==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-FEB-12 4AKO . COMPND 2 MOLECULE: SPORE COAT PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR C.S.SILVA,Z.CHEN,P.DURAO,M.M.PEREIRA,S.TODOROVIC,P.HILDEBRAN . 506 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 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 . 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 . 69 13.6 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 . 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 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 0 140 0, 0.0 3,-0.1 0, 0.0 227,-0.0 0.000 360.0 360.0 360.0 160.8 17.3 4.5 -1.6 2 3 A L - 0 0 36 1,-0.1 2,-0.2 38,-0.0 40,-0.0 -0.291 360.0-103.1 -61.6 135.6 20.3 3.3 -3.7 3 4 A E - 0 0 110 1,-0.1 3,-0.5 2,-0.0 37,-0.2 -0.408 40.7-126.0 -63.7 125.4 20.5 -0.5 -4.1 4 5 A K S S+ 0 0 56 1,-0.2 232,-0.1 -2,-0.2 -1,-0.1 -0.431 77.9 12.2 -75.5 145.0 23.2 -1.9 -1.8 5 6 A F S S+ 0 0 19 231,-2.6 -1,-0.2 230,-0.2 231,-0.1 0.863 81.9 117.4 65.1 46.0 26.1 -4.0 -3.0 6 7 A V + 0 0 32 -3,-0.5 2,-0.4 230,-0.4 -2,-0.1 0.487 62.2 66.8-114.5 -10.1 25.8 -3.7 -6.8 7 8 A D S S- 0 0 22 229,-0.4 231,-2.1 228,-0.3 -1,-0.1 -0.948 83.3-119.1-115.4 134.2 29.2 -2.0 -7.5 8 9 A A B -a 238 0A 52 -2,-0.4 231,-0.2 229,-0.2 -2,-0.1 -0.401 38.1-100.0 -67.6 142.9 32.6 -3.7 -7.0 9 10 A L - 0 0 13 229,-2.7 2,-0.2 -2,-0.1 -1,-0.1 -0.478 36.3-133.7 -63.3 119.0 35.0 -2.1 -4.5 10 11 A P - 0 0 45 0, 0.0 224,-0.1 0, 0.0 -1,-0.1 -0.515 11.5-155.0 -68.9 144.7 37.6 0.1 -6.3 11 12 A I - 0 0 87 -2,-0.2 178,-0.1 178,-0.1 221,-0.0 -0.958 24.3-124.1-118.6 107.9 41.1 -0.4 -5.1 12 13 A P - 0 0 24 0, 0.0 44,-0.1 0, 0.0 3,-0.0 -0.208 27.2-113.0 -53.8 137.6 43.1 2.8 -5.9 13 14 A D - 0 0 138 1,-0.1 45,-1.8 44,-0.0 2,-0.4 -0.352 34.1-103.3 -63.6 151.3 46.2 2.1 -8.1 14 15 A T B -f 58 0B 59 43,-0.2 45,-0.2 1,-0.1 -1,-0.1 -0.668 41.1-110.7 -78.9 130.7 49.5 2.8 -6.4 15 16 A L - 0 0 22 43,-2.8 45,-0.3 -2,-0.4 -1,-0.1 -0.359 26.5-139.4 -64.3 136.8 51.1 6.0 -7.5 16 17 A K - 0 0 174 -2,-0.1 -1,-0.1 43,-0.1 -3,-0.0 -0.834 22.4-112.5 -98.1 135.7 54.2 5.8 -9.7 17 18 A P - 0 0 41 0, 0.0 10,-0.3 0, 0.0 3,-0.2 -0.301 7.0-143.6 -63.4 147.4 57.1 8.2 -9.1 18 19 A V S S+ 0 0 79 8,-2.3 2,-0.3 1,-0.3 9,-0.2 0.864 92.9 7.7 -72.4 -40.1 57.9 10.8 -11.8 19 20 A Q E S+G 26 0C 138 7,-1.8 7,-3.3 2,-0.0 2,-0.3 -0.997 73.1 179.2-141.0 142.3 