==== 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 BIOSYNTHETIC PROTEIN 18-FEB-10 3LUU . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 89 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 29.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 155 0, 0.0 3,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 24.9 26.7 35.3 -17.4 2 3 A D > - 0 0 61 1,-0.1 3,-1.5 3,-0.1 4,-0.3 -0.830 360.0-156.6 -93.3 113.4 22.8 35.8 -17.6 3 4 A P G > S+ 0 0 62 0, 0.0 21,-1.1 0, 0.0 22,-1.0 0.790 89.1 66.7 -62.7 -28.1 21.9 38.9 -15.6 4 5 A R G 3 S+ 0 0 147 1,-0.2 -2,-0.0 20,-0.2 21,-0.0 0.806 110.3 35.3 -58.4 -31.8 18.4 37.7 -15.1 5 6 A T G < S+ 0 0 33 -3,-1.5 -1,-0.2 18,-0.1 76,-0.1 0.182 90.8 100.8-114.9 15.3 19.7 34.8 -12.9 6 7 A Q < - 0 0 41 -3,-0.9 18,-1.6 -4,-0.3 2,-0.2 -0.882 65.8-146.4 -98.0 106.5 22.7 36.6 -11.1 7 8 A P E -A 23 0A 40 0, 0.0 16,-0.3 0, 0.0 3,-0.1 -0.533 21.6-178.0 -77.0 138.6 21.5 37.5 -7.7 8 9 A L E S- 0 0 123 14,-3.5 2,-0.3 1,-0.4 15,-0.2 0.743 71.0 -7.5 -99.2 -36.5 22.8 40.8 -6.0 9 10 A E E -A 22 0A 103 13,-1.1 13,-2.6 2,-0.0 2,-0.4 -0.973 55.9-149.1-161.3 150.1 21.0 40.5 -2.7 10 11 A I E -A 21 0A 55 -2,-0.3 11,-0.2 11,-0.2 48,-0.1 -0.988 11.6-175.9-125.9 131.1 18.3 38.3 -0.9 11 12 A R E -A 20 0A 56 9,-3.0 9,-2.4 -2,-0.4 2,-0.7 -0.838 9.3-162.7-131.3 97.0 16.0 39.6 1.7 12 13 A P E -A 19 0A 53 0, 0.0 2,-0.7 0, 0.0 7,-0.2 -0.702 14.6-155.5 -80.1 117.9 13.6 37.2 3.4 13 14 A L E >> -A 18 0A 58 5,-3.3 4,-1.4 -2,-0.7 5,-1.3 -0.835 11.7-171.7-102.1 107.1 10.9 39.4 5.0 14 15 A X T 45S+ 0 0 93 -2,-0.7 -1,-0.2 2,-0.2 5,-0.0 0.828 81.9 49.9 -68.9 -35.2 9.2 37.6 7.9 15 16 A I T 45S+ 0 0 163 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.970 120.9 32.7 -72.3 -51.4 6.5 40.2 8.5 16 17 A S T 45S- 0 0 64 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.609 103.9-131.1 -79.0 -12.9 5.2 40.4 4.9 17 18 A R T <5 + 0 0 100 -4,-1.4 16,-2.5 1,-0.2 17,-0.5 0.888 64.1 117.9 62.3 49.0 6.1 36.7 4.3 18 19 A V E < -AB 13 32A 9 -5,-1.3 -5,-3.3 14,-0.3 2,-0.6 -0.976 57.6-138.2-143.2 147.6 8.0 37.3 1.0 19 20 A X E -AB 12 31A 0 12,-3.3 12,-2.6 -2,-0.3 2,-0.4 -0.954 19.8-157.5-108.0 120.3 11.5 36.7 -0.2 20 21 A E E -AB 11 30A 31 -9,-2.4 -9,-3.0 -2,-0.6 2,-0.4 -0.794 9.2-174.6 -95.8 139.5 13.0 39.6 -2.3 21 22 A V E -AB 10 29A 0 8,-1.9 8,-2.6 -2,-0.4 2,-0.5 -0.988 14.1-149.4-134.8 122.9 15.8 38.9 -4.6 