==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-DEC-08 3FGB . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN Q89ZH8_BACTN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR S.M.VOROBIEV,S.LEW,J.SEETHARAMAN,D.LEE,L.E.FOOTE, . 698 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 61.7 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 . 300 43.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 59 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 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 4 5 13 14 2 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 . 0 0 12 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 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 35 A D 0 0 130 0, 0.0 22,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 169.8 9.1 -15.5 85.7 2 36 A L E -A 22 0A 30 20,-2.6 20,-2.8 345,-0.0 2,-0.5 -0.489 360.0-123.0 -89.7 164.3 10.1 -13.3 82.8 3 37 A T E -A 21 0A 3 345,-0.3 345,-2.4 18,-0.2 2,-0.4 -0.955 28.3-159.6-111.2 129.9 12.5 -14.5 80.1 4 38 A X E -AB 20 347A 0 16,-2.9 16,-2.3 -2,-0.5 2,-0.4 -0.920 8.1-161.0-117.2 134.9 15.5 -12.2 79.6 5 39 A I E -AB 19 346A 1 341,-2.8 341,-2.0 -2,-0.4 2,-0.5 -0.935 7.8-161.7-114.5 135.9 17.9 -12.0 76.7 6 40 A V E -AB 18 345A 0 12,-2.7 12,-1.5 -2,-0.4 2,-0.3 -0.966 1.6-159.0-123.1 126.3 21.4 -10.4 76.9 7 41 A G E - B 0 344A 0 337,-2.4 336,-2.5 -2,-0.5 337,-1.1 -0.729 17.5-179.1 -99.7 151.2 23.5 -9.1 74.1 8 42 A T E - B 0 342A 0 -2,-0.3 2,-0.5 8,-0.3 333,-0.2 -0.807 36.5-105.9-140.3 174.9 27.3 -8.7 74.4 9 43 A Y - 0 0 40 332,-1.3 3,-0.5 331,-0.4 5,-0.3 -0.953 34.8-152.7-103.0 127.9 30.5 -7.7 72.6 10 44 A T + 0 0 24 -2,-0.5 -1,-0.1 1,-0.2 331,-0.1 0.144 65.5 102.9 -96.6 22.0 32.2 -10.9 71.8 11 45 A S S S+ 0 0 95 330,-0.1 -1,-0.2 27,-0.0 330,-0.0 0.802 90.9 30.9 -71.6 -27.6 35.9 -10.0 71.7 12 46 A G S S- 0 0 44 -3,-0.5 -2,-0.0 328,-0.1 328,-0.0 0.393 127.2 -37.1 -99.4-126.3 36.4 -11.5 75.2 13 47 A D S S+ 0 0 78 2,-0.0 -3,-0.1 0, 0.0 328,-0.0 0.803 102.0 98.6 -74.6 -32.9 34.7 -14.4 77.0 14 48 A S - 0 0 7 -5,-0.3 3,-0.1 1,-0.1 4,-0.0 -0.244 52.7-163.3 -62.0 144.8 31.2 -13.9 75.7 15 49 A K - 0 0 101 2,-0.1 22,-1.9 23,-0.1 2,-0.3 0.510 53.6 -89.9-103.9 -9.3 29.9 -16.0 72.8 16 50 