==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JAN-02 1GSK . COMPND 2 MOLECULE: SPORE COAT PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.J.ENGUITA,P.M.MATIAS,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) . 20112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 62.2 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 . 130 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 . 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 . 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 . 59 11.8 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 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, 0.0 224,-0.0 0.000 360.0 360.0 360.0 160.5 97.1 17.7 1.6 2 3 A L - 0 0 33 1,-0.1 2,-0.3 38,-0.0 231,-0.0 -0.304 360.0-105.2 -61.2 138.2 94.5 19.5 3.6 3 4 A E - 0 0 111 1,-0.1 3,-0.5 2,-0.0 37,-0.1 -0.469 40.7-123.6 -67.9 128.1 91.2 17.7 3.9 4 5 A K S S+ 0 0 44 -2,-0.3 229,-0.1 1,-0.2 -1,-0.1 -0.408 78.2 13.1 -77.5 144.9 88.7 19.5 1.6 5 6 A F S S+ 0 0 20 228,-2.8 -1,-0.2 227,-0.2 228,-0.1 0.880 81.2 116.8 68.0 47.6 85.4 20.9 2.8 6 7 A V + 0 0 33 -3,-0.5 2,-0.4 227,-0.4 -2,-0.1 0.434 62.5 65.1-121.8 -2.3 85.7 20.8 6.6 7 8 A D S S- 0 0 22 226,-0.4 228,-2.1 225,-0.3 -1,-0.1 -0.971 83.8-117.7-120.7 138.2 85.5 24.5 7.4 8 9 A A B -a 235 0A 54 -2,-0.4 228,-0.2 226,-0.2 -2,-0.1 -0.416 37.8 -99.9 -71.2 150.2 82.4 26.7 6.8 9 10 A L - 0 0 10 226,-2.3 -1,-0.1 -2,-0.1 220,-0.1 -0.487 37.7-129.9 -70.1 124.7 82.7 29.6 4.4 10 11 A P - 0 0 46 0, 0.0 221,-0.1 0, 0.0 -1,-0.1 -0.478 11.2-150.4 -70.6 145.1 83.2 32.8 6.3 11 12 A I - 0 0 85 -2,-0.1 3,-0.1 175,-0.1 175,-0.1 -0.969 24.0-126.6-113.1 109.4 80.9 35.7 5.2 12 13 A P - 0 0 20 0, 0.0 44,-0.1 0, 0.0 3,-0.0 -0.263 27.2-112.8 -58.1 141.2 82.8 38.9 5.9 13 14 A D - 0 0 135 1,-0.1 45,-2.0 44,-0.0 2,-0.4 -0.360 31.3-105.9 -69.4 155.1 80.9 41.3 8.0 14 15 A T B -f 58 0B 61 43,-0.2 45,-0.2 -3,-0.1 -1,-0.1 -0.691 40.1-112.2 -82.2 129.8 79.7 44.5 6.4 15 16 A L - 0 0 21 43,-2.8 45,-0.3 -2,-0.4 -1,-0.1 -0.323 24.4-140.1 -63.8 137.9 81.8 47.5 7.6 16 17 A K - 0 0 175 43,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 -0.834 22.8-114.2-100.1 136.5 80.0 50.1 9.8 17 18 A P - 0 0 41 0, 0.0 10,-0.2 0, 0.0 3,-0.2 -0.314 4.6-140.8 -65.3 151.2 80.8 53.7 9.2 18 19 A V S S+ 0 0 78 8,-2.3 2,-0.3 1,-0.3 9,-0.2 0.828 93.3 8.3 -74.5 -37.6 82.5 55.8 11.8 19 20 A Q E S+G 26 0C 109 7,-1.8 7,-3.4 2,-0.0 2,-0.4 -0.994 71.0 177.9-143.6 