==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-APR-03 1OF0 . COMPND 2 MOLECULE: SPORE COAT PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.J.ENGUITA,D.MARCAL,R.GRENHA,L.O.MARTINS,A.O.HENRIQUES, . 502 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 63.3 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 . 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 8.6 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 . 4 0.8 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 . 9 2 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 . 0 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 0 153 0, 0.0 3,-0.1 0, 0.0 224,-0.0 0.000 360.0 360.0 360.0 136.3 4.9 18.0 21.1 2 3 A L - 0 0 34 1,-0.1 2,-0.3 38,-0.0 231,-0.0 -0.168 360.0-100.2 -55.9 145.3 7.6 19.6 18.8 3 4 A E - 0 0 109 1,-0.1 3,-0.4 2,-0.0 2,-0.2 -0.508 42.9-122.6 -69.4 130.9 10.9 17.8 18.6 4 5 A K S S+ 0 0 54 -2,-0.3 229,-0.1 1,-0.2 -1,-0.1 -0.482 79.0 13.1 -80.3 145.3 13.4 19.5 20.9 5 6 A F S S+ 0 0 20 228,-2.4 -1,-0.2 -2,-0.2 228,-0.1 0.895 81.1 116.7 63.5 50.5 16.8 20.9 19.6 6 7 A V + 0 0 32 227,-0.5 2,-0.4 -3,-0.4 -2,-0.1 0.552 61.6 66.2-118.7 -14.0 16.4 20.9 15.9 7 8 A D S S- 0 0 23 226,-0.4 228,-2.2 225,-0.3 2,-0.1 -0.897 83.1-120.1-110.7 138.3 16.6 24.6 15.1 8 9 A A B -a 235 0A 50 -2,-0.4 228,-0.2 226,-0.2 -2,-0.1 -0.436 39.1 -95.0 -73.7 151.0 19.8 26.7 15.7 9 10 A L - 0 0 12 226,-2.3 2,-0.1 -2,-0.1 -1,-0.1 -0.487 37.7-130.9 -68.7 122.0 19.6 29.6 18.1 10 11 A P - 0 0 44 0, 0.0 221,-0.1 0, 0.0 -1,-0.1 -0.491 12.0-152.4 -73.0 143.7 18.9 32.9 16.3 11 12 A I - 0 0 81 -2,-0.1 175,-0.1 175,-0.1 47,-0.0 -0.917 23.5-126.9-117.1 100.5 21.2 35.7 17.3 12 13 A P - 0 0 22 0, 0.0 44,-0.1 0, 0.0 3,-0.0 -0.146 26.4-113.2 -47.9 134.5 19.3 39.0 16.8 13 14 A D - 0 0 125 1,-0.1 45,-2.1 44,-0.0 2,-0.5 -0.322 30.9-107.1 -67.2 154.8 21.2 41.5 14.6 14 15 A T B -f 58 0B 64 43,-0.2 45,-0.2 1,-0.1 -1,-0.1 -0.736 39.7-110.7 -86.8 128.9 22.4 44.6 16.2 15 16 A L - 0 0 21 43,-2.9 45,-0.3 -2,-0.5 -1,-0.1 -0.347 27.1-139.4 -61.6 133.6 20.3 47.6 15.1 16 17 A K - 0 0 180 -2,-0.1 -1,-0.1 43,-0.1 43,-0.0 -0.817 23.4-110.2 -98.1 136.6 22.1 50.1 12.9 17 18 A P - 0 0 43 0, 0.0 10,-0.2 0, 0.0 3,-0.2 -0.233 5.6-144.5 -63.5 146.3 21.5 53.9 13.4 18 19 A V S S+ 0 0 67 8,-2.6 2,-0.3 1,-0.4 9,-0.2 0.855 92.9 0.9 -76.5 -36.4 19.6 56.0 10.9 19 20 A Q E S+G 26 0C 136 7,-1.6 7,-3.7 2,-0.0 -1,-0.4 -0.980 72.6 179.4-152.5 138.3 