==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND BINDING PROTEIN 24-OCT-06 2NNC . COMPND 2 MOLECULE: SULFUR COVALENTLY-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBIUM LIMICOLA; . AUTHOR J.STOUT,G.VAN DRIESSCHE,S.N.SAVVIDES,J.VAN BEEUMEN . 225 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 38.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 2 3 2 2 0 2 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 0 0 0 1 0 0 0 1 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 8 A S > 0 0 131 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -84.3 18.8 68.3 39.6 2 9 A A H > + 0 0 62 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 360.0 54.9 -71.6 -40.6 21.2 65.5 38.4 3 10 A S H > S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.910 108.0 49.8 -57.4 -45.4 22.4 65.1 42.0 4 11 A K H > S+ 0 0 86 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.916 110.0 49.0 -61.4 -49.3 18.8 64.6 43.2 5 12 A L H X S+ 0 0 18 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.917 113.3 47.5 -55.0 -45.1 18.0 62.0 40.6 6 13 A D H X S+ 0 0 76 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.895 110.8 51.3 -69.3 -38.9 21.2 60.2 41.5 7 14 A D H X S+ 0 0 110 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.925 112.1 47.4 -59.1 -47.5 20.4 60.4 45.2 8 15 A A H X S+ 0 0 17 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.894 113.0 48.1 -58.5 -44.8 16.9 59.0 44.5 9 16 A I H X S+ 0 0 9 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.909 109.1 54.0 -64.9 -42.7 18.3 56.2 42.4 10 17 A A H X S+ 0 0 41 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.833 104.4 54.4 -60.3 -36.8 20.9 55.3 45.0 11 18 A A H < S+ 0 0 91 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.836 115.3 40.3 -69.7 -34.8 18.3 54.9 47.7 12 19 A K H < S+ 0 0 61 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.938 135.3 15.0 -70.6 -51.1 16.4 52.4 45.6 13 20 A F H < S- 0 0 17 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.532 93.0-132.3-109.4 -10.3 19.3 50.5 44.2 14 21 A G < - 0 0 36 -4,-2.7 2,-1.3 -5,-0.3 -1,-0.3 -0.406 61.5 -32.6 76.2-165.6 22.4 51.3 46.2 15 22 A S S S+ 0 0 129 -2,-0.1 -1,-0.1 -4,-0.1 -5,-0.1 -0.641 85.0 144.8 -90.6 77.4 25.7 52.2 44.5 16 23 A L - 0 0 58 -2,-1.3 2,-0.2 82,-0.0 82,-0.1 -0.785 57.8 -92.2-110.2 158.0 25.5 50.2 41.3 17 24 A P - 0 0 81 0, 0.0 82,-3.2 0, 0.0 2,-0.4 -0.519 40.9-155.8 -71.1 137.2 26.9 51.3 37.9 18 25 A I E +a 99 0A 57 -2,-0.2 2,-0.3 80,-0.2 82,-0.2 -0.885 16.1 171.8-111.0 143.7 24.3 53.0 35.7 19 26 A Q E -a 