==== 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 06-MAR-10 2X88 . COMPND 2 MOLECULE: SPORE COAT PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR I.BENTO,C.S.SILVA,Z.CHEN,L.O.MARTINS,P.F.LINDLEY,C.M.SOARES . 504 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 63.7 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 . 66 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.7 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 0 141 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 163.2 -17.5 4.7 24.5 2 3 A L - 0 0 33 1,-0.1 2,-0.2 38,-0.0 40,-0.0 -0.363 360.0-102.7 -66.5 136.2 -20.4 3.3 26.6 3 4 A E - 0 0 109 1,-0.1 3,-0.5 -2,-0.1 37,-0.2 -0.400 41.7-124.0 -63.1 126.1 -20.6 -0.5 26.9 4 5 A K S S+ 0 0 32 1,-0.2 230,-0.1 -2,-0.2 -1,-0.1 -0.402 77.9 11.2 -75.9 145.6 -23.3 -1.8 24.6 5 6 A F S S+ 0 0 19 229,-2.5 -1,-0.2 228,-0.1 229,-0.1 0.865 81.8 117.8 62.8 48.3 -26.2 -4.0 25.8 6 7 A V + 0 0 30 -3,-0.5 2,-0.4 228,-0.4 -2,-0.1 0.472 61.9 67.2-116.2 -9.8 -25.9 -3.7 29.6 7 8 A D S S- 0 0 23 227,-0.4 229,-2.4 226,-0.3 2,-0.1 -0.945 83.0-120.0-115.6 134.0 -29.3 -2.1 30.2 8 9 A A B -a 236 0A 51 -2,-0.4 229,-0.2 227,-0.2 -2,-0.1 -0.422 38.4-100.0 -67.2 143.8 -32.7 -3.7 29.7 9 10 A L - 0 0 11 227,-2.5 2,-0.1 -2,-0.1 221,-0.1 -0.509 36.9-129.1 -65.8 120.5 -35.1 -2.0 27.3 10 11 A P - 0 0 43 0, 0.0 222,-0.1 0, 0.0 -1,-0.1 -0.472 11.4-150.0 -67.8 142.9 -37.7 0.1 29.1 11 12 A I - 0 0 86 -2,-0.1 176,-0.1 176,-0.1 47,-0.0 -0.962 24.0-126.4-110.5 107.5 -41.3 -0.5 28.1 12 13 A P - 0 0 21 0, 0.0 44,-0.1 0, 0.0 3,-0.0 -0.280 27.8-112.3 -55.8 135.7 -43.1 2.8 28.6 13 14 A D - 0 0 131 1,-0.1 45,-1.9 44,-0.0 2,-0.4 -0.350 30.5-107.5 -64.0 148.3 -46.2 2.3 30.8 14 15 A T B -f 58 0B 60 43,-0.2 45,-0.2 1,-0.1 -1,-0.1 -0.682 40.0-112.5 -78.2 128.9 -49.6 2.8 29.1 15 16 A L - 0 0 23 43,-2.7 45,-0.3 -2,-0.4 -1,-0.1 -0.381 25.6-138.9 -66.0 135.8 -51.2 6.1 30.3 16 17 A K - 0 0 170 -2,-0.1 -1,-0.1 43,-0.1 2,-0.0 -0.804 22.3-112.4 -95.2 138.0 -54.3 5.8 32.5 17 18 A P - 0 0 37 0, 0.0 10,-0.2 0, 0.0 3,-0.2 -0.354 6.7-145.3 -66.2 146.7 -57.2 8.2 31.9 18 19 A V S S+ 0 0 79 8,-2.5 2,-0.3 1,-0.3 9,-0.2 0.865 91.9 6.4 -72.3 -41.7 -58.1 10.8 34.5 19 20 A Q E S+G 26 0C 135 7,-1.6 7,-3.3 2,-0.0 -1,-0.3 -0.996 72.8 180.0-141.8 143.3 -61.8 10.2 33.5 20 21 A Q E +G 25 0C 116 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.979 9.6 154.2-149.6 134.1 -63.4 7.8 31.2 21 22 A S - 0 0 59 3,-2.4 -2,-0.0 -2,-0.3 5,-0.0 -0.803 58.6 -92.9-136.6-179.1 -67.0 7.0 30.0 22 23 A K S S+ 0 0 208 -2,-0.2 44,-0.2 1,-0.2 3,-0.1 0.784 125.8 48.2 -64.7 -27.4 -68.5 5.4 26.9 23 24 A E S S+ 0 0 136 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.825 122.8 2.2 -86.2 -36.7 -68.8 8.9 25.5 24 25 A K - 0 0 112 41,-0.1 -3,-2.4 2,-0.0 2,-0.4 -0.998 51.4-145.0-155.6 150.3 -65.3 10.3 26.1 25 26 A T E -Gh 20 67C 3 41,-2.8 43,-2.8 -2,-0.3 2,-0.5 -0.966 19.7-159.3-116.6 133.5 -61.9 9.6 27.5 26 27 A Y E +Gh 19 68C 40 -7,-3.3 -8,-2.5 -2,-0.4 -7,-1.6 -0.955 10.7 178.7-123.2 122.1 -59.9 12.3 29.3 27 28 A Y E - h 0 69C 7 41,-3.1 43,-2.5 -2,-0.5 2,-0.4 -0.857 14.4-154.6-115.2 151.9 -56.1 12.4 29.8 28 29 A E E - h 0 70C 76 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.998 13.3-179.5-125.1 128.6 -53.8 14.9 31.5 29 30 A V E - h 0 71C 0 41,-2.4 43,-3.2 -2,-0.4 2,-0.5 -0.984 6.9-164.7-131.5 122.4 -50.1 15.1 30.4 30 31 A T E - h 0 72C 34 -2,-0.4 21,-2.0 41,-0.2 22,-0.6 -0.922 17.3-134.4-114.7 123.0 -47.7 17.6 32.0 31 32 A M E +Ih 50 73C 0 41,-3.4 43,-1.6 -2,-0.5 2,-0.3 -0.600 36.2 174.3 -73.8 125.5 -44.3 18.5 30.6 32 33 A E E -I 49 0C 65 17,-2.4 17,-2.7 -2,-0.4 2,-0.5 -0.983 36.7-121.4-136.9 143.0 -41.7 18.4 33.4 33 34 A E E +I 48 0C 53 41,-0.4 2,-0.3 -2,-0.3 15,-0.2 -0.778 50.7 159.3 -82.4 125.9 -37.9 18.8 33.7 34 35 A C E -I 47 0C 40 13,-2.7 13,-3.3 -2,-0.5 2,-0.4 -0.846 38.8-113.8-142.4 168.1 -36.7 15.5 35.2 35 36 A T E +I 46 0C 92 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.935 32.6 170.4-113.2 138.7 -33.6 13.4 35.7 36 37 A H E -I 45 0C 61 9,-2.0 9,-3.0 -2,-0.4 2,-0.6 -0.997 35.1-119.8-144.9 142.0 -33.2 9.9 34.2 37 38 A Q - 0 0 87 -2,-0.3 3,-0.1 7,-0.3 161,-0.0 -0.725 23.7-175.5 -81.8 121.5 -30.3 7.4 33.9 38 39 A L + 0 0 1 -2,-0.6 195,-3.1 5,-0.4 2,-0.3 0.634 69.8 13.8 -91.8 -17.1 -29.7 6.8 30.2 39 40 A H S > S- 0 0 0 193,-0.2 3,-1.9 3,-0.2 -1,-0.3 -0.981 76.8-111.4-157.9 149.0 -27.0 4.1 30.7 40 41 A R T 3 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.814 116.8 45.2 -47.8 -39.2 -25.6 2.0 33.6 41 42 A D T 3 S+ 0 0 88 -38,-0.1 -1,-0.3 2,-0.1 -4,-0.0 0.270 99.1 87.9 -97.9 10.2 -22.3 3.9 33.6 42 43 A L S < S- 0 0 17 -3,-1.9 -3,-0.2 156,-0.1 155,-0.1 -0.816 76.2-117.3-109.6 148.3 -23.7 7.4 33.4 43 44 A P - 0 0 58 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.444 60.0 -72.7 -66.9 156.2 -24.8 