-2.3 108,-3.1 -2,-0.4 2,-0.5 -0.888 11.4-164.7-105.1 129.2 30.8 40.6 20.6 60 61 A E E +l 167 0D 73 -2,-0.5 2,-0.3 -45,-0.3 108,-0.2 -0.961 16.0 161.8-120.4 124.4 27.3 39.9 21.7 61 62 A V E -l 168 0D 1 106,-2.6 108,-3.1 -2,-0.5 2,-0.3 -0.887 31.6-119.9-134.3 162.8 26.3 36.7 23.3 62 63 A K E > -l 169 0D 130 -2,-0.3 3,-2.7 106,-0.2 108,-0.2 -0.741 46.0 -83.9 -99.5 153.4 23.4 35.3 25.4 63 64 A R T 3 S+ 0 0 75 106,-2.1 75,-0.2 -2,-0.3 74,-0.1 -0.268 119.5 9.7 -49.5 137.0 23.7 33.8 28.9 64 65 A N T 3 S+ 0 0 89 73,-4.3 -1,-0.3 1,-0.2 2,-0.2 0.527 88.1 150.3 62.3 6.7 24.7 30.1 28.4 65 66 A E < - 0 0 30 -3,-2.7 2,-1.1 72,-0.3 -1,-0.2 -0.562 52.3-124.9 -66.1 133.6 25.3 30.6 24.6 66 67 A N - 0 0 52 -44,-0.3 -41,-2.9 -2,-0.2 2,-0.3 -0.725 41.9-178.1 -85.5 98.5 28.0 28.1 23.8 67 68 A V E -hK 25 135C 0 68,-2.5 68,-3.5 -2,-1.1 2,-0.4 -0.803 21.0-176.2-112.3 143.9 30.7 30.2 22.2 68 69 A Y E -hK 26 134C 56 -43,-2.5 -41,-2.9 -2,-0.3 2,-0.4 -0.994 4.5-172.9-130.5 134.3 34.1 29.6 20.6 69 70 A V E -hK 27 133C 0 64,-1.8 64,-2.7 -2,-0.4 2,-1.0 -0.984 14.5-152.1-129.9 122.6 36.4 32.3 19.3 70 71 A K E -hK 28 132C 48 -43,-2.7 -41,-2.0 -2,-0.4 2,-0.6 -0.821 16.6-159.9 -90.6 102.1 39.6 31.5 17.4 71 72 A W E -h 29 0C 2 -2,-1.0 2,-0.4 60,-0.7 -41,-0.2 -0.772 13.4-168.3 -85.1 121.5 41.9 34.4 18.2 72 73 A M E -h 30 0C 36 -43,-2.9 -41,-3.4 -2,-0.6 2,-0.7 -0.893 19.8-140.4-120.9 139.8 44.6 34.6 15.6 73 74 A N E +h 31 0C 3 -2,-0.4 47,-2.0 45,-0.3 48,-0.2 -0.863 32.7 155.0 -98.3 112.6 47.8 36.6 15.4 74 75 A N + 0 0 83 -43,-1.6 -41,-0.4 -2,-0.7 -1,-0.1 -0.171 36.3 128.6-125.6 39.3 48.5 37.9 12.0 75 76 A L - 0 0 1 -43,-0.2 44,-0.1 1,-0.2 -43,-0.1 -0.407 68.6 -81.5 -86.7 163.4 50.7 40.8 13.2 76 77 A P - 0 0 41 0, 0.0 -1,-0.2 0, 0.0 43,-0.1 -0.263 39.4-118.6 -55.4 155.9 54.2 41.9 12.0 77 78 A S S S+ 0 0 81 -3,-0.1 17,-0.6 16,-0.1 16,-0.4 0.582 97.3 54.9 -79.0 -13.1 57.0 39.9 13.6 78 79 A T S S- 0 0 92 15,-0.1 2,-0.1 14,-0.1 0, 0.0 -0.912 84.3-123.1-119.1 151.4 58.5 43.1 15.2 79 80 A H - 0 0 18 -2,-0.3 4,-0.1 2,-0.1 -2,-0.1 -0.336 2.1-148.7 -82.7 168.8 56.7 45.6 17.5 80 81 A F S S+ 0 0 42 -2,-0.1 -1,-0.1 2,-0.1 -34,-0.0 0.409 77.2 72.8-114.7 -3.8 56.4 49.3 16.8 81 82 A L S S- 0 0 13 120,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.713 100.6 -80.4-106.8 160.6 56.4 50.3 20.5 82 83 A P - 0 0 33 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.475 44.2-157.5 -65.7 115.9 59.5 50.3 22.8 83 84 A I - 0 0 23 -2,-0.4 2,-0.8 -4,-0.1 70,-0.1 -0.841 5.8-149.2 -95.5 124.5 60.2 46.8 24.2 84 85 A D > - 0 0 6 -2,-0.5 3,-0.9 68,-0.2 4,-0.2 -0.825 10.8-172.4 -91.1 108.4 62.2 46.6 27.5 85 86 A H T 3 S+ 0 0 139 -2,-0.8 3,-0.4 1,-0.2 -1,-0.1 0.572 73.3 71.6 -79.7 -7.0 64.1 43.3 27.3 86 87 A T T 3 S+ 0 0 53 130,-0.3 -1,-0.2 1,-0.2 131,-0.0 0.530 85.7 66.1 -86.8 -4.9 65.4 43.5 30.9 87 88 A I < 0 0 14 -3,-0.9 -1,-0.2 65,-0.1 -2,-0.1 0.635 360.0 360.0 -97.4 -17.4 62.0 42.8 32.6 88 89 A H 0 0 131 -3,-0.4 -1,-0.1 -4,-0.2 406,-0.0 -0.942 360.0 360.0-109.9 360.0 61.3 39.2 31.6 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 0 225 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.5 64.8 32.2 22.0 91 97 A E - 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