22.0 58.8 11.8 20 21 A Q E +G 25 0C 113 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.998 7.4 158.4-146.5 140.7 25.0 59.0 14.2 21 22 A S - 0 0 56 3,-2.9 -2,-0.0 -2,-0.3 0, 0.0 -0.843 57.4 -91.0-145.1 179.4 27.5 61.6 15.3 22 23 A K S S+ 0 0 187 -2,-0.3 44,-0.2 1,-0.2 3,-0.1 0.763 128.4 41.5 -69.0 -22.6 29.8 62.2 18.2 23 24 A E S S+ 0 0 123 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.664 123.7 15.2 -98.1 -19.8 27.0 64.2 19.8 24 25 A K - 0 0 104 41,-0.1 -3,-2.9 2,-0.0 2,-0.4 -0.990 47.8-154.7-161.2 148.7 24.0 62.0 19.0 25 26 A T E -Gh 20 67C 2 41,-2.6 43,-2.5 -2,-0.3 2,-0.5 -0.989 18.7-163.8-124.2 123.8 22.7 58.6 17.8 26 27 A Y E +Gh 19 68C 43 -7,-3.7 -8,-2.6 -2,-0.4 -7,-1.6 -0.938 9.0 179.3-117.0 122.2 19.3 58.4 16.1 27 28 A Y E - h 0 69C 8 41,-3.2 43,-2.5 -2,-0.5 2,-0.4 -0.829 13.5-157.5-117.1 155.0 17.3 55.1 15.7 28 29 A E E - h 0 70C 72 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.996 11.2-178.5-133.9 125.1 14.0 54.3 14.1 29 30 A V E - h 0 71C 0 41,-1.8 43,-3.0 -2,-0.4 2,-0.5 -0.993 8.2-160.8-128.2 128.0 12.0 51.2 15.0 30 31 A T E - h 0 72C 31 -2,-0.4 21,-3.1 41,-0.2 22,-0.6 -0.930 14.7-136.1-114.6 125.7 8.7 50.3 13.5 31 32 A M E +Ih 50 73C 0 41,-3.2 43,-1.3 -2,-0.5 2,-0.3 -0.608 37.1 171.3 -75.6 127.5 6.2 47.8 15.0 32 33 A E E -I 49 0C 71 17,-2.3 17,-2.9 -2,-0.4 2,-0.3 -0.994 39.1-115.9-143.8 148.7 4.9 45.5 12.3 33 34 A E E +I 48 0C 75 41,-0.4 2,-0.3 -2,-0.3 15,-0.3 -0.653 50.9 160.5 -77.8 135.6 2.8 42.4 11.9 34 35 A C E -I 47 0C 23 13,-3.3 13,-4.1 -2,-0.3 2,-0.4 -0.941 36.6-119.0-150.7 169.8 5.0 39.7 10.4 35 36 A T E +I 46 0C 95 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.940 31.1 168.4-118.9 139.5 5.3 36.0 9.9 36 37 A H E -I 45 0C 54 9,-2.2 9,-2.7 -2,-0.4 2,-0.6 -0.997 35.9-119.9-149.0 145.2 8.1 33.8 11.3 37 38 A Q - 0 0 91 -2,-0.3 3,-0.1 7,-0.2 -2,-0.0 -0.769 22.8-175.4 -87.1 123.3 8.7 30.1 11.7 38 39 A L + 0 0 2 -2,-0.6 194,-3.2 5,-0.4 2,-0.3 0.562 69.8 18.8 -94.0 -10.1 9.2 29.3 15.4 39 40 A H S > S- 0 0 1 192,-0.2 3,-2.0 3,-0.2 -1,-0.2 -0.984 76.6-112.4-159.6 148.7 10.1 25.7 14.7 40 41 A R T 3 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.819 116.7 42.3 -49.1 -38.7 11.2 23.3 12.0 41 42 A D T 3 S+ 0 0 87 -38,-0.1 -1,-0.3 -3,-0.0 -4,-0.0 0.115 98.6 91.6-102.2 24.2 7.9 21.5 11.9 42 43 A L S < S- 0 0 20 -3,-2.0 -3,-0.2 155,-0.1 3,-0.1 -0.881 74.4-119.3-119.1 149.0 5.5 24.4 12.2 43 44 A P - 0 0 58 