9.9 36.0 44 45 A P - 0 0 81 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.217 52.4-131.1 -54.5 143.3 -28.5 10.9 35.7 45 46 A T E -I 36 0C 0 -9,-3.0 -9,-2.0 -3,-0.1 2,-0.4 -0.838 9.7-124.4-104.2 131.6 -29.3 13.1 32.7 46 47 A R E +I 35 0C 128 -2,-0.4 154,-0.4 -11,-0.2 2,-0.3 -0.639 47.2 163.3 -71.1 123.5 -31.4 16.3 32.9 47 48 A L E -I 34 0C 1 -13,-3.3 -13,-2.7 -2,-0.4 2,-0.5 -0.894 41.4-120.9-138.9 164.2 -34.3 15.8 30.4 48 49 A W E +I 33 0C 0 112,-2.4 2,-0.4 -2,-0.3 -15,-0.2 -0.961 41.7 175.5-108.2 125.8 -37.7 17.2 29.4 49 50 A G E > -I 32 0C 2 -17,-2.7 -17,-2.4 -2,-0.5 3,-2.0 -0.982 39.7-111.8-138.7 144.0 -40.4 14.6 29.6 50 51 A Y E > S-IJ 31 53C 0 3,-0.7 3,-1.4 111,-0.4 -19,-0.2 -0.607 115.4 -2.6 -67.1 123.7 -44.2 14.2 29.2 51 52 A N T 3 S- 0 0 58 -21,-2.0 -1,-0.3 -2,-0.4 -20,-0.2 0.761 132.6 -67.0 53.2 29.3 -45.4 13.3 32.7 52 53 A G T < S+ 0 0 8 -3,-2.0 2,-0.3 -22,-0.6 -1,-0.2 0.706 109.3 122.2 68.6 23.5 -41.6 13.5 33.6 53 54 A L B < -J 50 0C 71 -3,-1.4 -3,-0.7 -19,-0.0 -1,-0.2 -0.905 60.0-125.6-120.5 144.3 -40.9 10.4 31.5 54 55 A F S S+ 0 0 20 -2,-0.3 2,-0.2 -5,-0.2 110,-0.1 -0.947 105.9 21.9-131.3 111.6 -38.5 9.8 28.5 55 56 A P S S- 0 0 10 0, 0.0 109,-0.2 0, 0.0 -1,-0.2 0.639 111.4-114.7 -70.3 171.8 -40.1 8.7 26.3 56 57 A G - 0 0 1 107,-3.2 109,-0.5 105,-0.2 -5,-0.1 -0.092 47.2 -69.4 -62.1 169.7 -43.5 9.8 27.4 57 58 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.310 52.6-110.1 -61.0 144.2 -46.2 7.4 28.4 58 59 A T B -f 14 0B 4 -45,-1.9 -43,-2.7 106,-0.1 2,-0.5 -0.663 30.6-149.8 -74.8 127.3 -47.6 5.2 25.6 59 60 A I E -l 166 0D 0 106,-2.4 108,-2.8 -2,-0.4 2,-0.5 -0.896 11.7-167.0-101.6 126.3 -51.2 6.2 24.8 60 61 A E E +l 167 0D 70 -2,-0.5 2,-0.3 -45,-0.3 108,-0.2 -0.968 14.4 163.3-119.4 125.7 -53.5 3.5 23.6 61 62 A V E -l 168 0D 2 106,-2.7 108,-2.9 -2,-0.5 2,-0.3 -0.860 31.8-116.9-133.5 165.3 -56.9 4.2 22.1 62 63 A K E > -l 169 0D 126 -2,-0.3 3,-2.1 106,-0.2 108,-0.2 -0.741 44.4 -87.8 -99.7 153.8 -59.6 2.5 19.9 63 64 A R T 3 S+ 0 0 83 106,-2.3 75,-0.2 -2,-0.3 74,-0.1 -0.380 117.5 13.6 -53.7 134.1 -60.7 3.6 16.5 64 65 A N T 3 S+ 0 0 102 73,-2.7 2,-0.4 1,-0.3 -1,-0.3 0.459 89.6 147.6 71.3 4.0 -63.5 6.1 16.9 65 66 A E < - 0 0 26 -3,-2.1 2,-1.3 72,-0.3 -1,-0.3 -0.575 52.2-128.3 -70.7 126.8 -62.7 6.6 20.6 66 67 A N - 0 0 49 -2,-0.4 -41,-2.8 -44,-0.2 2,-0.4 -0.647 38.8-177.5 -80.8 94.3 -63.5 10.2 21.6 67 68 A V E -hK 25 135C 