61.6 10.3 -10.9 20 21 A Q E +G 25 0C 118 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.958 8.7 157.6-150.1 129.2 63.2 7.7 -8.6 21 22 A S - 0 0 61 3,-2.7 -2,-0.0 -2,-0.3 5,-0.0 -0.748 58.0 -94.4-128.1-179.7 66.8 6.9 -7.6 22 23 A K S S+ 0 0 189 -2,-0.2 44,-0.2 1,-0.2 3,-0.1 0.787 127.0 42.4 -63.9 -26.8 68.3 5.1 -4.6 23 24 A E S S+ 0 0 118 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.687 122.1 22.4 -95.1 -22.7 68.6 8.6 -2.9 24 25 A K - 0 0 98 41,-0.1 -3,-2.7 2,-0.0 2,-0.5 -0.981 51.1-159.8-155.6 132.3 65.3 10.3 -3.8 25 26 A T E -Gh 20 67C 3 41,-2.8 43,-2.8 -2,-0.3 2,-0.5 -0.975 19.1-165.5-113.8 124.7 61.8 9.4 -4.8 26 27 A Y E -Gh 19 68C 37 -7,-3.3 -8,-2.3 -2,-0.5 -7,-1.8 -0.944 7.7-179.9-120.0 119.4 59.9 12.3 -6.5 27 28 A Y E - h 0 69C 7 41,-3.1 43,-2.6 -2,-0.5 2,-0.4 -0.827 14.3-154.8-111.9 152.4 56.1 12.3 -7.0 28 29 A E E + h 0 70C 70 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.999 13.1 179.7-124.5 130.6 53.7 14.8 -8.6 29 30 A V E - h 0 71C 1 41,-2.3 43,-3.3 -2,-0.4 2,-0.5 -0.991 7.9-163.7-132.4 124.7 50.1 15.0 -7.6 30 31 A T E - h 0 72C 29 -2,-0.4 21,-2.3 41,-0.2 22,-0.6 -0.932 17.5-133.3-116.3 123.9 47.6 17.5 -9.2 31 32 A M E +Ih 50 73C 0 41,-3.4 43,-1.8 -2,-0.5 2,-0.3 -0.627 36.9 175.5 -74.1 124.3 44.3 18.4 -7.7 32 33 A E E -I 49 0C 61 17,-2.6 17,-2.8 -2,-0.4 2,-0.5 -0.977 36.7-122.0-135.1 142.2 41.7 18.3 -10.5 33 34 A E E +I 48 0C 63 41,-0.5 2,-0.3 -2,-0.3 15,-0.2 -0.757 50.9 160.1 -80.0 125.6 38.0 18.7 -10.8 34 35 A X E -I 47 0C 62 13,-2.5 13,-3.2 -2,-0.5 2,-0.4 -0.880 37.2-118.2-142.3 171.7 36.7 15.5 -12.3 35 36 A T E +I 46 0C 86 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.960 31.4 166.0-120.3 134.2 33.6 13.3 -12.8 36 37 A H E -I 45 0C 60 9,-2.0 9,-3.2 -2,-0.4 2,-0.4 -0.996 37.4-116.5-145.5 143.6 33.1 9.8 -11.5 37 38 A Q - 0 0 83 -2,-0.3 3,-0.1 7,-0.3 -2,-0.0 -0.687 23.1-172.2 -79.4 127.9 30.1 7.5 -11.1 38 39 A L S S+ 0 0 1 -2,-0.4 197,-3.1 5,-0.4 2,-0.3 0.595 70.2 15.2 -96.4 -14.5 29.6 6.7 -7.4 39 40 A H S > S- 0 0 0 3,-0.2 3,-1.9 195,-0.2 -1,-0.3 -0.978 78.1-110.7-158.2 148.9 26.9 4.1 -7.8 40 41 A R T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.823 117.6 44.9 -47.1 -39.3 25.5 2.0 -10.7 41 42 A D T 3 S+ 0 0 88 -38,-0.1 -1,-0.3 2,-0.1 -4,-0.0 0.269 98.9 87.1 -99.3 10.5 22.2 3.9 -10.7 42 43 A L S < S- 0 0 12 -3,-1.9 -3,-0.2 158,-0.1 157,-0.1 -0.856 