==== 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 2X87 . 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 . 505 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 64.6 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 . 131 25.9 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 . 69 13.7 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 . 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 0 1 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 3,-0.1 0, 0.0 226,-0.0 0.000 360.0 360.0 360.0 158.2 4.8 -17.2 1.6 2 3 A L - 0 0 36 1,-0.1 2,-0.3 38,-0.0 40,-0.0 -0.266 360.0-102.0 -59.0 135.9 7.3 -19.1 3.8 3 4 A E - 0 0 108 1,-0.1 3,-0.5 2,-0.0 37,-0.2 -0.431 40.2-125.2 -65.4 123.5 10.7 -17.5 4.1 4 5 A K S S+ 0 0 57 -2,-0.3 231,-0.1 1,-0.2 -1,-0.1 -0.395 78.1 11.6 -72.3 142.7 13.2 -19.1 1.8 5 6 A F S S+ 0 0 17 230,-2.5 -1,-0.2 229,-0.1 230,-0.1 0.866 82.0 116.9 65.5 47.9 16.6 -20.5 3.0 6 7 A V + 0 0 32 -3,-0.5 2,-0.4 229,-0.4 -2,-0.1 0.511 61.6 67.8-116.7 -10.9 16.2 -20.5 6.8 7 8 A D S S- 0 0 23 228,-0.4 230,-2.3 227,-0.3 2,-0.1 -0.933 82.9-119.3-112.4 135.4 16.4 -24.2 7.5 8 9 A A B -a 237 0A 52 -2,-0.4 230,-0.2 228,-0.2 -2,-0.1 -0.422 38.6-100.6 -65.7 141.2 19.5 -26.4 7.1 9 10 A L - 0 0 11 228,-2.6 2,-0.1 -2,-0.1 222,-0.1 -0.488 36.0-132.4 -62.7 119.7 19.2 -29.2 4.5 10 11 A P - 0 0 47 0, 0.0 223,-0.1 0, 0.0 -1,-0.1 -0.493 11.6-153.2 -68.8 144.9 18.7 -32.5 6.4 11 12 A I - 0 0 79 -2,-0.1 3,-0.1 177,-0.1 177,-0.1 -0.966 24.7-123.4-117.1 108.2 20.9 -35.4 5.2 12 13 A P - 0 0 22 0, 0.0 44,-0.1 0, 0.0 3,-0.1 -0.249 27.7-113.5 -53.0 134.2 19.1 -38.6 5.9 13 14 A D - 0 0 134 1,-0.1 45,-1.9 44,-0.0 2,-0.4 -0.334 33.7-104.7 -60.0 150.1 21.1 -41.0 8.1 14 15 A T B -f 58 0B 60 43,-0.2 45,-0.2 -3,-0.1 2,-0.1 -0.664 40.6-110.4 -78.5 133.1 22.3 -44.2 6.4 15 16 A L - 0 0 21 43,-2.9 45,-0.3 -2,-0.4 -1,-0.1 -0.414 26.6-139.7 -67.8 137.5 20.2 -47.2 7.5 16 17 A K - 0 0 177 -2,-0.1 -1,-0.1 43,-0.1 3,-0.0 -0.822 22.9-111.6 -97.1 137.5 22.0 -49.7 9.7 17 18 A P - 0 0 39 0, 0.0 10,-0.2 0, 0.0 3,-0.2 -0.333 6.8-143.8 -64.3 145.5 21.3 -53.5 9.1 18 19 A V S S+ 0 0 82 8,-2.3 2,-0.3 1,-0.3 9,-0.2 0.892 93.7 7.2 -68.8 -44.8 19.4 -55.5 11.7 19 20 A Q E S+G 26 0C 133 7,-1.6 7,-3.4 2,-0.0 2,-0.3 -0.997 73.4 179.3-137.6 142.6 21.8 -58.4 10.8 20 21 A Q E +G 25 0C 113 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.969 8.7 156.1-148.3 129.8 24.8 -58.5 8.5 21 22 A