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.367 59.8 -72.2 -73.2 165.3 3.8 26.5 9.5 44 45 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.225 52.1-132.8 -59.7 153.3 4.8 30.2 9.7 45 46 A T E -I 36 0C 0 -9,-2.7 -9,-2.2 -3,-0.1 2,-0.6 -0.899 8.5-125.9-112.7 138.0 3.4 32.1 12.7 46 47 A R E +I 35 0C 108 -2,-0.4 153,-0.4 -11,-0.2 2,-0.3 -0.712 45.0 161.1 -82.7 120.8 1.7 35.6 12.6 47 48 A L E -I 34 0C 0 -13,-4.1 -13,-3.3 -2,-0.6 2,-0.5 -0.804 40.9-121.5-134.1 173.3 3.5 37.9 15.1 48 49 A W E +I 33 0C 0 111,-2.2 2,-0.4 -15,-0.3 -15,-0.2 -0.978 41.2 174.8-117.0 127.6 4.0 41.6 15.9 49 50 A G E > -I 32 0C 0 -17,-2.9 3,-2.7 -2,-0.5 -17,-2.3 -0.992 41.1-107.7-145.4 147.1 7.6 42.7 15.9 50 51 A Y E > S-IJ 31 53C 0 3,-0.6 3,-1.7 110,-0.4 -19,-0.2 -0.544 116.9 -4.7 -65.2 122.0 9.8 45.7 16.3 51 52 A N T 3 S- 0 0 57 -21,-3.1 -1,-0.3 -2,-0.4 -20,-0.2 0.724 130.6 -68.1 59.7 24.4 11.1 46.2 12.7 52 53 A G T < S+ 0 0 10 -3,-2.7 2,-0.4 -22,-0.6 -1,-0.3 0.719 107.7 123.6 70.9 22.5 9.1 43.0 11.9 53 54 A L B < -J 50 0C 67 -3,-1.7 -3,-0.6 -19,-0.1 -1,-0.2 -0.913 58.7-127.6-119.5 143.1 11.5 40.9 14.0 54 55 A F S S+ 0 0 19 -2,-0.4 2,-0.2 -5,-0.2 109,-0.1 -0.936 105.8 23.7-131.4 110.4 10.9 38.5 16.9 55 56 A P S S- 0 0 11 0, 0.0 108,-0.2 0, 0.0 3,-0.1 0.607 112.7-115.1 -67.6 172.3 12.7 39.2 19.1 56 57 A G - 0 0 1 106,-3.4 108,-0.5 -2,-0.2 -5,-0.1 -0.218 47.4 -71.7 -69.5 168.9 13.2 42.8 18.1 57 58 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.271 52.6-108.6 -63.1 149.4 16.7 43.9 17.0 58 59 A T B -f 14 0B 6 -45,-2.1 -43,-2.9 105,-0.1 2,-0.5 -0.655 29.9-149.2 -80.9 132.1 19.3 44.2 19.7 59 60 A I E -l 165 0D 0 105,-2.3 107,-3.5 -2,-0.4 2,-0.5 -0.901 10.7-166.3-106.3 126.6 20.3 47.7 20.5 60 61 A E E +l 166 0D 78 -2,-0.5 2,-0.3 -45,-0.3 107,-0.2 -0.954 14.9 161.8-117.8 125.7 23.9 48.5 21.7 61 62 A V E -l 167 0D 1 105,-2.9 107,-3.6 -2,-0.5 2,-0.3 -0.880 32.3-120.2-135.1 165.7 24.9 51.8 23.2 62 63 A K E > -l 168 0D 123 -2,-0.3 3,-2.1 105,-0.2 107,-0.2 -0.717 46.5 -84.1-103.6 157.5 27.8 53.1 25.4 63 64 A R T 3 S+ 0 0 94 105,-2.0 74,-0.2 -2,-0.3 73,-0.1 -0.349 117.6 12.3 -59.6 139.2 27.3 54.7 28.8 64 65 A N T 3 S+ 0 0 95 72,-4.0 -1,-0.3 1,-0.3 2,-0.2 0.548 88.1 150.8 69.1 7.4 26.4 58.4 28.4 65 66 A E < - 0 0 26 -3,-2.1 2,-1.4 71,-0.3 -1,-0.3 -0.558 52.7-123.9 -70.2 134.9 25.8 57.9 24.6 66 67 A N - 0 0 55 -2,-0.2 -41,-2.6 -44,-0.2 2,-0.3 -0.674 43.5-178.4 -83.5 93.4 23.2 60.5 23.6 67 68 A V E -hK 25 134C 0 