==== 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 4A66 . COMPND 2 MOLECULE: SPORE COAT PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR C.S.SILVA,P.F.LINDLEY,I.BENTO . 501 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 62.9 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 . 2 0.4 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 . 0 0.0 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 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.6 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 4 1 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 2 2 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 0 147 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 170.3 17.4 -4.6 24.3 2 3 A L - 0 0 33 1,-0.1 2,-0.2 38,-0.0 40,-0.0 -0.331 360.0-105.7 -62.5 132.2 20.4 -3.3 26.3 3 4 A E - 0 0 108 1,-0.1 3,-0.5 -2,-0.1 37,-0.1 -0.391 39.6-124.6 -64.1 124.7 20.6 0.4 26.7 4 5 A K S S+ 0 0 56 1,-0.2 231,-0.1 -2,-0.2 -1,-0.1 -0.383 78.2 11.1 -72.9 143.0 23.3 1.8 24.4 5 6 A F S S+ 0 0 19 230,-2.5 -1,-0.2 229,-0.2 230,-0.1 0.877 81.2 118.9 67.1 47.3 26.2 4.0 25.6 6 7 A V + 0 0 31 -3,-0.5 2,-0.4 229,-0.4 -2,-0.1 0.467 61.8 66.4-117.0 -7.4 25.9 3.7 29.4 7 8 A D S S- 0 0 23 228,-0.4 230,-2.3 227,-0.3 2,-0.1 -0.953 83.0-118.8-118.2 136.9 29.3 2.1 30.2 8 9 A A B -a 237 0A 53 -2,-0.4 230,-0.2 228,-0.2 -2,-0.1 -0.415 40.2-100.0 -65.0 141.5 32.7 3.8 29.7 9 10 A L - 0 0 13 228,-2.4 2,-0.1 -2,-0.1 222,-0.1 -0.487 35.9-131.3 -63.3 120.5 35.0 2.0 27.2 10 11 A P - 0 0 45 0, 0.0 223,-0.1 0, 0.0 -1,-0.1 -0.490 13.0-154.4 -68.8 145.3 37.6 -0.1 29.0 11 12 A I - 0 0 84 -2,-0.1 177,-0.1 177,-0.1 47,-0.0 -0.959 24.2-123.1-119.3 109.6 41.2 0.4 27.8 12 13 A P - 0 0 22 0, 0.0 44,-0.1 0, 0.0 3,-0.0 -0.227 27.0-114.9 -54.3 135.3 43.1 -2.8 28.6 13 14 A D - 0 0 139 1,-0.1 45,-2.0 44,-0.0 2,-0.4 -0.360 34.0-104.0 -62.2 152.8 46.2 -2.1 30.7 14 15 A T B -f 58 0B 60 43,-0.2 45,-0.2 1,-0.1 -1,-0.1 -0.654 40.2-109.9 -80.0 132.2 49.5 -2.8 29.1 15 16 A L - 0 0 21 43,-3.1 45,-0.3 -2,-0.4 -1,-0.1 -0.381 27.4-140.1 -64.1 139.7 51.1 -6.0 30.2 16 17 A K - 0 0 174 43,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 -0.854 23.1-109.8-101.8 137.6 54.2 -5.8 32.4 17 18 A P - 0 0 42 0, 0.0 10,-0.3 0, 0.0 3,-0.2 -0.278 7.4-143.9 -62.4 145.6 57.2 -8.2 31.9 18 19 A V S S+ 0 0 80 8,-2.4 2,-0.3 1,-0.3 9,-0.2 0.858 93.1 5.4 -69.7 -39.8 57.9 -10.8 34.5 19 20 A Q E S-G 26 0C 133 7,-1.8 7,-3.3 2,-0.0 2,-0.3 -0.995 73.4-178.6-144.1 