143.7 80.2 58.7 10.8 20 21 A Q E +G 25 0C 114 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.985 9.0 153.7-153.2 134.8 77.1 58.9 8.6 21 22 A S - 0 0 61 3,-2.2 3,-0.2 -2,-0.4 -2,-0.0 -0.858 60.2 -91.0-141.6 173.7 74.6 61.5 7.5 22 23 A K S S+ 0 0 200 -2,-0.3 44,-0.2 1,-0.2 3,-0.1 0.813 126.9 44.4 -57.6 -28.2 72.4 62.0 4.5 23 24 A E S S+ 0 0 135 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.699 122.0 13.7 -93.4 -22.2 75.3 64.1 3.0 24 25 A K - 0 0 92 -3,-0.2 -3,-2.2 41,-0.1 2,-0.5 -0.981 49.4-156.0-159.3 140.9 78.3 61.9 3.7 25 26 A T E -Gh 20 67C 2 41,-2.5 43,-2.8 -2,-0.3 2,-0.5 -0.988 19.3-166.3-118.1 128.1 79.4 58.5 4.9 26 27 A Y E -Gh 19 68C 31 -7,-3.4 -8,-2.3 -2,-0.5 -7,-1.8 -0.960 6.8-179.3-122.4 125.3 82.9 58.2 6.4 27 28 A Y E - h 0 69C 7 41,-2.9 43,-2.8 -2,-0.5 2,-0.4 -0.862 14.7-152.5-117.0 156.4 84.8 55.0 7.1 28 29 A E E + h 0 70C 74 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.993 13.6 180.0-126.9 129.7 88.1 54.1 8.6 29 30 A V E - h 0 71C 0 41,-2.3 43,-3.0 -2,-0.4 2,-0.5 -0.975 8.0-163.0-131.8 125.3 90.1 51.0 7.6 30 31 A T E - h 0 72C 29 -2,-0.4 21,-2.3 41,-0.2 22,-0.6 -0.911 16.4-134.6-114.5 126.8 93.4 50.1 9.1 31 32 A M E +Ih 50 73C 0 41,-3.2 43,-1.9 -2,-0.5 2,-0.3 -0.621 36.8 172.2 -78.0 123.5 95.9 47.7 7.6 32 33 A E E -I 49 0C 72 17,-2.4 17,-2.9 -2,-0.4 2,-0.4 -0.976 39.0-117.5-134.2 145.9 97.2 45.4 10.4 33 34 A E E +I 48 0C 71 41,-0.5 2,-0.3 -2,-0.3 15,-0.2 -0.707 52.2 160.0 -80.0 139.1 99.3 42.3 10.7 34 35 A C E -I 47 0C 21 13,-2.7 13,-3.0 -2,-0.4 2,-0.4 -0.856 35.6-121.5-151.0 170.5 97.0 39.7 12.2 35 36 A T E +I 46 0C 94 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.998 28.7 167.5-130.4 138.1 96.7 35.9 12.5 36 37 A H E -I 45 0C 61 9,-1.9 9,-2.7 -2,-0.4 2,-0.4 -0.997 37.8-114.8-144.2 144.3 93.9 33.7 11.4 37 38 A Q - 0 0 80 -2,-0.3 3,-0.1 7,-0.3 -2,-0.0 -0.659 23.7-170.2 -79.9 129.8 93.4 30.0 11.0 38 39 A L S S+ 0 0 2 -2,-0.4 194,-2.9 5,-0.4 2,-0.3 0.586 70.3 12.0 -96.1 -13.7 92.9 29.2 7.3 39 40 A H S > S- 0 0 0 3,-0.2 3,-1.9 192,-0.2 -1,-0.2 -0.973 78.8-107.3-161.0 149.9 91.9 25.6 7.8 40 41 A R T 3 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.789 116.9 46.2 -45.6 -40.2 90.9 23.3 10.6 41 42 A D T 3 S+ 0 0 89 -38,-0.1 -1,-0.3 -3,-0.1 -4,-0.0 0.253 98.2 84.5 -96.9 11.0 94.2 21.4 10.6 42 43 A L S < S- 0 0 16 -3,-1.9 -3,-0.2 155,-0.1 154,-0.1 -0.881 77.4-117.8-112.0 149.3 96.6 24.3 10.4 43 44 A P - 0 0 60 