==== 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 2NNF . 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) . 11231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.2 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 3.6 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 0 3 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 0 124 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -69.0 19.3 69.4 40.3 2 9 A A H > + 0 0 63 2,-0.2 4,-2.9 3,-0.1 5,-0.2 0.877 360.0 54.7 -72.9 -41.8 21.6 66.6 39.2 3 10 A S H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.920 109.7 46.2 -53.3 -50.0 22.9 66.6 42.8 4 11 A K H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 112.8 49.5 -62.3 -45.9 19.3 66.1 44.1 5 12 A L H X S+ 0 0 19 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.938 111.2 48.9 -58.4 -48.7 18.6 63.4 41.5 6 13 A D H X S+ 0 0 78 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.858 109.4 53.0 -60.7 -38.1 21.8 61.5 42.3 7 14 A D H X S+ 0 0 111 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.937 110.3 47.3 -62.8 -48.0 21.0 61.7 46.0 8 15 A A H X S+ 0 0 20 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.919 113.9 48.0 -57.4 -46.4 17.5 60.2 45.5 9 16 A I H X S+ 0 0 10 -4,-2.8 4,-2.9 1,-0.2 3,-0.4 0.932 110.7 51.3 -60.4 -44.8 19.0 57.4 43.3 10 17 A A H X S+ 0 0 46 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.862 106.1 54.8 -62.2 -37.3 21.7 56.7 45.9 11 18 A A H < S+ 0 0 95 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.798 116.3 38.0 -68.3 -30.4 19.2 56.3 48.7 12 19 A K H < S+ 0 0 73 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.898 135.9 15.0 -80.7 -47.3 17.2 53.7 46.7 13 20 A F H < S- 0 0 20 -4,-2.9 -3,-0.2 1,-0.3 2,-0.2 0.618 90.6-139.2-109.8 -16.3 20.1 51.8 45.1 14 21 A G < - 0 0 35 -4,-2.3 2,-1.2 -5,-0.4 -1,-0.3 -0.550 61.1 -21.7 81.4-152.5 23.3 52.7 46.9 15 22 A S S S+ 0 0 128 -2,-0.2 -1,-0.1 -4,-0.1 -5,-0.1 -0.666 84.2 145.2 -97.9 80.6 26.6 53.3 45.0 16 23 A L - 0 0 54 -2,-1.2 82,-0.1 82,-0.0 2,-0.1 -0.873 56.8 -96.9-116.7 150.4 26.2 51.5 41.7 17 24 A P - 0 0 79 0, 0.0 82,-3.1 0, 0.0 2,-0.4 -0.439 41.3-158.5 -59.9 129.7 27.5 52.3 38.3 18 25 A I E +a 99 0A 58 80,-0.2 2,-0.3 -2,-0.1 82,-0.2 -0.922 15.0 172.8-108.0 139.7 24.8 54.1 36.3 19 26 A Q E -a 100 0A 103 80,-1.5 82,-2.2 -2,-0.4 2,-0.1 -0.990 35.4-104.3-140.0 150.6 24.7 54.3 32.5 20 27 A E E -a 101 0A 107 -2,-0.3 2,-0.3 80,-0.2 82,-0.2 -0.382 40.7-170.9 -66.4 