143.0 61.6 -10.2 33.7 20 21 A Q E +G 25 0C 116 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.988 10.0 156.8-148.7 135.2 63.3 -7.6 31.4 21 22 A S - 0 0 61 3,-2.3 3,-0.1 -2,-0.3 -2,-0.0 -0.796 59.1 -93.7-136.7 176.8 66.9 -6.8 30.4 22 23 A K S S+ 0 0 197 -2,-0.3 44,-0.2 1,-0.2 3,-0.1 0.787 126.8 44.3 -62.9 -25.6 68.3 -5.0 27.4 23 24 A E S S+ 0 0 119 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.704 121.5 18.8 -94.1 -23.6 68.7 -8.5 25.8 24 25 A K - 0 0 96 -3,-0.1 -3,-2.3 41,-0.1 2,-0.5 -0.981 51.5-157.7-156.2 133.8 65.4 -10.2 26.6 25 26 A T E -Gh 20 67C 3 41,-2.8 43,-2.4 -2,-0.3 2,-0.5 -0.971 20.4-165.0-111.8 125.6 61.8 -9.3 27.6 26 27 A Y E +Gh 19 68C 33 -7,-3.3 -8,-2.4 -2,-0.5 -7,-1.8 -0.948 8.6 178.9-121.8 121.4 60.0 -12.1 29.3 27 28 A Y E - h 0 69C 8 41,-2.7 43,-2.6 -2,-0.5 2,-0.4 -0.834 14.6-155.3-115.3 156.3 56.2 -12.2 29.8 28 29 A E E + h 0 70C 69 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.998 12.4 179.7-130.8 130.0 53.8 -14.8 31.4 29 30 A V E - h 0 71C 0 41,-2.3 43,-3.0 -2,-0.4 2,-0.5 -0.993 8.1-163.2-133.5 125.4 50.1 -14.9 30.4 30 31 A T E - h 0 72C 31 -2,-0.4 21,-2.1 41,-0.2 22,-0.6 -0.935 17.5-132.9-114.4 126.8 47.7 -17.5 31.9 31 32 A M E +Ih 50 73C 1 41,-3.4 43,-1.8 -2,-0.5 2,-0.3 -0.623 37.1 173.5 -73.4 126.3 44.3 -18.4 30.5 32 33 A E E -I 49 0C 66 17,-2.5 17,-2.7 -2,-0.4 2,-0.5 -0.974 37.2-119.5-136.8 145.8 41.8 -18.3 33.3 33 34 A E E +I 48 0C 62 41,-0.5 2,-0.3 -2,-0.3 15,-0.2 -0.761 49.9 164.8 -83.6 128.4 38.0 -18.7 33.6 34 35 A C E -I 47 0C 44 13,-2.9 13,-3.1 -2,-0.5 2,-0.4 -0.847 36.9-118.5-142.7 170.6 36.8 -15.5 35.1 35 36 A T E +I 46 0C 91 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.938 34.3 167.5-116.3 134.0 33.6 -13.4 35.6 36 37 A H E -I 45 0C 58 9,-2.0 9,-3.4 -2,-0.4 2,-0.5 -0.995 36.0-117.8-147.2 147.2 33.2 -9.9 34.2 37 38 A Q - 0 0 85 -2,-0.3 3,-0.1 7,-0.3 -2,-0.0 -0.726 22.8-174.3 -87.6 127.2 30.3 -7.5 33.7 38 39 A L + 0 0 2 -2,-0.5 196,-3.2 5,-0.4 2,-0.3 0.626 69.8 12.6 -95.0 -15.3 29.7 -6.7 30.0 39 40 A H S > S- 0 0 0 3,-0.2 3,-2.2 194,-0.2 -1,-0.3 -0.969 77.5-109.3-160.0 144.4 27.0 -4.0 30.5 40 41 A R T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.824 118.1 45.5 -38.5 -44.0 25.6 -1.9 33.4 41 42 A D T 3 S+ 0 0 86 -38,-0.1 -1,-0.3 -3,-0.1 -4,-0.0 0.275 97.5 88.0 -98.5 12.4 22.4 -3.9 33.3 42 43 A L S < S- 0 0 13 -3,-2.2 -3,-0.2 157,-0.1 156,-0.1 -0.853 76.9-116.7-109.7 145.1 23.7 -7.5 33.1 43 44 A P - 0 0 61 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.405 