==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-OCT-08 3ES1 . COMPND 2 MOLECULE: CUPIN 2, CONSERVED BARREL DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS DSM 12 . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 60.7 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 . 63 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 20 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 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+4), 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 . 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 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 . 2 2 1 2 0 0 0 4 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 . 2 0 1 0 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 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 3 A E 0 0 179 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 84.8 47.5 35.5 30.0 2 4 A A - 0 0 60 29,-0.0 3,-0.1 0, 0.0 2,-0.0 -0.914 360.0 -79.1-142.6 160.5 46.4 37.8 27.3 3 5 A L - 0 0 111 -2,-0.3 5,-0.1 1,-0.1 2,-0.0 -0.316 60.2 -97.4 -52.7 143.0 44.7 37.1 24.0 4 6 A S > - 0 0 5 4,-2.8 3,-2.3 1,-0.1 31,-0.2 -0.262 28.8-110.7 -62.7 155.4 47.1 35.8 21.3 5 7 A D T 3 S+ 0 0 66 29,-2.3 30,-0.1 1,-0.3 -1,-0.1 0.649 121.7 59.0 -64.5 -13.5 48.5 38.3 18.8 6 8 A S T 3 S- 0 0 17 28,-0.2 -1,-0.3 2,-0.2 29,-0.1 0.475 121.3-110.0 -89.5 -6.4 46.3 36.4 16.2 7 9 A G S < S+ 0 0 46 -3,-2.3 -2,-0.1 1,-0.3 -4,-0.0 0.393 82.6 121.1 86.7 -0.7 43.2 37.3 18.3 8 10 A L S S- 0 0 18 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.512 72.4 -83.1 -90.1 157.0 42.7 33.7 19.3 9 11 A P - 0 0 79 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.168 48.1-102.6 -57.6 151.1 42.7 32.4 22.9 10 12 A P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 -7,-0.1 -0.294 41.3-106.3 -67.4 167.8 46.0 31.7 24.8 11 13 A V E -A 32 0A 27 21,-3.0 21,-2.2 69,-0.0 2,-0.4 -0.849 18.8-140.9-108.1 124.0 47.0 28.1 25.1 12 14 A Q E -A 31 0A 121 -2,-0.5 2,-0.4 19,-0.3 19,-0.2 -0.703 18.6-167.3 -77.3 129.9 46.9 26.0 28.3 13 15 A R E -A 30 0A 18 17,-2.8 17,-1.9 -2,-0.4 2,-0.5 -0.986 5.3-172.5-121.1 126.3 49.8 23.7 28.8 14 16 A V E -A 29 0A 67 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.982 5.9-168.0-121.0 122.5 49.8 20.9 31.4 15 17 A V E -A 28 0A 16 13,-3.1 12,-3.2 -2,-0.5 13,-1.6 -0.932 3.6-157.0-117.6 130.1 53.0 19.0 32.1 16 