S - 0 0 62 3,-3.0 -2,-0.0 -2,-0.3 3,-0.0 -0.762 58.4 -92.5-131.9-176.5 27.3 -61.1 7.5 22 23 A K S S+ 0 0 192 -2,-0.2 44,-0.1 1,-0.2 3,-0.1 0.595 127.2 41.3 -75.1 -10.4 29.6 -61.7 4.5 23 24 A E S S+ 0 0 128 1,-0.3 2,-0.3 42,-0.1 -1,-0.2 0.643 122.6 21.4-105.4 -22.7 26.7 -63.6 2.9 24 25 A K - 0 0 97 41,-0.1 -3,-3.0 2,-0.0 2,-0.5 -0.989 50.0-158.7-157.5 134.9 23.7 -61.6 3.7 25 26 A T E -Gh 20 67C 4 41,-2.6 43,-2.9 -2,-0.3 2,-0.5 -0.984 19.6-164.2-116.4 125.5 22.6 -58.1 4.8 26 27 A Y E -Gh 19 68C 32 -7,-3.4 -8,-2.3 -2,-0.5 -7,-1.6 -0.937 8.1-179.5-119.9 120.8 19.2 -57.9 6.5 27 28 A Y E - h 0 69C 7 41,-2.9 43,-2.9 -2,-0.5 2,-0.4 -0.853 13.6-157.0-114.0 150.7 17.2 -54.6 7.0 28 29 A E E - h 0 70C 71 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.999 12.2-180.0-124.8 130.1 13.9 -53.8 8.6 29 30 A V E - h 0 71C 0 41,-2.3 43,-3.3 -2,-0.4 2,-0.5 -0.992 8.4-162.1-130.3 125.3 11.9 -50.7 7.6 30 31 A T E - h 0 72C 29 -2,-0.4 21,-2.2 41,-0.2 22,-0.6 -0.924 16.5-134.2-113.7 125.2 8.6 -49.9 9.2 31 32 A M E +Ih 50 73C 0 41,-3.3 43,-1.8 -2,-0.5 2,-0.3 -0.639 37.1 173.8 -74.5 123.5 6.1 -47.4 7.7 32 33 A E E -I 49 0C 56 17,-2.4 17,-2.9 -2,-0.5 2,-0.6 -0.969 36.8-123.3-134.8 145.7 4.9 -45.1 10.5 33 34 A E E +I 48 0C 65 41,-0.5 2,-0.3 -2,-0.3 15,-0.2 -0.821 49.6 155.1 -85.8 122.5 2.7 -42.1 10.8 34 35 A X E -I 47 0C 67 13,-2.4 13,-3.2 -2,-0.6 2,-0.4 -0.885 39.4-116.3-141.0 170.1 4.8 -39.4 12.5 35 36 A T E +I 46 0C 92 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.927 31.1 171.5-115.5 139.9 5.0 -35.6 12.7 36 37 A H E -I 45 0C 63 9,-2.3 9,-3.3 -2,-0.4 2,-0.5 -0.997 35.5-115.9-143.7 143.3 8.0 -33.5 11.5 37 38 A Q - 0 0 83 -2,-0.3 3,-0.1 7,-0.3 162,-0.0 -0.679 24.4-174.3 -77.9 126.4 8.5 -29.8 11.1 38 39 A L S S+ 0 0 1 -2,-0.5 196,-3.0 5,-0.4 2,-0.3 0.561 70.1 17.3 -98.0 -12.1 9.0 -29.0 7.4 39 40 A H S > S- 0 0 1 3,-0.2 3,-2.1 194,-0.2 -1,-0.3 -0.976 77.8-112.1-159.3 146.6 9.9 -25.3 7.9 40 41 A R T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.835 117.2 44.2 -43.5 -42.3 11.0 -23.0 10.8 41 42 A D T 3 S+ 0 0 89 -38,-0.1 -1,-0.3 -3,-0.1 -4,-0.0 0.218 98.9 89.4 -99.7 14.4 7.7 -21.2 10.8 42 43 A L S < S- 0 0 9 -3,-2.1 -3,-0.2 157,-0.1 3,-0.1 -0.876 76.7-117.7-112.5 143.7 5.4 -24.1 10.5 43 44 A P - 0 0 57 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.418 60.5 -74.5 -62.6 152.3 3.7 -26.3 13.1 44 45 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.201 52.6-128.8 -54.7 144.4 4.9 -29.9 12.8 45 46 A T E -I 36 0C 0 -9,-3.3 -9,-2.3 -3,-0.1 2,-0.4 -0.818 9.8-124.5-104.2 132.4 3.4 -31.8 9.8 46 47 A R E +I 35 0C 106 -2,-0.4 155,-0.4 -11,-0.2 2,-0.3 -0.625 46.3 163.2 -73.7 127.4 1.7 -35.2 10.0 47 48 A L E -I 34 0C 2 -13,-3.2 -13,-2.4 -2,-0.4 2,-0.5 -0.901 42.4-121.0-143.0 161.6 3.4 -37.5 7.5 48 49 A W E +I 33 0C 0 113,-2.3 2,-0.4 -2,-0.3 -15,-0.2 -0.969 42.7 176.9-108.4 124.3 3.9 -41.2 6.6 49 50 A G E > -I 32 0C 2 -17,-2.9 -17,-2.4 -2,-0.5 3,-2.4 -0.978 39.7-111.4-135.6 142.5 7.5 -42.2 6.7 50 51 A Y E > S-IJ 31 53C 0 3,-0.7 3,-1.8 112,-0.4 -19,-0.2 -0.594 117.3 -1.9 -65.1 124.4 9.8 -45.2 6.3 51 52 A N T 3 S- 0 0 54 -21,-2.2 -1,-0.3 -2,-0.4 -20,-0.2 0.757 132.8 -68.4 52.1 29.3 11.0 -45.7 9.9 52 53 A G T < S+ 0 0 3 -3,-2.4 2,-0.3 -22,-0.6 -1,-0.3 0.682 108.9 123.0 69.7 20.3 8.9 -42.7 10.6 53 54 A L B < -J 50 0C 76 -3,-1.8 -3,-0.7 109,-0.0 -1,-0.2 -0.876 60.1-124.8-116.8 144.7 11.3 -40.4 8.7 54 55 A F S S+ 0 0 19 -2,-0.3 2,-0.2 -5,-0.2 111,-0.1 -0.933 106.0 22.2-131.7 112.6 10.7 -38.1 5.7 55 56 A P S S- 0 0 9 0, 0.0 110,-0.2 0, 0.0 -1,-0.1 0.624 111.5-116.4 -66.0 169.6 12.6 -38.8 3.5 56 57 A G - 0 0 0 108,-3.3 110,-0.5 106,-0.2 -5,-0.1 -0.134 47.1 -67.7 -65.2 170.2 13.2 -42.4 4.6 57 58 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.288 54.1-110.3 -60.2 144.5 16.7 -43.5 5.6 58 59 A T B -f 14 0B 6 -45,-1.9 -43,-2.9 107,-0.1 2,-0.5 -0.628 30.4-147.2 -74.9 131.0 19.3 -43.6 2.9 59 60 A I E -l 167 0D 0 107,-2.5 109,-3.2 -2,-0.4 2,-0.5 -0.906 12.0-166.5-104.5 125.7 20.2 -47.2 2.1 60 61 A E E +l 168 0D 74 -2,-0.5 2,-0.3 -45,-0.3 109,-0.2 -0.954 14.6 164.5-116.0 125.3 23.8 -47.9 0.9 61 62 A V E -l 169 0D 2 107,-2.6 109,-3.2 -2,-0.5 2,-0.3 -0.929 31.9-121.0-133.3 157.9 24.8 -51.2 -0.6 62 63 A K E > -l 170 0D 125 -2,-0.3 3,-2.2 107,-0.2 109,-0.2 -0.684 46.1 -87.8 -91.2 152.8 27.7 -52.5 -2.6 63 64 A R T 3 S+ 0 0 89 107,-2.4 76,-0.2 -2,-0.3 75,-0.1 -0.370 117.8 14.4 -53.7 136.4 27.2 -54.0 -6.1 64 65 A N T 3 S+ 0 0 99 74,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.447 88.2 149.8 70.3 3.3 26.4 -57.8 -5.7 65 66 A E < - 0 0 24 -3,-2.2 2,-1.4 73,-0.3 -1,-0.3 -0.518 52.9-125.6 -67.2 130.6 25.7 -57.3 -2.0 66 67 A N - 0 0 54 -2,-0.2 -41,-2.6 -44,-0.1 2,-0.4 -0.636 42.6-178.0 -83.4 90.5 23.1 -59.9 -1.0 67 68 A V E -hK 25 136C 0 69,-2.0 69,-3.3 -2,-1.4 2,-0.4 -0.738 19.2-175.9-105.5 137.3 20.5 -57.5 0.5 68 69 A Y E -hK 26 135C 46 -43,-2.9 -41,-2.9 -2,-0.4 2,-0.4 -0.985 2.5-172.2-124.0 137.9 17.1 -58.2 2.2 69 70 A V E -hK 27 134C 0 65,-2.0 65,-2.7 -2,-0.4 2,-1.1 -0.971 14.2-153.7-129.7 117.4 14.6 -55.6 3.4 70 71 A K E -hK 28 133C 48 -43,-2.9 -41,-2.3 -2,-0.4 2,-0.6 -0.788 18.5-161.6 -84.7 98.6 11.5 -56.5 5.4 71 72 A W E -h 29 0C 2 -2,-1.1 2,-0.4 61,-0.8 -41,-0.2 -0.763 13.1-168.5 -84.5 120.4 9.3 -53.6 4.5 72 73 A M E -h 30 0C 33 -43,-3.3 -41,-3.3 -2,-0.6 2,-0.6 -0.862 20.2-137.9-118.9 146.6 6.5 -53.4 7.1 73 74 A N E +h 31 0C 2 -2,-0.4 48,-2.2 46,-0.3 49,-0.2 -0.895 33.6 153.6-101.8 115.0 3.3 -51.5 7.3 74 75 A N + 0 0 79 -43,-1.8 -41,-0.5 -2,-0.6 -1,-0.1 -0.221 36.6 130.5-126.0 41.3 2.5 -50.0 10.8 75 76 A L - 0 0 2 -43,-0.2 45,-0.2 1,-0.1 -43,-0.1 -0.525 66.2 -88.0 -90.5 158.8 0.3 -47.2 9.4 76 77 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 -0.219 35.2-117.4 -59.3 159.8 -3.2 -46.3 10.6 77 78 A S S S+ 0 0 85 17,-0.1 18,-0.4 42,-0.1 2,-0.4 0.541 97.8 60.2 -78.5 -10.4 -6.1 -48.0 9.0 78 79 A T S S- 0 0 90 16,-0.1 2,-0.1 15,-0.1 -1,-0.0 -0.970 82.5-128.2-120.8 139.1 -7.5 -44.8 7.6 79 80 A H - 0 0 18 -2,-0.4 4,-0.1 2,-0.1 -2,-0.1 -0.376 1.9-150.1 -75.0 158.7 -5.7 -42.5 5.2 80 81 A F S S+ 0 0 50 -2,-0.1 -1,-0.1 2,-0.1 -34,-0.0 0.446 79.4 73.8-105.3 -5.5 -5.3 -38.8 5.9 81 82 A L S S- 0 0 11 121,-0.1 2,-0.5 1,-0.0 -2,-0.1 -0.758 101.5 -84.2-106.8 155.0 -5.3 -37.9 2.2 82 83 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.426 42.5-154.8 -67.7 112.4 -8.4 -37.9 -0.0 83 84 A I - 0 0 21 -2,-0.5 2,-0.8 -4,-0.1 71,-0.1 -0.751 6.0-146.6 -88.5 126.9 -9.1 -41.4 -1.4 84 85 A D > - 0 0 7 -2,-0.5 3,-0.6 69,-0.3 4,-0.2 -0.852 12.2-172.1 -89.2 110.7 -11.0 -41.7 -4.7 85 86 A H T 3 S+ 0 0 124 -2,-0.8 3,-0.4 132,-0.3 -1,-0.1 0.558 74.6 66.7 -79.7 -8.3 -13.0 -44.9 -4.4 86 87 A T T 3 S+ 0 0 28 131,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.682 82.9 70.2 -89.4 -18.9 -14.2 -44.8 -8.0 87 88 A I S < S+ 0 0 12 -3,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.590 106.0 31.7 -81.1 -10.5 -10.9 -45.4 -9.8 88 89 A H 0 0 59 -3,-0.4 -1,-0.2 -4,-0.2 407,-0.0 -0.985 360.0 360.0-148.7 134.9 -10.6 -49.0 -8.8 89 90 A H 0 0 183 -2,-0.3 -3,-0.0 -3,-0.1 -4,-0.0 -0.925 360.0 360.0-128.5 360.0 -13.1 -51.8 -8.0 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 0 221 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.5 -13.6 -55.5 2.2 92 97 A E - 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