60.9 -75.5 -60.9 155.5 24.8 -10.0 35.8 44 45 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.218 52.3-129.3 -56.6 147.1 28.5 -10.7 35.5 45 46 A T E -I 36 0C 0 -9,-3.4 -9,-2.0 -3,-0.1 2,-0.4 -0.854 9.4-124.4-107.2 131.4 29.4 -13.1 32.5 46 47 A R E +I 35 0C 117 -2,-0.4 155,-0.4 -11,-0.2 2,-0.3 -0.612 47.1 161.2 -69.0 126.8 31.6 -16.2 32.7 47 48 A L E -I 34 0C 2 -13,-3.1 -13,-2.9 -2,-0.4 2,-0.5 -0.910 42.6-118.8-143.2 162.1 34.4 -15.8 30.2 48 49 A W E +I 33 0C 0 113,-2.4 2,-0.4 -2,-0.3 -15,-0.2 -0.955 41.6 179.1-105.1 129.9 37.8 -17.2 29.4 49 50 A G E > -I 32 0C 1 -17,-2.7 -17,-2.5 -2,-0.5 3,-2.1 -0.978 38.1-111.9-138.6 142.1 40.5 -14.5 29.5 50 51 A Y E > S-IJ 31 53C 0 3,-0.7 3,-1.9 112,-0.4 -19,-0.2 -0.605 116.3 -2.3 -65.7 124.5 44.2 -14.1 29.1 51 52 A N T 3 S- 0 0 61 -21,-2.1 -1,-0.3 -2,-0.3 -20,-0.2 0.777 132.4 -67.1 50.3 31.9 45.3 -13.3 32.6 52 53 A G T < S+ 0 0 7 -3,-2.1 2,-0.3 -22,-0.6 -1,-0.3 0.630 110.0 121.6 72.0 13.4 41.6 -13.5 33.5 53 54 A L B < -J 50 0C 78 -3,-1.9 -3,-0.7 -19,-0.1 -1,-0.2 -0.861 60.5-125.6-115.3 144.4 40.9 -10.3 31.4 54 55 A F S S+ 0 0 21 -2,-0.3 2,-0.2 -5,-0.2 111,-0.1 -0.954 105.5 21.6-131.1 113.9 38.6 -9.7 28.4 55 56 A P S S- 0 0 7 0, 0.0 110,-0.2 0, 0.0 3,-0.1 0.654 111.6-116.7 -65.0 171.8 40.1 -8.6 26.2 56 57 A G - 0 0 1 108,-3.3 110,-0.5 106,-0.2 -5,-0.1 -0.119 47.5 -65.7 -66.7 174.4 43.5 -9.8 27.4 57 58 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.300 53.3-112.1 -62.2 143.4 46.3 -7.3 28.3 58 59 A T B -f 14 0B 5 -45,-2.0 -43,-3.1 107,-0.1 2,-0.5 -0.645 30.1-148.0 -75.7 133.5 47.6 -5.1 25.6 59 60 A I E -l 167 0D 0 107,-2.4 109,-2.9 -2,-0.4 2,-0.5 -0.924 11.5-166.1-105.5 127.8 51.2 -6.0 24.8 60 61 A E E +l 168 0D 74 -2,-0.5 2,-0.3 -45,-0.3 109,-0.2 -0.953 14.4 165.0-117.0 127.2 53.5 -3.3 23.6 61 62 A V E -l 169 0D 2 107,-2.5 109,-3.0 -2,-0.5 2,-0.3 -0.913 32.3-118.6-133.3 159.5 56.9 -4.0 22.1 62 63 A K E > -l 170 0D 124 -2,-0.3 3,-2.2 107,-0.2 109,-0.2 -0.692 45.4 -90.3 -89.9 150.6 59.5 -2.2 20.1 63 64 A R T 3 S+ 0 0 84 107,-2.3 76,-0.2 -2,-0.3 75,-0.1 -0.399 117.8 14.8 -51.6 135.9 60.6 -3.3 16.6 64 65 A N T 3 S+ 0 0 103 74,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.443 88.4 147.5 69.0 4.7 63.5 -5.8 17.1 65 66 A E < - 0 0 26 -3,-2.2 2,-1.2 73,-0.3 -1,-0.3 -0.556 53.4-126.5 -70.7 133.1 62.7 -6.2 20.8 66 67 A N + 0 0 54 -2,-0.3 -41,-2.8 -44,-0.2 2,-0.3 -0.672 41.8 178.7 -86.6 95.3 63.6 -9.8 21.8 67 68 A V E -hK 25 136C 0 69,-2.1 