22 23 A D E -AB 9 28A 38 -13,-2.6 -14,-3.5 -2,-0.4 -13,-1.1 -0.826 20.8-161.2 -90.2 132.7 17.6 41.7 -6.5 23 24 A W E > -A 7 0A 2 4,-2.9 3,-1.4 -2,-0.5 -19,-0.1 -0.737 29.8-109.8-116.0 163.9 18.9 40.5 -9.9 24 25 A A T 3 S+ 0 0 49 -18,-1.6 -20,-0.2 -21,-1.1 -19,-0.0 0.669 113.2 64.3 -70.7 -19.6 21.5 41.9 -12.3 25 26 A D T 3 S- 0 0 70 -22,-1.0 -1,-0.3 -19,-0.1 -21,-0.1 0.353 122.2-104.0 -80.0 5.9 18.9 42.9 -15.0 26 27 A G S < S+ 0 0 66 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.389 81.7 131.4 86.7 -2.4 17.5 45.4 -12.4 27 28 A H - 0 0 76 -5,-0.0 -4,-2.9 -23,-0.0 2,-0.4 -0.534 43.6-156.6 -79.5 147.5 14.5 43.2 -11.6 28 29 A T E -B 22 0A 51 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.997 9.9-148.8-119.8 122.7 13.6 42.4 -8.0 29 30 A S E -B 21 0A 0 -8,-2.6 -8,-1.9 -2,-0.4 2,-0.5 -0.693 6.0-163.1 -84.9 141.6 11.5 39.3 -7.5 30 31 A R E +B 20 0A 133 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.903 16.4 178.3-124.0 101.5 9.1 39.2 -4.6 31 32 A L E -B 19 0A 4 -12,-2.6 -12,-3.3 -2,-0.5 57,-0.1 -0.911 26.2-126.0-109.5 121.6 8.2 35.6 -4.0 32 33 A T E > -B 18 0A 57 -2,-0.5 4,-2.6 -14,-0.3 -14,-0.3 -0.347 15.8-125.5 -65.3 146.5 5.8 34.7 -1.2 33 34 A F H > S+ 0 0 0 -16,-2.5 4,-2.3 1,-0.2 5,-0.2 0.891 113.8 55.2 -52.4 -41.2 7.0 32.1 1.4 34 35 A E H > S+ 0 0 81 -17,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.926 107.2 47.6 -58.2 -51.5 3.8 30.2 0.6 35 36 A H H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.931 111.6 50.6 -57.3 -46.8 4.6 30.1 -3.2 36 37 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.908 112.1 48.1 -58.8 -42.8 8.1 29.0 -2.5 37 38 A R H >< S+ 0 0 31 -4,-2.3 3,-1.3 -5,-0.2 -1,-0.2 0.927 111.9 46.2 -66.1 -45.6 6.9 26.2 -0.2 38 39 A V H 3< S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.777 119.6 42.4 -74.4 -22.7 4.2 24.9 -2.6 39 40 A E T 3< S+ 0 0 50 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.138 80.3 144.6 -97.9 12.5 6.7 24.9 -5.5 40 41 A C < - 0 0 17 -3,-1.3 -3,-0.1 1,-0.2 39,-0.1 -0.418 50.6-142.3 -55.6 114.3 9.6 23.5 -3.4 41 42 A P 0 0 75 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.820 360.0 360.0 -53.6 -32.1 11.6 21.3 -5.8 42 43 A C 0 0 64 32,-0.0 -2,-0.1 -3,-0.0 35,-0.1 0.577 360.0 360.0-102.1 360.0 11.9 19.1 -2.8 43 ! 