18 A T E +A 26 0A 102 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.483 20.6 150.0-100.2 165.3 53.3 15.8 34.1 17 19 A G E -A 25 0A 11 8,-2.2 8,-2.8 -2,-0.2 2,-0.3 -0.955 40.2 -86.9-169.5-172.7 56.2 14.3 35.9 18 20 A H E -A 24 0A 118 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.891 31.5-141.6-117.1 143.3 57.4 12.1 38.8 19 21 A D > - 0 0 64 4,-2.1 3,-2.0 -2,-0.3 -1,-0.0 -0.232 41.3 -85.2 -92.3-174.0 58.1 13.2 42.4 20 22 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.621 129.4 56.3 -70.9 -10.1 60.9 12.0 44.7 21 23 A H T 3 S- 0 0 159 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.316 120.0-108.3-103.7 5.3 58.6 9.2 45.8 22 24 A G S < S+ 0 0 50 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.673 73.0 143.1 75.7 17.1 58.2 7.9 42.2 23 25 A R - 0 0 170 1,-0.0 -4,-2.1 0, 0.0 2,-0.5 -0.694 56.8-113.3 -89.5 143.8 54.6 9.2 42.1 24 26 A A E +A 18 0A 87 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.657 51.7 157.9 -78.5 119.7 52.9 10.7 39.0 25 27 A V E -A 17 0A 52 -8,-2.8 -8,-2.2 -2,-0.5 2,-0.5 -0.836 48.2 -86.2-134.7 168.4 52.2 14.4 39.7 26 28 A F E -A 16 0A 169 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.1 -0.759 34.7-174.5 -82.2 127.9 51.6 17.7 37.9 27 29 A K E - 0 0 88 -12,-3.2 2,-0.3 -2,-0.5 -11,-0.2 0.846 61.4 -18.3 -93.1 -43.6 54.9 19.4 37.1 28 30 A S E -A 15 0A 42 -13,-1.6 -13,-3.1 2,-0.0 -1,-0.4 -0.988 49.2-164.3-162.6 156.5 53.6 22.7 35.7 29 31 A E E +A 14 0A 135 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.983 18.2 160.7-146.3 138.0 50.6 24.5 34.2 30 32 A D E -A 13 0A 31 -17,-1.9 -17,-2.8 -2,-0.3 2,-0.5 -0.989 31.6-142.9-152.5 155.4 50.4 27.7 32.3 31 33 A V E +A 12 0A 47 -2,-0.3 -19,-0.3 -19,-0.2 -2,-0.0 -0.981 35.2 171.2-124.7 115.8 48.2 29.7 30.0 32 34 A T E -A 11 0A 39 -21,-2.2 -21,-3.0 -2,-0.5 2,-0.1 -0.971 27.0-124.0-134.9 134.0 50.2 31.5 27.3 33 35 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -30,-0.1 -0.404 25.4-114.6 -73.3 151.3 49.5 33.5 24.1 34 36 A T - 0 0 0 -25,-0.2 -29,-2.3 -26,-0.2 2,-0.3 -0.617 40.0-144.8 -72.4 144.1 50.9 32.8 20.7 35 37 A R E -B 44 0B 145 9,-2.6 9,-3.0 -2,-0.3 47,-0.1 -0.914 14.6 -97.0-122.3 147.9 53.0 35.8 19.7 36 38 A X E -B 43 0B 80 -2,-0.3 7,-0.2 7,-0.3 -1,-0.0 -0.227 29.3-139.3 -62.5 135.9 53.7 37.5 16.4 37 39 A I > - 0 0 53 5,-2.3 3,-1.6 1,-0.1 5,-0.1 -0.611 33.9-100.5 -87.1 161.2 56.8 36.7 14.3 