69,-3.4 -2,-1.2 2,-0.4 -0.795 19.0-174.5-108.4 140.9 60.3 -11.0 23.4 68 69 A Y E -hK 26 135C 47 -43,-2.4 -41,-2.7 -2,-0.3 2,-0.4 -0.991 4.2-170.4-128.1 138.3 59.3 -14.3 24.9 69 70 A V E -hK 27 134C 0 65,-1.9 65,-2.5 -2,-0.4 2,-1.0 -0.990 13.2-153.9-130.5 120.4 55.8 -15.1 26.2 70 71 A K E -hK 28 133C 49 -43,-2.6 -41,-2.3 -2,-0.4 2,-0.5 -0.851 17.5-162.1 -90.7 100.9 55.0 -18.2 28.1 71 72 A W E -h 29 0C 3 -2,-1.0 2,-0.4 61,-0.7 -41,-0.2 -0.795 12.2-167.1 -84.5 122.8 51.3 -18.7 27.3 72 73 A M E -h 30 0C 33 -43,-3.0 -41,-3.4 -2,-0.5 2,-0.7 -0.886 19.8-138.0-120.5 145.5 49.7 -21.0 29.9 73 74 A N E +h 31 0C 1 -2,-0.4 48,-2.1 46,-0.3 49,-0.2 -0.890 33.5 154.6-102.0 114.4 46.5 -22.9 30.1 74 75 A N + 0 0 63 -43,-1.8 -41,-0.5 -2,-0.7 -1,-0.1 -0.204 36.4 130.1-124.8 40.7 44.8 -22.8 33.5 75 76 A L - 0 0 2 -43,-0.2 45,-0.1 1,-0.2 -43,-0.1 -0.500 67.1 -85.0 -92.1 162.6 41.3 -23.3 32.2 76 77 A P - 0 0 38 0, 0.0 -1,-0.2 0, 0.0 44,-0.1 -0.203 37.6-117.7 -58.2 159.1 38.7 -25.9 33.4 77 78 A S S S+ 0 0 82 -3,-0.1 18,-0.4 17,-0.1 2,-0.4 0.514 97.6 58.5 -82.8 -5.6 38.9 -29.3 31.9 78 79 A T S S- 0 0 89 16,-0.1 2,-0.0 15,-0.1 -1,-0.0 -0.980 83.4-125.1-126.5 143.0 35.5 -28.9 30.3 79 80 A H - 0 0 18 -2,-0.4 4,-0.1 1,-0.1 -2,-0.1 -0.318 2.9-150.9 -76.1 158.1 34.3 -26.2 27.9 80 81 A F S S+ 0 0 52 2,-0.1 -1,-0.1 -2,-0.0 -34,-0.0 0.465 78.5 73.4-104.8 -4.7 31.2 -24.1 28.6 81 82 A L S S- 0 0 11 121,-0.1 2,-0.5 1,-0.0 -2,-0.1 -0.743 101.1 -85.6-107.4 156.6 30.4 -23.6 24.9 82 83 A P - 0 0 24 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.437 42.6-154.9 -73.2 115.4 28.9 -26.3 22.7 83 84 A I - 0 0 19 -2,-0.5 2,-0.7 -4,-0.1 71,-0.1 -0.728 4.9-150.1 -89.6 131.5 31.6 -28.6 21.2 84 85 A D > - 0 0 7 -2,-0.4 3,-0.6 69,-0.2 4,-0.2 -0.890 12.4-176.4 -96.2 110.4 30.9 -30.4 18.0 85 86 A H G > S+ 0 0 129 -2,-0.7 3,-0.8 132,-0.2 -1,-0.1 0.662 72.5 72.9 -82.0 -12.5 32.9 -33.7 18.1 86 87 A T G 3 S+ 0 0 56 1,-0.2 -1,-0.2 3,-0.0 132,-0.1 0.671 84.0 67.8 -75.6 -16.5 31.9 -34.7 14.6 87 88 A I G < S+ 0 0 8 -3,-0.6 2,-0.4 1,-0.1 -1,-0.2 0.636 101.2 41.7 -83.9 -14.1 34.1 -32.2 12.8 88 89 A H < 0 0 60 -3,-0.8 -1,-0.1 -4,-0.2 404,-0.0 -0.993 360.0 360.0-140.7 132.2 37.4 -33.6 13.7 89 90 A H 0 0 223 -2,-0.4 -3,-0.0 -3,-0.0 -2,-0.0 -0.587 360.0 360.0-140.9 360.0 39.0 -37.0 13.9 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 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.1 42.6 -39.9 23.5 92 97 A E - 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