0 68,-2.3 68,-3.3 -2,-1.3 2,-0.4 -0.784 16.8-172.4-105.9 137.3 -60.2 11.2 23.3 68 69 A Y E -hK 26 134C 50 -43,-2.8 -41,-3.1 -2,-0.4 2,-0.4 -0.994 3.2-172.9-124.7 131.9 -59.3 14.4 25.0 69 70 A V E -hK 27 133C 0 64,-2.3 64,-3.0 -2,-0.4 2,-1.0 -0.983 15.3-153.3-127.4 121.0 -55.8 15.3 26.2 70 71 A K E -hK 28 132C 49 -43,-2.5 -41,-2.4 -2,-0.4 2,-0.6 -0.812 17.7-162.4 -88.6 98.4 -54.9 18.3 28.2 71 72 A W E -h 29 0C 2 -2,-1.0 2,-0.4 60,-0.7 -41,-0.2 -0.765 13.1-167.5 -83.4 120.9 -51.2 18.9 27.3 72 73 A M E -h 30 0C 36 -43,-3.2 -41,-3.4 -2,-0.6 2,-0.7 -0.896 20.8-138.8-119.8 141.1 -49.7 21.2 30.0 73 74 A N E +h 31 0C 3 -2,-0.4 47,-2.0 45,-0.3 48,-0.2 -0.867 35.7 151.0 -96.0 109.2 -46.4 23.1 30.2 74 75 A N + 0 0 67 -43,-1.6 -41,-0.4 -2,-0.7 -1,-0.1 -0.147 37.1 128.2-122.1 34.4 -44.8 22.9 33.7 75 76 A L - 0 0 1 -43,-0.2 44,-0.1 1,-0.2 -43,-0.1 -0.388 69.5 -81.9 -83.4 163.4 -41.2 23.3 32.3 76 77 A P - 0 0 36 0, 0.0 -1,-0.2 0, 0.0 43,-0.1 -0.259 37.2-118.6 -59.3 155.9 -38.6 25.8 33.5 77 78 A S S S+ 0 0 83 -3,-0.1 17,-0.6 16,-0.1 16,-0.4 0.552 98.2 56.1 -76.7 -9.0 -38.9 29.3 32.1 78 79 A T S S- 0 0 90 15,-0.1 2,-0.1 14,-0.1 -1,-0.0 -0.975 84.3-123.9-125.0 141.6 -35.4 28.9 30.5 79 80 A H - 0 0 19 -2,-0.4 4,-0.1 1,-0.1 -2,-0.1 -0.352 2.3-149.7 -76.7 158.6 -34.1 26.2 28.1 80 81 A F S S+ 0 0 61 -2,-0.1 -1,-0.1 2,-0.1 -34,-0.0 0.473 79.5 72.5-103.6 -7.2 -31.1 24.1 28.8 81 82 A L S S- 0 0 10 120,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.760 100.3 -85.8-105.7 155.1 -30.2 23.7 25.1 82 83 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.445 41.5-156.7 -70.1 117.5 -28.7 26.5 22.9 83 84 A I - 0 0 21 -2,-0.4 2,-0.7 -4,-0.1 70,-0.1 -0.788 4.9-155.5 -94.2 131.3 -31.4 28.8 21.4 84 85 A D > - 0 0 5 -2,-0.4 3,-0.8 68,-0.2 4,-0.1 -0.923 9.1-175.8-104.3 108.2 -30.6 30.7 18.2 85 86 A H G > S+ 0 0 95 -2,-0.7 3,-0.9 1,-0.2 -1,-0.1 0.591 71.0 78.4 -81.5 -8.8 -32.9 33.8 18.1 86 87 A T G 3 S+ 0 0 49 130,-0.3 -1,-0.2 1,-0.2 131,-0.0 0.664 78.6 71.1 -73.1 -16.2 -31.6 34.9 14.7 87 88 A I G < 0 0 7 -3,-0.8 -1,-0.2 65,-0.1 -2,-0.1 0.616 360.0 360.0 -81.4 -11.5 -33.8 32.3 12.8 88 89 A H < 0 0 131 -3,-0.9 64,-0.0 -4,-0.1 406,-0.0 -0.561 360.0 360.0-122.6 360.0 -37.1 34.1 13.6 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 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.0 -41.9 40.2 24.7 91 97 A E - 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