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.396 61.0 -73.8 -68.0 158.5 98.1 26.6 13.1 44 45 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.262 50.8-129.5 -60.5 149.9 97.0 30.2 12.6 45 46 A T E -I 36 0C 0 -9,-2.7 -9,-1.9 -3,-0.1 2,-0.4 -0.798 11.6-123.1-107.0 131.9 98.7 32.1 9.7 46 47 A R E +I 35 0C 108 -2,-0.4 153,-0.4 -11,-0.2 2,-0.3 -0.653 46.3 163.8 -73.5 131.6 100.3 35.5 9.9 47 48 A L E -I 34 0C 0 -13,-3.0 -13,-2.7 -2,-0.4 2,-0.5 -0.886 41.4-119.1-141.5 166.3 98.6 37.8 7.4 48 49 A W E +I 33 0C 0 111,-2.5 2,-0.4 -2,-0.3 -15,-0.2 -0.973 43.6 178.2-111.6 126.2 98.1 41.4 6.5 49 50 A G E > -I 32 0C 0 -17,-2.9 -17,-2.4 -2,-0.5 3,-2.2 -0.969 38.6-111.7-137.7 144.7 94.5 42.4 6.7 50 51 A Y E > S-IJ 31 53C 0 3,-0.6 3,-1.5 110,-0.4 -19,-0.2 -0.555 114.8 -4.0 -66.1 123.7 92.2 45.4 6.3 51 52 A N T 3 S- 0 0 51 -21,-2.3 -1,-0.3 -2,-0.3 -20,-0.2 0.759 131.2 -68.6 52.2 29.0 91.0 46.1 9.9 52 53 A G T < S+ 0 0 7 -3,-2.2 2,-0.3 -22,-0.6 -1,-0.3 0.757 109.7 119.3 64.8 29.2 93.0 42.9 10.7 53 54 A L B < -J 50 0C 72 -3,-1.5 -3,-0.6 -19,-0.1 -1,-0.2 -0.938 61.9-122.5-122.1 148.1 90.6 40.7 8.7 54 55 A F S S+ 0 0 20 -2,-0.3 2,-0.2 -5,-0.2 109,-0.1 -0.964 105.7 22.0-135.0 113.4 91.2 38.4 5.7 55 56 A P S S- 0 0 9 0, 0.0 108,-0.2 0, 0.0 -1,-0.2 0.665 111.0-113.2 -71.9 175.2 89.5 39.2 3.5 56 57 A G - 0 0 0 106,-3.1 108,-0.5 104,-0.2 -5,-0.1 -0.074 47.0 -72.8 -63.0 169.2 88.8 42.7 4.6 57 58 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.326 51.8-108.7 -63.2 149.7 85.2 43.8 5.6 58 59 A T B -f 14 0B 6 -45,-2.0 -43,-2.8 105,-0.1 2,-0.5 -0.628 31.2-150.5 -80.4 130.2 82.7 44.0 2.9 59 60 A I E -l 165 0D 0 105,-2.4 107,-2.5 -2,-0.4 2,-0.5 -0.914 11.3-166.2-102.0 130.3 81.8 47.7 2.2 60 61 A E E +l 166 0D 77 -2,-0.5 2,-0.3 -45,-0.3 107,-0.2 -0.968 13.9 164.0-121.5 128.8 78.3 48.3 0.9 61 62 A V E -l 167 0D 2 105,-2.7 107,-2.9 -2,-0.5 2,-0.3 -0.908 31.6-115.0-134.3 163.3 77.1 51.6 -0.6 62 63 A K E > -l 168 0D 127 -2,-0.3 3,-2.5 105,-0.2 107,-0.2 -0.683 45.7 -87.1 -92.5 155.8 74.4 53.1 -2.6 63 64 A R T 3 S+ 0 0 90 105,-2.3 74,-0.2 -2,-0.3 73,-0.1 -0.352 118.4 11.5 -53.9 133.8 74.7 54.5 -6.1 64 65 A N T 3 S+ 0 0 99 72,-3.0 -1,-0.3 1,-0.2 2,-0.2 0.463 87.6 149.9 69.6 3.1 75.6 58.2 -5.6 65 66 A E < - 0 0 22 -3,-2.5 2,-1.3 71,-0.3 -1,-0.2 -0.540 52.3-125.6 -65.8 130.5 76.3 57.8 -1.9 66 67 A N - 0 0 52 -2,-0.2 -41,-2.5 -44,-0.2 2,-0.3 -0.688 42.0-176.6 -85.7 94.1 79.0 60.3 -1.0 67 68 A V E -hK 25 134C 0 67,-2.1 