77.2-116.9-110.3 144.6 23.6 7.5 -10.4 43 44 A P - 0 0 58 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.411 59.6 -74.5 -63.9 154.9 24.8 9.9 -13.1 44 45 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.239 52.6-129.4 -55.9 143.6 28.5 10.8 -12.7 45 46 A T E -I 36 0C 0 -9,-3.2 -9,-2.0 -3,-0.1 2,-0.4 -0.795 9.5-123.1-103.9 133.9 29.4 13.1 -9.8 46 47 A R E +I 35 0C 111 -2,-0.4 156,-0.4 -11,-0.2 2,-0.3 -0.641 46.8 164.0 -73.9 125.7 31.5 16.2 -10.0 47 48 A L E -I 34 0C 1 -13,-3.2 -13,-2.5 -2,-0.4 2,-0.5 -0.878 41.5-122.4-138.2 162.4 34.4 15.8 -7.5 48 49 A W E +I 33 0C 0 114,-2.4 2,-0.4 -2,-0.3 -15,-0.2 -0.980 42.5 176.1-108.2 126.4 37.7 17.2 -6.6 49 50 A G E > -I 32 0C 2 -17,-2.8 -17,-2.6 -2,-0.5 3,-2.2 -0.981 39.6-111.3-137.9 143.1 40.4 14.6 -6.7 50 51 A Y E > S-IJ 31 53C 0 3,-0.6 3,-1.4 113,-0.4 -19,-0.2 -0.580 115.6 -2.5 -65.7 122.7 44.1 14.1 -6.4 51 52 A N T 3 S- 0 0 53 -21,-2.3 -1,-0.3 -2,-0.4 -20,-0.2 0.759 131.9 -68.4 54.3 28.2 45.3 13.3 -9.9 52 53 A G T < S+ 0 0 6 -3,-2.2 2,-0.3 -22,-0.6 -1,-0.2 0.724 109.2 120.4 67.2 25.1 41.6 13.5 -10.7 53 54 A L B < -J 50 0C 78 -3,-1.4 -3,-0.6 -19,-0.1 -1,-0.2 -0.908 61.1-123.9-120.6 147.1 40.8 10.4 -8.7 54 55 A F S S+ 0 0 19 -2,-0.3 2,-0.2 -5,-0.2 112,-0.1 -0.941 106.0 22.5-134.1 112.8 38.5 9.7 -5.7 55 56 A P S S- 0 0 8 0, 0.0 111,-0.2 0, 0.0 -1,-0.2 0.636 111.4-116.1 -67.8 170.8 40.0 8.6 -3.5 56 57 A G - 0 0 1 109,-3.1 111,-0.5 107,-0.2 -5,-0.1 -0.109 47.3 -67.1 -63.8 171.3 43.4 9.8 -4.6 57 58 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.285 53.4-111.2 -61.5 143.9 46.2 7.3 -5.7 58 59 A T B -f 14 0B 5 -45,-1.8 -43,-2.8 108,-0.1 2,-0.5 -0.642 30.4-148.3 -74.9 131.1 47.5 5.1 -2.9 59 60 A I E -l 168 0D 0 108,-2.5 110,-2.9 -2,-0.4 2,-0.5 -0.912 11.5-166.0-104.3 127.1 51.1 6.1 -2.1 60 61 A E E +l 169 0D 74 -2,-0.5 2,-0.3 -45,-0.3 110,-0.2 -0.961 14.6 165.6-117.1 126.7 53.5 3.3 -1.0 61 62 A V E -l 170 0D 2 108,-2.6 110,-3.1 -2,-0.5 2,-0.3 -0.918 31.5-119.6-134.1 158.8 56.8 4.1 0.6 62 63 A K E > -l 171 0D 118 -2,-0.3 3,-2.3 108,-0.2 110,-0.2 -0.706 45.1 -89.1 -92.2 151.2 59.5 2.3 2.6 63 64 A R T 3 S+ 0 0 89 108,-2.2 77,-0.2 -2,-0.3 76,-0.1 -0.370 117.7 14.1 -51.8 134.9 60.6 3.4 6.1 64 65 A N T 3 S+ 0 0 101 75,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.447 88.6 149.8 70.7 3.1 63.4 5.9 5.6 65 66 A E < - 0 0 23 -3,-2.3 2,-1.4 74,-0.3 -1,-0.3 -0.522 52.6-125.9 -67.1 130.3 62.6 6.4 1.9 66 67 A N - 0 0 56 -2,-0.2 -41,-2.8 -44,-0.2 2,-0.4 -0.648 42.8-178.8 -82.7 90.7 63.5 9.9 1.0 67 68 A V E -hK 25 137C 0 70,-2.0 70,-3.2 -2,-1.4 2,-0.4 -0.756 18.8-175.0-106.3 138.7 60.2 11.0 -0.6 68 69 A Y E -hK 26 136C 45 -43,-2.8 -41,-3.1 -2,-0.4 2,-0.4 -0.991 2.0-171.9-126.2 136.6 59.1 14.3 -2.2 69 70 A V E -hK 27 135C 0 66,-2.2 66,-2.6 -2,-0.4 2,-1.1 -0.979 14.1-154.0-129.4 119.3 55.6 15.1 -3.4 70 71 A K E -hK 28 134C 47 -43,-2.6 -41,-2.3 -2,-0.4 2,-0.6 -0.816 18.2-161.0 -86.9 97.6 54.9 18.2 -5.4 71 72 A W E -h 29 0C 2 -2,-1.1 2,-0.3 62,-0.7 -41,-0.2 -0.758 13.7-167.9 -81.1 119.6 51.2 18.7 -4.5 72 73 A M E -h 30 0C 33 -43,-3.3 -41,-3.4 -2,-0.6 2,-0.6 -0.868 19.7-138.1-118.1 145.3 49.7 21.0 -7.1 73 74 A N E +h 31 0C 3 -2,-0.3 49,-2.0 47,-0.3 50,-0.1 -0.896 33.6 153.7-100.5 114.4 46.4 22.9 -7.4 74 75 A N + 0 0 73 -43,-1.8 -41,-0.5 -2,-0.6 -1,-0.1 -0.208 36.9 130.1-125.4 40.3 44.7 22.8 -10.8 75 76 A L - 0 0 6 -43,-0.2 46,-0.1 1,-0.2 -43,-0.1 -0.486 66.3 -86.5 -91.2 160.9 41.2 23.4 -9.4 76 77 A P - 0 0 44 0, 0.0 -1,-0.2 0, 0.0 45,-0.1 -0.228 34.8-118.6 -60.6 158.9 38.6 25.9 -10.6 77 78 A S S S+ 0 0 94 18,-0.1 19,-0.5 2,-0.1 2,-0.4 0.559 98.2 59.4 -78.9 -8.0 38.7 29.4 -9.1 78 79 A T S S- 0 0 93 17,-0.1 2,-0.1 16,-0.1 -1,-0.0 -0.972 83.6-127.2-123.3 136.7 35.2 28.9 -7.6 79 80 A H - 0 0 18 -2,-0.4 4,-0.1 1,-0.1 -2,-0.1 -0.362 2.6-149.6 -72.4 157.5 34.1 26.2 -5.2 80 81 A F S S+ 0 0 50 2,-0.1 -1,-0.1 -2,-0.1 -34,-0.0 0.474 80.2 71.7-103.1 -7.3 31.1 24.0 -6.0 81 82 A L S S- 0 0 11 122,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.755 102.0 -84.9-105.9 155.3 30.3 23.5 -2.3 82 83 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.455 41.5-154.6 -71.6 115.9 28.9 26.3 -0.1 83 84 A I - 0 0 18 -2,-0.4 2,-0.7 -4,-0.1 72,-0.1 -0.759 5.9-146.3 -89.7 127.3 31.5 28.6 1.4 84 85 A D > - 0 0 8 -2,-0.5 3,-0.6 70,-0.2 4,-0.2 -0.857 11.3-170.7 -90.6 113.3 30.8 30.4 4.6 85 86 A H T 3 S+ 0 0 124 -2,-0.7 3,-0.3 133,-0.3 -1,-0.1 0.520 75.2 67.0 -82.8 -5.4 32.6 33.8 4.4 86 87 A T T 3 S+ 0 0 27 132,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.632 82.9 70.8 -91.5 -15.3 31.9 34.7 8.1 87 88 A I S < S+ 0 0 8 -3,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.628 103.9 32.2 -84.5 -13.7 34.0 32.1 9.8 88 89 A H - 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