38 40 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.830 119.4 58.3 -54.6 -34.9 58.7 39.6 12.7 39 41 A S T 3 S- 0 0 75 1,-0.1 -3,-0.0 3,-0.0 0, 0.0 0.750 100.4-133.4 -66.6 -23.8 57.1 39.0 9.2 40 42 A G S < S+ 0 0 23 -3,-1.6 -1,-0.1 2,-0.3 3,-0.1 0.507 77.6 110.0 77.0 9.8 53.6 39.5 10.6 41 43 A D S S+ 0 0 43 1,-0.1 43,-2.3 42,-0.1 2,-0.3 0.743 80.9 14.7 -82.5 -26.5 52.4 36.4 8.7 42 44 A A E - C 0 83B 7 41,-0.2 -5,-2.3 -5,-0.1 2,-0.4 -0.960 57.0-143.1-151.3 153.7 51.9 34.1 11.8 43 45 A S E -BC 36 82B 0 39,-2.2 39,-3.2 -2,-0.3 -7,-0.3 -0.996 36.0-174.6-122.0 127.6 51.7 34.2 15.6 44 46 A F E -BC 35 81B 90 -9,-3.0 -9,-2.6 -2,-0.4 2,-0.3 -0.843 24.8-162.2-131.2 161.4 53.3 31.2 17.3 45 47 A L E - C 0 80B 14 35,-2.7 35,-3.2 -2,-0.3 2,-0.3 -0.903 16.4-142.9-144.2 120.3 53.9 29.3 20.6 46 48 A L E + C 0 79B 50 -2,-0.3 33,-0.2 33,-0.2 3,-0.1 -0.607 22.2 175.5 -70.0 132.1 56.5 26.6 21.4 47 49 A V E - 0 0 22 31,-2.6 17,-0.3 1,-0.4 2,-0.3 0.828 54.7 -20.0-107.4 -47.0 55.0 24.1 23.7 48 50 A W E - C 0 78B 61 30,-1.8 30,-3.1 15,-0.2 -1,-0.4 -0.980 48.2-168.4-160.6 159.0 57.6 21.3 24.1 49 51 A T E - C 0 77B 19 -2,-0.3 2,-0.4 28,-0.2 28,-0.2 -0.977 11.2-150.2-145.0 152.3 60.8 19.7 22.7 50 52 A T E - C 0 76B 20 26,-2.3 26,-1.5 -2,-0.3 5,-0.0 -0.981 16.9-140.1-121.6 141.5 62.8 16.6 23.4 51 53 A A S S+ 0 0 61 -2,-0.4 2,-0.3 24,-0.2 -1,-0.1 0.831 85.5 16.4 -69.6 -29.2 66.5 16.6 22.7 52 54 A T S S- 0 0 76 22,-0.1 24,-0.2 23,-0.1 4,-0.2 -0.885 78.9-108.2-135.1 159.8 66.3 13.1 21.2 53 55 A V S S+ 0 0 54 -2,-0.3 2,-0.2 22,-0.2 22,-0.2 -0.975 109.2 50.9-126.5 126.7 63.9 10.6 19.9 54 56 A P S S- 0 0 121 0, 0.0 -2,-0.0 0, 0.0 22,-0.0 0.556 106.8-138.2 -55.3 154.8 63.4 8.2 21.6 55 57 A A - 0 0 55 -2,-0.2 2,-0.4 -4,-0.1 -2,-0.1 -0.039 2.4-120.9 -84.0-174.1 62.8 10.8 24.3 56 58 A D > - 0 0 86 -4,-0.2 3,-1.4 3,-0.1 -5,-0.1 -0.908 16.3-173.0-139.9 103.7 63.8 10.8 28.0 57 59 A N T 3 S+ 0 0 140 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.398 89.6 64.2 -82.6 8.4 61.3 11.0 30.8 58 60 A N T 3 S+ 0 0 142 -41,-0.1 2,-0.8 2,-0.0 -1,-0.2 0.427 79.2 97.3 -99.8 1.1 64.3 11.4 33.2 59 61 A D < - 0 0 49 -3,-1.4 -3,-0.1 1,-0.1 -4,-0.0 -0.794 54.7-172.9 -91.8 108.7 65.1 14.7 31.6 60 62 A E + 0 0 90 -2,-0.8 -1,-0.1 2,-0.1 -3,-0.0 0.379 39.8 127.4 -88.8 0.1 63.5 17.3 33.8 61 63 A T - 0 0 56 1,-0.1 2,-0.5 2,-0.1 5,-0.1 -0.333 69.4-113.2 -55.4 135.7 64.2 20.2 31.4 62 64 A D > - 0 0 47 1,-0.2 3,-1.8 3,-0.1 -1,-0.1 -0.639 23.0-145.1 -68.1 117.8 61.3 22.4 30.4 63 65 A G G > S+ 0 0 1 -2,-0.5 3,-0.7 1,-0.3 -15,-0.2 0.696 97.1 60.3 -62.6 -18.6 61.0 21.7 26.7 64 66 A R G 3 S+ 0 0 40 -17,-0.3 -1,-0.3 1,-0.2 -16,-0.1 0.672 110.5 41.4 -83.4 -14.4 60.1 25.3 26.0 65 67 A Q G < S+ 0 0 144 -3,-1.8 2,-0.4 -16,-0.1 -1,-0.2 -0.050 82.4 136.8-124.9 26.6 63.4 26.4 27.4 66 68 A R < - 0 0 58 -3,-0.7 3,-0.1 -5,-0.1 -3,-0.1 -0.658 56.6-113.9 -84.0 132.2 65.8 23.9 26.0 67 69 A E - 0 0 87 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.276 45.1 -88.7 -55.1 144.6 69.1 25.0 24.5 68 70 A A - 0 0 103 1,-0.1 -1,-0.1 2,-0.0 -17,-0.0 -0.349 47.1-148.9 -60.5 133.3 69.6 24.5 20.8 69 71 A G - 0 0 68 2,-0.2 -1,-0.1 -3,-0.1 4,-0.1 -0.020 18.8-106.7 -88.2-165.7 71.0 21.1 19.8 70 72 A L S S+ 0 0 174 1,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.915 92.0 72.7 -89.9 -76.9 73.2 19.9 17.0 71 73 A T S > S- 0 0 88 1,-0.1 3,-2.8 2,-0.1 -2,-0.2 -0.192 87.6-121.7 -41.8 108.7 71.0 18.0 14.5 72 74 A L T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.414 101.2 5.2 -50.0 126.2 68.8 20.4 12.7 73 75 A D T 3 S+ 0 0 52 1,-0.2 -1,-0.3 -2,-0.1 78,-0.1 0.645 98.3 160.4 62.8 17.8 65.2 19.2 13.5 74 76 A G < - 0 0 20 -3,-2.8 -1,-0.2 76,-0.1 -24,-0.2 -0.226 51.1 -1.3 -58.3 152.1 66.7 16.6 15.9 75 77 A G S S- 0 0 0 -22,-0.2 75,-2.5 -3,-0.1 2,-0.3 -0.296 106.8 -48.9 64.5-143.9 64.5 15.1 18.5 76 78 A S E -CD 50 149B 26 -26,-1.5 -26,-2.3 -24,-0.2 2,-0.3 -0.948 43.2-168.1-132.2 157.1 60.9 16.3 18.7 77 79 A V E -CD 49 148B 28 71,-1.8 71,-2.8 -2,-0.3 2,-0.5 -0.999 4.8-169.6-139.4 132.6 59.0 19.6 18.7 78 80 A I E +CD 48 147B 55 -30,-3.1 -31,-2.6 -2,-0.3 -30,-1.8 -0.990 23.6 157.5-122.1 124.1 55.4 20.6 19.4 79 81 A R E -CD 46 146B 74 67,-2.3 67,-3.2 -2,-0.5 2,-0.5 -0.966 36.8-128.1-137.7 158.7 54.4 24.1 18.6 80 82 A V E -CD 45 145B 10 -35,-3.2 -35,-2.7 -2,-0.3 2,-0.5 -0.926 23.9-168.9-106.8 126.8 51.2 26.0 17.9 81 83 A V E -CD 44 144B 20 63,-2.8 63,-2.7 -2,-0.5 2,-0.7 -0.976 9.1-160.4-121.5 123.3 51.1 28.2 14.7 82 84 A D E -CD 43 143B 0 -39,-3.2 -39,-2.2 -2,-0.5 2,-0.5 -0.916 11.9-153.7-104.6 108.1 48.4 30.7 14.0 83 85 A X E -CD 42 142B 5 59,-2.8 59,-2.3 -2,-0.7 -41,-0.2 -0.699 18.0-132.7 -82.0 124.8 48.4 31.6 10.3 84 86 A L > - 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