100 0A 97 80,-1.3 82,-2.4 -2,-0.4 2,-0.0 -0.986 38.1-100.6-145.8 144.9 24.4 53.3 31.9 20 27 A E E -a 101 0A 109 -2,-0.3 2,-0.4 80,-0.2 82,-0.2 -0.374 42.3-170.1 -61.6 147.0 21.9 54.6 29.3 21 28 A S - 0 0 23 80,-2.4 3,-0.3 3,-0.1 79,-0.0 -0.998 32.9-162.5-143.1 135.3 20.0 51.8 27.6 22 29 A T S S+ 0 0 140 -2,-0.4 80,-0.1 1,-0.2 -1,-0.1 0.323 84.5 85.9 -88.8 2.2 17.6 51.7 24.6 23 30 A A S S+ 0 0 26 78,-0.1 22,-2.0 21,-0.1 23,-0.7 0.163 76.9 78.9 -86.0 16.3 16.3 48.3 25.9 24 31 A I E S-J 44 0B 9 -3,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.999 72.9-154.7-122.4 121.9 13.9 50.3 28.1 25 32 A Q E -J 43 0B 85 18,-2.2 18,-2.2 -2,-0.4 2,-0.4 -0.857 9.6-172.7-103.1 130.2 10.8 51.6 26.3 26 33 A I E -J 42 0B 17 -2,-0.4 2,-0.5 16,-0.2 16,-0.2 -0.977 1.4-170.3-123.3 119.7 8.9 54.7 27.6 27 34 A K E +J 41 0B 93 14,-3.0 14,-2.4 -2,-0.4 77,-0.0 -0.947 27.0 132.8-111.1 125.4 5.6 55.8 26.0 28 35 A A - 0 0 13 -2,-0.5 12,-0.1 12,-0.2 -2,-0.1 -0.918 60.9 -84.0-161.1 154.1 4.1 59.1 27.0 29 36 A P - 0 0 44 0, 0.0 78,-0.1 0, 0.0 3,-0.1 -0.364 30.9-131.0 -64.9 145.8 2.7 62.0 25.0 30 37 A E S S+ 0 0 139 1,-0.2 77,-2.3 76,-0.1 2,-0.3 0.889 93.7 19.8 -61.5 -43.2 5.2 64.5 23.5 31 38 A I E S-o 107 0C 83 75,-0.2 2,-0.3 55,-0.0 77,-0.2 -0.970 73.1-172.0-132.0 147.5 3.1 67.4 24.9 32 39 A A E -o 108 0C 8 75,-2.2 77,-2.5 -2,-0.3 2,-0.2 -0.964 27.3-105.4-139.1 149.9 0.5 67.5 27.6 33 40 A E > - 0 0 146 -2,-0.3 3,-2.1 75,-0.2 50,-0.3 -0.533 49.4 -94.1 -72.6 140.5 -2.1 70.0 29.1 34 41 A N T 3 S+ 0 0 86 75,-0.3 50,-0.2 1,-0.3 -1,-0.1 -0.362 111.1 8.2 -52.7 122.4 -1.3 71.5 32.5 35 42 A G T 3 S+ 0 0 31 48,-2.6 -1,-0.3 1,-0.3 49,-0.1 0.290 96.1 137.2 91.1 -8.4 -3.0 69.4 35.2 36 43 A A < - 0 0 29 -3,-2.1 47,-2.0 47,-0.4 2,-0.4 -0.414 57.8-121.6 -77.1 143.6 -4.0 66.6 32.9 37 44 A F E - K 0 82B 83 45,-0.2 45,-0.2 -2,-0.1 -4,-0.1 -0.711 36.5-163.8 -73.7 135.5 -3.7 62.9 33.7 38 45 A V E - K 0 81B 8 43,-1.9 43,-2.5 -2,-0.4 2,-0.4 -0.969 20.2-116.6-129.1 134.5 -1.6 61.4 31.0 39 46 A P E + K 0 80B 70 0, 0.0 2,-0.4 0, 0.0 41,-0.2 -0.620 35.7 179.6 -73.2 130.1 -1.1 57.7 30.1 40 47 A V E - K 0 79B 0 39,-2.9 39,-3.0 -2,-0.4 2,-0.4 -0.998 5.5-176.3-128.1 131.9 2.5 56.6 30.6 41 48 A T E -JK 27 78B 31 -14,-2.4 -14,-3.0 -2,-0.4 2,-0.4 -0.993 2.5-170.6-127.1 140.8 3.7 53.1 30.0 42 49 A V E +JK 26 77B 1 35,-3.3 35,-2.7 -2,-0.4 2,-0.3 -0.976 11.8 164.5-126.0 143.9 7.2 51.7 30.6 43 50 A A E -JK 25 76B 24 -18,-2.2 -18,-2.2 -2,-0.4 2,-0.3 -0.954 16.1-154.8-146.6 165.6 8.7 48.3 29.5 44 51 A T E -J 24 0B 4 31,-1.2 -20,-0.2 -2,-0.3 -21,-0.1 -0.986 18.2-165.3-150.4 147.4 12.0 46.5 29.2 45 52 A S + 0 0 48 -22,-2.0 -21,-0.1 -2,-0.3 -1,-0.1 0.445 50.5 128.4-101.3 -3.5 13.5 43.7 27.1 46 53 A I > - 0 0 20 -23,-0.7 3,-1.9 1,-0.1 26,-0.3 -0.386 54.7-145.3 -61.4 113.4 16.6 43.2 29.4 47 54 A P T 3 S+ 0 0 106 0, 0.0 25,-2.2 0, 0.0 27,-0.2 0.878 91.8 44.7 -53.8 -51.0 16.5 39.5 30.1 48 55 A G T 3 S+ 0 0 32 23,-0.2 48,-0.6 47,-0.1 -2,-0.1 0.306 79.6 144.6 -77.4 10.6 17.9 39.5 33.7 49 56 A A E < +B 95 0A 2 -3,-1.9 24,-0.4 46,-0.2 46,-0.3 -0.301 17.9 167.9 -61.7 123.2 15.7 42.5 34.8 50 57 A T E + 0 0 48 44,-2.7 19,-2.3 1,-0.3 2,-0.3 0.380 67.5 24.9-109.7 -5.8 14.6 42.1 38.5 51 58 A N E -BC 94 68A 2 43,-1.0 43,-1.7 17,-0.2 2,-0.4 -0.956 50.5-170.3-157.1 142.6 13.3 45.7 38.8 52 59 A I E -BC 93 67A 1 15,-1.5 15,-2.7 -2,-0.3 2,-0.3 -0.979 19.8-176.5-130.4 122.4 11.9 48.5 36.8 53 60 A S E -BC 92 66A 0 39,-2.8 39,-2.3 -2,-0.4 2,-0.5 -0.910 16.1-145.2-120.5 148.0 11.5 51.9 38.6 54 61 A I E -BC 91 65A 2 11,-2.8 10,-2.7 -2,-0.3 11,-1.3 -0.961 17.0-170.9-119.7 123.4 10.0 55.2 37.4 55 62 A F E -BC 90 63A 0 35,-3.5 35,-2.9 -2,-0.5 8,-0.2 -0.891 20.7-172.7-115.2 143.5 11.4 58.5 38.6 56 63 A T > - 0 0 0 6,-3.0 3,-2.2 -2,-0.4 33,-0.1 -0.794 14.7-174.8-128.4 83.5 10.2 62.1 38.2 57 64 A P T 3 S+ 0 0 30 0, 0.0 6,-0.1 0, 0.0 32,-0.1 0.665 76.6 60.6 -66.6 -17.3 13.1 63.9 39.7 58 65 A A T 3 S+ 0 0 80 30,-0.3 2,-0.1 4,-0.1 29,-0.0 0.691 93.8 85.2 -76.4 -18.7 11.5 67.3 39.5 59 66 A N S < S- 0 0 58 -3,-2.2 -3,-0.1 2,-0.2 4,-0.0 -0.346 89.9-111.5 -89.5 163.1 8.7 66.3 41.8 60 67 A F S S+ 0 0 205 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.865 118.0 42.7 -56.2 -41.0 8.4 66.2 45.6 61 68 A S S S- 0 0 47 1,-0.1 -1,-0.2 -5,-0.1 -5,-0.2 -0.913 76.7-171.3-105.5 97.2 8.3 62.4 45.5 62 69 A P + 0 0 45 0, 0.0 -6,-3.0 0, 0.0 2,-0.6 0.802 69.8 65.4 -68.4 -25.1 11.0 61.6 42.9 63 70 A M E +C 55 0A 52 -8,-0.2 -8,-0.2 1,-0.2 3,-0.1 -0.861 55.7 173.3-101.1 119.8 10.1 57.9 42.8 64 71 A V E - 0 0 7 -10,-2.7 124,-1.8 -2,-0.6 2,-0.3 0.803 64.1 -3.2 -91.2 -34.4 6.7 57.3 41.3 65 72 A A E -CD 54 187A 4 -11,-1.3 -11,-2.8 122,-0.2 2,-0.3 -0.988 49.2-161.9-164.6 150.9 6.7 53.5 41.1 66 73 A S E -CD 53 186A 4 120,-2.5 120,-2.6 -2,-0.3 2,-0.7 -0.966 6.6-165.9-145.5 118.7 8.9 50.4 41.6 67 74 A F E -CD 52 185A 1 -15,-2.7 -15,-1.5 -2,-0.3 2,-0.4 -0.891 4.9-164.3-114.6 99.1 8.2 46.9 40.1 68 75 A D E +CD 51 184A 61 116,-2.7 116,-2.3 -2,-0.7 2,-0.3 -0.722 22.8 165.4 -78.6 128.9 10.1 44.1 41.6 69 76 A V E - 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