67,-3.0 -2,-1.3 2,-0.4 -0.767 20.0-174.4-104.3 140.4 81.6 58.0 0.6 68 69 A Y E -hK 26 133C 52 -43,-2.8 -41,-2.9 -2,-0.3 2,-0.4 -0.988 2.9-172.9-125.0 139.0 85.0 58.7 2.2 69 70 A V E -hK 27 132C 0 63,-2.1 63,-2.5 -2,-0.4 2,-1.0 -0.977 14.2-154.3-132.4 119.6 87.4 56.0 3.4 70 71 A K E -hK 28 131C 50 -43,-2.8 -41,-2.3 -2,-0.4 2,-0.6 -0.823 17.2-162.2 -88.9 100.6 90.5 56.8 5.4 71 72 A W E -h 29 0C 2 -2,-1.0 2,-0.4 59,-0.7 -41,-0.2 -0.791 12.8-167.3 -84.6 118.8 92.8 53.8 4.5 72 73 A M E -h 30 0C 33 -43,-3.0 -41,-3.2 -2,-0.6 2,-0.7 -0.875 21.0-138.7-114.3 144.5 95.6 53.7 7.1 73 74 A N E +h 31 0C 2 -2,-0.4 46,-2.1 44,-0.4 47,-0.2 -0.875 35.1 153.2 -98.6 109.8 98.8 51.7 7.2 74 75 A N + 0 0 82 -43,-1.9 -41,-0.5 -2,-0.7 -1,-0.1 -0.126 36.8 128.2-121.0 35.5 99.5 50.3 10.8 75 76 A L - 0 0 2 -43,-0.2 43,-0.1 1,-0.2 -43,-0.1 -0.378 69.3 -83.2 -84.2 165.0 101.6 47.4 9.4 76 77 A P - 0 0 37 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 -0.212 37.9-115.8 -62.6 160.4 105.1 46.5 10.7 77 78 A S S S+ 0 0 83 -3,-0.1 16,-0.5 15,-0.1 15,-0.4 0.559 98.8 57.2 -78.5 -7.4 108.0 48.4 9.2 78 79 A T S S- 0 0 90 14,-0.1 2,-0.1 13,-0.1 0, 0.0 -0.963 82.7-125.7-125.9 144.2 109.4 45.3 7.6 79 80 A H - 0 0 20 -2,-0.4 4,-0.1 1,-0.1 -2,-0.1 -0.323 3.6-149.2 -77.3 164.8 107.7 42.9 5.2 80 81 A F S S+ 0 0 42 2,-0.1 -1,-0.1 -2,-0.1 -34,-0.0 0.469 76.5 71.9-111.3 -6.3 107.3 39.2 5.8 81 82 A L S S- 0 0 13 119,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.693 100.7 -81.4-103.1 164.5 107.4 38.1 2.2 82 83 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.501 43.3-156.4 -74.2 117.9 110.5 38.1 -0.0 83 84 A I - 0 0 20 -2,-0.4 2,-0.7 -4,-0.1 69,-0.1 -0.813 5.0-150.0 -94.2 132.3 111.2 41.6 -1.5 84 85 A D > - 0 0 7 -2,-0.4 3,-0.8 67,-0.2 4,-0.2 -0.890 8.9-169.9 -99.4 111.5 113.3 41.8 -4.7 85 86 A H T 3 S+ 0 0 133 -2,-0.7 3,-0.5 1,-0.2 -1,-0.1 0.532 73.1 72.2 -81.5 -3.8 115.1 45.1 -4.6 86 87 A T T 3 S+ 0 0 51 129,-0.3 -1,-0.2 1,-0.2 130,-0.0 0.588 80.3 71.1 -89.9 -4.8 116.3 45.0 -8.2 87 88 A I < 0 0 10 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.1 0.613 360.0 360.0 -87.9 -10.5 113.0 45.6 -9.9 88 89 A H 0 0 125 -3,-0.5 -1,-0.1 -4,-0.2 405,-0.0 -0.997 360.0 360.0-139.3 360.0 112.6 49.3 -9.0 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 0 154 0, 0.0 4,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 132.9 112.3 55.0 0.9 91 98 A P - 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