67,-1.9 67,-3.2 -2,-1.4 2,-0.4 -0.756 20.2-175.6-105.5 143.6 20.5 58.2 22.1 68 69 A Y E -hK 26 133C 58 -43,-2.5 -41,-3.2 -2,-0.3 2,-0.4 -0.998 2.9-174.2-131.6 133.1 17.2 58.8 20.5 69 70 A V E -hK 27 132C 0 63,-2.0 63,-2.8 -2,-0.4 2,-1.1 -0.986 14.6-153.7-131.0 123.5 14.7 56.2 19.3 70 71 A K E -hK 28 131C 49 -43,-2.5 -41,-1.8 -2,-0.4 2,-0.6 -0.801 16.0-160.9 -96.9 96.6 11.6 56.9 17.4 71 72 A W E -h 29 0C 4 -2,-1.1 2,-0.4 59,-0.7 -41,-0.2 -0.691 13.9-167.9 -79.3 120.5 9.3 54.0 18.2 72 73 A M E -h 30 0C 37 -43,-3.0 -41,-3.2 -2,-0.6 2,-0.6 -0.877 19.4-139.7-117.7 146.3 6.5 53.9 15.6 73 74 A N E +h 31 0C 2 -2,-0.4 46,-2.3 44,-0.3 47,-0.2 -0.891 34.1 152.3-102.6 115.0 3.2 51.9 15.4 74 75 A N + 0 0 74 -43,-1.3 -41,-0.4 -2,-0.6 -1,-0.1 -0.152 35.0 128.2-133.0 38.4 2.5 50.5 12.0 75 76 A L - 0 0 1 1,-0.2 43,-0.1 -43,-0.2 -43,-0.1 -0.356 68.8 -80.4 -88.9 169.4 0.4 47.6 13.1 76 77 A P - 0 0 34 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 -0.171 39.8-116.8 -62.5 167.2 -3.1 46.6 12.0 77 78 A S S S+ 0 0 82 -3,-0.1 16,-0.7 15,-0.1 2,-0.4 0.649 98.4 55.1 -82.9 -14.6 -6.0 48.6 13.5 78 79 A T S S- 0 0 93 14,-0.1 2,-0.0 13,-0.1 0, 0.0 -0.918 83.8-125.4-119.2 145.9 -7.4 45.4 15.1 79 80 A H - 0 0 17 -2,-0.4 4,-0.1 2,-0.1 -2,-0.1 -0.256 4.0-148.3 -79.1 172.2 -5.6 43.0 17.5 80 81 A F S S+ 0 0 49 2,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.377 75.6 74.6-120.9 -1.4 -5.4 39.3 16.8 81 82 A L S S- 0 0 14 119,-0.1 2,-0.4 1,-0.1 -2,-0.1 -0.728 100.0 -77.8-108.4 160.3 -5.4 38.2 20.4 82 83 A P - 0 0 31 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.404 46.1-160.3 -62.3 114.4 -8.3 38.1 22.9 83 84 A I - 0 0 20 -2,-0.4 2,-0.8 -4,-0.1 69,-0.1 -0.855 7.8-150.7-102.2 127.3 -9.1 41.6 24.2 84 85 A D > - 0 0 6 -2,-0.5 3,-0.8 67,-0.2 4,-0.2 -0.848 9.4-172.2 -95.3 109.2 -11.1 42.0 27.4 85 86 A H T 3 S+ 0 0 129 -2,-0.8 3,-0.3 1,-0.2 -1,-0.1 0.488 74.5 70.2 -81.2 -1.1 -13.0 45.3 27.2 86 87 A T T 3 S+ 0 0 54 129,-0.3 -1,-0.2 1,-0.2 130,-0.0 0.559 81.6 69.5 -93.5 -8.1 -14.2 45.1 30.8 87 88 A I < 0 0 15 -3,-0.8 -1,-0.2 64,-0.1 -2,-0.1 0.608 360.0 360.0 -86.0 -9.7 -10.9 45.8 32.6 88 89 A H 0 0 129 -3,-0.3 -1,-0.1 -4,-0.2 405,-0.0 -0.989 360.0 360.0-144.0 360.0 -10.7 49.4 31.5 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 97 A E 0 0 146 0, 0.0 4,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 110.0 -10.2 54.9 22.0 91 98 A P - 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