152.1 22.2 55.6 29.9 21 28 A S - 0 0 25 80,-2.3 3,-0.4 -2,-0.1 79,-0.0 -0.985 34.2-158.9-150.7 134.4 20.2 52.9 28.1 22 29 A T S S+ 0 0 144 -2,-0.3 -1,-0.1 1,-0.2 80,-0.1 0.419 85.4 85.6 -87.1 0.8 17.8 52.7 25.1 23 30 A A S S+ 0 0 29 78,-0.1 22,-1.7 21,-0.1 23,-0.7 0.114 76.1 80.8 -86.0 20.1 16.5 49.4 26.5 24 31 A I E S-J 44 0B 11 -3,-0.4 2,-0.4 20,-0.2 20,-0.2 -1.000 71.1-153.8-123.5 124.2 14.1 51.4 28.7 25 32 A Q E -J 43 0B 73 18,-2.2 18,-2.1 -2,-0.4 2,-0.5 -0.863 9.7-171.9-104.2 132.7 10.9 52.7 27.1 26 33 A I E -J 42 0B 15 -2,-0.4 2,-0.6 16,-0.2 16,-0.2 -0.958 3.2-168.4-122.0 113.5 9.0 55.7 28.3 27 34 A K E +J 41 0B 98 14,-3.5 14,-2.4 -2,-0.5 77,-0.0 -0.899 30.3 129.2-103.4 119.6 5.6 56.4 26.8 28 35 A A - 0 0 16 -2,-0.6 12,-0.1 12,-0.2 2,-0.1 -0.960 61.7 -85.2-157.7 153.4 4.2 59.9 27.6 29 36 A P - 0 0 48 0, 0.0 78,-0.1 0, 0.0 3,-0.1 -0.416 30.9-131.1 -62.2 142.5 2.7 62.8 25.6 30 37 A E S S+ 0 0 156 1,-0.2 77,-2.2 76,-0.1 2,-0.3 0.872 93.0 16.9 -55.7 -43.1 5.2 65.2 24.2 31 38 A I E S-o 107 0C 75 75,-0.2 2,-0.3 55,-0.0 77,-0.2 -0.965 71.6-169.9-135.7 149.6 3.1 68.1 25.7 32 39 A A E -o 108 0C 11 75,-2.3 77,-2.1 -2,-0.3 2,-0.2 -0.946 26.2-105.9-137.0 159.4 0.3 68.3 28.3 33 40 A E E > -o 109 0C 140 -2,-0.3 3,-2.0 75,-0.2 50,-0.3 -0.600 47.9 -94.2 -82.1 144.2 -2.2 70.7 29.6 34 41 A N T 3 S+ 0 0 93 75,-1.7 50,-0.2 1,-0.3 -1,-0.1 -0.369 111.6 11.1 -57.7 127.7 -1.7 72.3 33.0 35 42 A G T 3 S+ 0 0 29 48,-2.8 -1,-0.3 1,-0.3 49,-0.1 0.315 97.0 133.4 86.8 -8.7 -3.5 70.3 35.6 36 43 A A < - 0 0 32 -3,-2.0 47,-1.8 47,-0.3 2,-0.5 -0.420 62.3-116.1 -75.8 149.3 -4.3 67.4 33.3 37 44 A F E - K 0 82B 93 45,-0.2 45,-0.3 -3,-0.1 -4,-0.1 -0.784 33.6-151.0 -81.0 124.0 -3.7 63.8 34.3 38 45 A V E - K 0 81B 3 43,-3.4 43,-2.7 -2,-0.5 2,-0.3 -0.857 8.7-131.2-104.7 124.0 -1.0 62.4 32.0 39 46 A P E - K 0 80B 63 0, 0.0 2,-0.4 0, 0.0 41,-0.2 -0.590 29.9-175.8 -69.0 132.2 -0.8 58.7 31.1 40 47 A V E - K 0 79B 1 39,-2.8 39,-2.7 -2,-0.3 2,-0.4 -0.999 8.8-176.8-132.6 131.0 2.7 57.4 31.6 41 48 A T E -JK 27 78B 30 -14,-2.4 -14,-3.5 -2,-0.4 2,-0.4 -0.996 1.7-174.5-127.3 132.3 4.0 53.9 30.7 42 49 A V E +JK 26 77B 2 35,-2.7 35,-2.8 -2,-0.4 2,-0.3 -0.987 10.8 163.3-126.0 140.1 7.5 52.6 31.4 43 50 A A E -JK 25 76B 24 -18,-2.1 -18,-2.2 -2,-0.4 2,-0.3 -0.909 16.4-157.2-143.8 165.2 8.9 49.3 30.3 44 51 A T E -J 24 0B 8 31,-1.0 -20,-0.2 -2,-0.3 -21,-0.1 -0.982 18.0-163.3-149.7 148.5 12.2 47.5 29.9 45 52 A S + 0 0 67 -22,-1.7 -21,-0.1 -2,-0.3 -1,-0.1 0.325 50.5 129.4-105.6 3.0 13.6 44.7 28.0 46 53 A I > - 0 0 17 -23,-0.7 3,-1.2 1,-0.1 26,-0.2 -0.428 56.7-139.9 -62.9 122.8 16.8 44.3 30.1 47 54 A P T 3 S+ 0 0 107 0, 0.0 25,-2.5 0, 0.0 27,-0.3 0.923 89.9 36.4 -58.9 -55.0 16.9 40.6 31.0 48 55 A G T 3 S+ 0 0 29 23,-0.2 48,-0.8 24,-0.1 2,-0.2 -0.043 78.5 148.7 -94.2 34.8 18.0 40.5 34.6 49 56 A A E < +B 95 0A 2 -3,-1.2 24,-0.3 46,-0.2 46,-0.2 -0.521 17.9 172.8 -65.6 128.3 16.1 43.6 35.8 50 57 A T E + 0 0 52 44,-2.4 19,-2.1 1,-0.3 2,-0.3 0.369 66.4 27.2-114.5 -6.0 15.0 43.2 39.4 51 58 A N E -BC 94 68A 1 43,-0.9 43,-1.8 17,-0.2 2,-0.4 -0.977 50.9-171.7-154.4 144.8 13.8 46.8 39.8 52 59 A I E -BC 93 67A 2 15,-1.3 15,-2.6 -2,-0.3 2,-0.3 -0.964 19.4-176.2-134.7 122.6 12.4 49.6 37.8 53 60 A S E -BC 92 66A 0 39,-2.8 39,-2.4 -2,-0.4 2,-0.5 -0.916 15.2-146.2-123.8 144.8 12.0 53.0 39.6 54 61 A I E -BC 91 65A 2 11,-2.5 10,-2.4 -2,-0.3 11,-1.2 -0.944 16.3-171.0-119.6 123.1 10.5 56.3 38.4 55 62 A F E -BC 90 63A 1 35,-3.6 35,-2.8 -2,-0.5 8,-0.2 -0.886 19.0-171.6-116.7 146.5 11.8 59.7 39.6 56 63 A T > - 0 0 0 6,-2.7 3,-2.1 -2,-0.3 33,-0.1 -0.786 9.5-175.0-131.9 81.6 10.6 63.2 39.1 57 64 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 32,-0.1 0.716 77.7 64.6 -54.4 -24.6 13.4 65.3 40.4 58 65 A A T 3 S+ 0 0 74 30,-0.4 2,-0.2 4,-0.1 28,-0.0 0.584 94.3 79.1 -74.2 -9.6 11.4 68.6 40.1 59 66 A N S < S- 0 0 72 -3,-2.1 -3,-0.1 2,-0.1 4,-0.0 -0.571 88.8-111.0-108.1 164.6 8.9 67.5 42.7 60 67 A F S S+ 0 0 203 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.866 116.7 43.3 -57.4 -44.6 8.6 67.4 46.5 61 68 A S S S- 0 0 52 1,-0.1 -1,-0.2 -5,-0.1 -5,-0.2 -0.897 75.7-168.9 -99.6 101.0 8.7 63.6 46.4 62 69 A P S S+ 0 0 49 0, 0.0 -6,-2.7 0, 0.0 2,-0.6 0.725 71.0 64.6 -69.6 -17.5 11.4 62.8 43.9 63 70 A M E +C 55 0A 53 -8,-0.2 -8,-0.2 1,-0.1 3,-0.1 -0.917 54.4 172.3-110.3 120.4 10.5 59.1 43.7 64 71 A V E - 0 0 7 -10,-2.4 124,-1.9 -2,-0.6 2,-0.3 0.810 63.3 -2.1 -91.6 -36.4 7.1 58.3 42.4 65 72 A A E -CD 54 187A 4 -11,-1.2 -11,-2.5 122,-0.2 2,-0.3 -0.994 49.0-161.9-163.3 150.3 7.2 54.4 42.1 66 73 A S E -CD 53 186A 5 120,-2.8 120,-2.7 -2,-0.3 2,-0.6 -0.966 6.4-164.7-146.4 122.0 9.3 51.4 42.6 67 74 A F E -CD 52 185A 2 -15,-2.6 -15,-1.3 -2,-0.3 2,-0.5 -0.898 3.0-164.0-118.7 101.7 8.7 48.0 41.1 68 75 A D E +CD 51 184A 63 116,-2.7 116,-2.3 -2,-0.6 2,-0.3 -0.750 25.4 162.7 -82.4 124.9 10.6 45.0 42.6 69 76 A V E - 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