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 44 54 A A 0 0 150 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.9 -3.3 16.3 -11.2 45 55 A Q - 0 0 168 1,-0.0 2,-0.6 2,-0.0 0, 0.0 -0.497 360.0-136.6 -87.4 154.0 -2.7 17.1 -7.6 46 56 A I - 0 0 156 -2,-0.2 2,-0.6 2,-0.0 -1,-0.0 -0.954 18.0-159.5-107.2 113.2 -3.9 20.1 -5.7 47 57 A V + 0 0 84 -2,-0.6 2,-0.2 -9,-0.0 3,-0.1 -0.891 33.0 137.7-101.0 117.4 -1.1 21.4 -3.5 48 58 A T + 0 0 112 -2,-0.6 -2,-0.0 1,-0.1 0, 0.0 -0.762 23.4 72.8-146.8-179.5 -2.6 23.5 -0.7 49 59 A G + 0 0 49 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 0.653 65.6 105.5 80.9 19.1 -2.4 24.4 3.0 50 60 A K > + 0 0 53 1,-0.1 3,-1.5 2,-0.1 -13,-0.1 0.221 35.2 112.6-117.2 18.5 0.9 26.3 3.2 51 61 A E T 3 S+ 0 0 95 1,-0.3 -17,-0.2 -17,-0.0 -1,-0.1 0.769 83.1 45.7 -63.6 -25.7 -0.4 29.9 3.6 52 62 A H T 3 S+ 0 0 147 -3,-0.2 -1,-0.3 -19,-0.1 -2,-0.1 0.448 87.6 113.6 -97.6 5.1 1.0 30.1 7.2 53 63 A V < - 0 0 13 -3,-1.5 2,-0.3 17,-0.0 -16,-0.1 -0.407 47.7-164.3 -78.3 142.8 4.4 28.5 6.4 54 64 A S - 0 0 20 -21,-0.1 17,-2.1 -2,-0.1 2,-0.7 -0.909 26.2-114.5-123.1 158.5 7.5 30.8 6.7 55 65 A V E -C 70 0B 1 -2,-0.3 15,-0.3 15,-0.2 3,-0.1 -0.849 30.0-178.1 -86.0 115.6 11.1 30.6 5.5 56 66 A V E + 0 0 85 13,-3.1 2,-0.3 -2,-0.7 14,-0.2 0.779 65.8 7.5 -88.0 -28.3 13.1 30.3 8.7 57 67 A E E -C 69 0B 117 12,-1.3 12,-2.7 2,-0.0 2,-0.4 -0.991 53.6-153.7-156.1 150.1 16.6 30.3 7.0 58 68 A V E -C 68 0B 33 -2,-0.3 10,-0.2 10,-0.2 -48,-0.0 -0.997 20.4-175.5-124.7 117.2 18.1 30.8 3.6 59 69 A V E -C 67 0B 46 8,-2.6 8,-3.3 -2,-0.4 2,-0.1 -0.969 24.6-123.4-121.5 123.7 21.5 29.0 3.1 60 70 A P E -C 66 0B 96 0, 0.0 2,-0.6 0, 0.0 6,-0.3 -0.414 16.0-153.8 -68.9 143.5 23.6 29.4 -0.1 61 71 A V E >> -C 65 0B 34 4,-2.9 4,-2.0 18,-0.2 3,-0.9 -0.969 59.6 -59.0-119.8 106.1 24.4 26.2 -1.9 62 72 A G T 34 S- 0 0 61 -2,-0.6 -1,-0.0 1,-0.2 0, 0.0 -0.219 93.3 -56.0 52.4-140.5 27.6 26.7 -3.8 63 73 A H T 34 S+ 0 0 183 -3,-0.1 -1,-0.2 1,-0.1 3,-0.0 0.385 132.5 60.2-103.9 -0.6 27.2 29.6 -6.2 64 74 A Y T <4 S+ 0 0 141 -3,-0.9 17,-1.9 16,-0.1 18,-0.3 0.600 104.8 13.8-110.5 -14.0 24.2 28.2 -8.1 65 75 A A E < -CD 61 80B 0 -4,-2.0 -4,-2.9 15,-0.3 2,-0.3 -0.885 53.9-131.0-151.7 173.2 21.4 27.8 -5.5 66 76 A V E -CD 60 79B 4 13,-2.1 13,-3.6 -6,-0.3 2,-0.5 -0.988 18.2-137.9-129.4 147.5 19.9 28.4 -2.0 67 77 A Q E -CD 59 78B 53 -8,-3.3 -8,-2.6 -2,-0.3 2,-0.5 -0.907 20.6-153.0 -99.2 126.4 18.5 25.9 0.4 68 78 A L E -C 58 0B 0 9,-2.1 2,-0.5 -2,-0.5 -10,-0.2 -0.873 1.4-154.4-103.0 131.0 15.3 27.2 2.0 69 79 A H E -C 57 0B 45 -12,-2.7 -13,-3.1 -2,-0.5 -12,-1.3 -0.942 17.2-155.5-102.8 126.7 14.4 25.9 5.5 70 80 A F E > -C 55 0B 7 4,-3.1 3,-1.4 -2,-0.5 -15,-0.2 -0.632 25.3-119.6-107.0 159.3 10.6 26.1 6.2 71 81 A S T 3 S+ 0 0 61 -17,-2.1 -16,-0.1 1,-0.3 -1,-0.1 0.623 109.3 65.2 -75.1 -14.8 8.6 26.4 9.4 72 82 A D T 3 S- 0 0 47 -18,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.314 123.5 -98.8 -85.2 10.7 6.8 23.1 8.7 73 83 A G S < S+ 0 0 65 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.175 82.2 134.5 95.2 -14.1 10.2 21.1 9.0 74 84 A H + 0 0 96 1,-0.2 -4,-3.1 -5,-0.1 -1,-0.3 -0.509 13.7 152.5 -79.5 130.6 10.8 20.9 5.3 75 85 A N + 0 0 28 -2,-0.3 2,-0.2 -6,-0.2 -1,-0.2 0.321 43.5 90.9-152.1 -3.9 14.4 21.8 4.5 76 86 A T + 0 0 103 -34,-0.1 -8,-0.1 -9,-0.1 -36,-0.0 -0.377 48.7 113.2 -71.4 175.8 15.2 20.0 1.4 77 87 A G - 0 0 0 -2,-0.2 -9,-2.1 -35,-0.1 2,-0.6 0.625 42.8-170.1 106.6 83.0 14.3 22.4 -1.3 78 88 A I E -D 67 0B 57 -11,-0.2 2,-0.6 -13,-0.0 -11,-0.2 -0.951 11.2-161.5 -99.0 121.5 17.4 23.5 -3.1 79 89 A F E -D 66 0B 0 -13,-3.6 -13,-2.1 -2,-0.6 -18,-0.2 -0.945 5.8-145.9-110.5 116.2 16.3 26.3 -5.3 80 90 A T E > -D 65 0B 51 -2,-0.6 4,-2.5 -15,-0.2 -15,-0.3 -0.416 24.6-116.4 -73.6 155.6 18.5 27.3 -8.2 81 91 A W H > S+ 0 0 30 -17,-1.9 4,-2.6 2,-0.2 5,-0.2 0.909 118.3 53.8 -54.5 -43.4 18.7 30.9 -9.2 82 92 A E H > S+ 0 0 71 -18,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.920 109.3 47.8 -58.6 -47.5 17.2 30.0 -12.6 83 93 A Y H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.912 110.7 50.6 -60.9 -46.0 14.3 28.3 -10.8 84 94 A L H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.932 111.2 48.5 -59.7 -45.4 13.6 31.2 -8.5 85 95 A R H >< S+ 0 0 43 -4,-2.6 3,-1.1 1,-0.2 4,-0.3 0.911 109.4 53.4 -59.8 -42.6 13.6 33.6 -11.4 86 96 A R H >X S+ 0 0 137 -4,-2.2 3,-1.3 1,-0.2 4,-1.1 0.810 99.1 63.3 -60.5 -35.4 11.2 31.3 -13.3 87 97 A L H 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.725 84.8 75.9 -64.4 -22.4 8.8 31.3 -10.3 88 98 A D T << S+ 0 0 56 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.806 113.3 22.4 -57.8 -28.7 8.4 35.1 -10.8 89 99 A A T <4 0 0 100 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.547 360.0 360.0-111.0 -9.6 6.1 34.1 -13.8 90 100 A E < 0 0 112 -4,-1.1 0, 0.0 0, 0.0 0, 0.0 -0.704 360.0 360.0-137.0 360.0 5.0 30.5 -13.0