A G E S+ C 0 36A 0 20,-0.3 -8,-0.3 -7,-0.1 2,-0.3 -0.860 88.3 29.7 145.4-110.7 27.0 -13.8 71.9 17 51 A L E - C 0 35A 0 18,-2.2 18,-2.0 -2,-0.3 2,-0.4 -0.640 54.5-166.7 -92.9 150.2 23.4 -14.0 73.2 18 52 A Y E -AC 6 34A 37 -12,-1.5 -12,-2.7 -2,-0.3 2,-0.4 -0.998 4.3-157.0-138.5 129.4 22.4 -15.3 76.6 19 53 A S E +A 5 0A 1 14,-2.1 13,-2.4 -2,-0.4 2,-0.3 -0.867 17.6 168.7-109.0 145.1 18.9 -16.2 77.8 20 54 A F E -AC 4 31A 19 -16,-2.3 -16,-2.9 -2,-0.4 2,-0.4 -0.919 36.3-119.3-143.2 167.0 17.8 -16.3 81.5 21 55 A R E -AC 3 30A 59 9,-2.4 9,-2.4 -2,-0.3 2,-0.4 -0.889 33.7-161.7-103.1 139.5 14.6 -16.6 83.6 22 56 A F E -AC 2 29A 0 -20,-2.8 -20,-2.6 -2,-0.4 2,-1.0 -0.965 12.8-147.4-132.3 119.4 14.3 -13.4 85.7 23 57 A N >> - 0 0 37 5,-3.0 4,-2.0 -2,-0.4 3,-0.8 -0.733 9.5-167.4 -83.1 103.5 12.1 -13.3 88.7 24 58 A E T 34 S+ 0 0 35 -2,-1.0 282,-0.2 1,-0.2 -1,-0.1 0.340 81.9 60.5 -76.4 8.9 10.8 -9.7 88.8 25 59 A E T 34 S+ 0 0 110 3,-0.1 -1,-0.2 281,-0.1 -2,-0.0 0.663 125.5 11.3-104.7 -24.2 9.5 -10.2 92.4 26 60 A N T <4 S- 0 0 70 -3,-0.8 -2,-0.2 2,-0.1 -3,-0.0 0.341 97.9-119.1-133.5 4.1 12.8 -11.0 94.0 27 61 A G < + 0 0 1 -4,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.660 59.6 146.3 67.7 19.8 15.3 -10.1 91.3 28 62 A T - 0 0 56 -5,-0.5 -5,-3.0 2,-0.0 2,-0.4 -0.718 31.1-158.4 -91.0 136.1 16.9 -13.6 91.0 29 63 A A E -C 22 0A 33 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.940 3.8-160.1-116.5 138.3 18.1 -14.7 87.5 30 64 A T E -C 21 0A 66 -9,-2.4 -9,-2.4 -2,-0.4 -2,-0.0 -0.975 22.5-124.1-120.7 120.7 18.5 -18.3 86.4 31 65 A A E +C 20 0A 81 -2,-0.5 -11,-0.2 -11,-0.2 -13,-0.0 -0.299 34.3 167.4 -62.0 143.3 20.8 -19.0 83.4 32 66 A L E - 0 0 57 -13,-2.4 2,-0.2 1,-0.4 -12,-0.2 0.541 46.9 -35.3-119.0 -89.0 19.2 -20.9 80.5 33 67 A S E - 0 0 40 42,-0.5 -14,-2.1 -14,-0.3 -1,-0.4 -0.603 44.7-138.3-132.0-169.9 21.1 -21.1 77.2 34 68 A E E -C 18 0A 104 -16,-0.2 2,-0.4 -2,-0.2 43,-0.3 -0.978 3.5-146.4-151.6 161.6 23.3 -19.2 74.8 35 69 A A E -C 17 0A 8 -18,-2.0 -18,-2.2 -2,-0.3 2,-0.8 -0.993 20.1-131.2-136.2 127.0 23.8 -18.5 71.1 36 70 A E E +C 16 0A 153 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.3 -0.687 50.4 133.4 -82.9 111.5 27.1 -18.0 69.4 37 71 A V - 0 0 14 -22,-1.9 2,-0.3 -2,-0.8 -2,-0.1 -0.959 55.2-104.5-154.1 141.5 27.0 -14.9 67.2 38 72 A E S S- 0 0 106 -2,-0.3 3,-0.2 1,-0.2 19,-0.1 -0.527 85.3 -15.9 -80.2 136.5 29.5 -12.1 66.9 39 73 A N - 0 0 24 -2,-0.3 2,-2.8 1,-0.2 18,-2.3 0.838 62.0-176.4 43.8 54.4 28.9 -8.7 68.5 40 74 A P + 0 0 0 0, 0.0 -1,-0.2 0, 0.0 303,-0.2 -0.448 16.4 165.4 -78.1 69.4 25.1 -8.9 69.1 41 75 A S + 0 0 0 -2,-2.8 2,-0.3 49,-0.2 -34,-0.2 0.791 61.7 11.9 -56.5 -39.4 25.2 -5.3 70.4 42 76 A Y S S+ 0 0 10 -3,-0.2 13,-1.9 48,-0.2 2,-0.3 -0.976 70.4 177.5-142.1 154.7 21.5 -4.7 70.2 43 77 A L E -D 54 0B 0 -2,-0.3 11,-0.2 11,-0.2 50,-0.2 -0.984 13.4-159.2-155.0 161.8 18.5 -7.1 69.8 44 78 A V E -D 53 0B 26 9,-2.3 9,-2.6 -2,-0.3 2,-0.1 -0.968 14.5-139.0-150.6 128.4 14.7 -7.2 69.6 45 79 A P E -D 52 0B 22 0, 0.0 7,-0.3 0, 0.0 50,-0.1 -0.471 31.7-104.1 -82.9 159.4 12.3 -10.0 70.2 46 80 A S > - 0 0 13 5,-2.7 3,-1.1 -2,-0.1 50,-0.0 -0.356 37.1-103.2 -74.6 164.1 9.2 -10.5 68.0 47 81 A A T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 49,-0.0 0.839 125.1 42.7 -58.5 -34.8 5.8 -9.5 69.5 48 82 A D T 3 S- 0 0 102 3,-0.0 -1,-0.3 300,-0.0 300,-0.0 0.506 110.6-122.5 -89.4 -5.1 5.0 -13.2 70.0 49 83 A G S < S+ 0 0 4 -3,-1.1 23,-0.3 2,-0.2 -2,-0.1 0.660 80.8 117.3 73.2 16.7 8.4 -14.0 71.3 50 84 A K S S+ 0 0 109 21,-0.1 20,-3.0 1,-0.1 2,-0.3 0.615 74.6 35.0 -89.5 -13.7 9.0 -16.7 68.7 51 85 A F E - E 0 69B 48 18,-0.3 -5,-2.7 26,-0.0 2,-0.4 -0.967 60.7-158.4-140.5 155.3 11.9 -14.8 67.0 52 86 A I E -DE 45 68B 0 16,-2.5 16,-2.5 -2,-0.3 2,-0.5 -0.997 7.4-158.9-135.8 129.1 14.8 -12.6 68.0 53 87 A Y E +DE 44 67B 5 -9,-2.6 -9,-2.3 -2,-0.4 2,-0.4 -0.939 16.6 176.2-112.0 125.8 16.7 -10.3 65.7 54 88 A A E -DE 43 66B 0 12,-1.9 12,-3.7 -2,-0.5 -11,-0.2 -0.982 22.8-130.3-131.9 140.9 20.2 -9.2 66.6 55 89 A V E - E 0 65B 0 -13,-1.9 2,-0.4 -2,-0.4 10,-0.2 -0.255 8.3-141.6 -77.4 171.8 22.8 -7.1 64.9 56 90 A S E - E 0 64B 9 8,-1.8 8,-1.2 -16,-0.2 2,-0.8 -0.837 24.1-148.2-133.8 87.9 26.4 -8.1 64.4 57 91 A E + 0 0 24 -18,-2.3 2,-0.3 -2,-0.4 31,-0.1 -0.517 34.8 150.8 -68.7 104.2 28.1 -4.8 64.9 58 92 A F - 0 0 33 -2,-0.8 31,-3.5 2,-0.2 5,-0.1 -0.977 49.0-135.9-133.4 145.4 31.3 -4.7 62.7 59 93 A S S S+ 0 0 74 -2,-0.3 2,-0.2 29,-0.2 29,-0.1 0.002 87.7 50.0 -89.7 29.1 33.0 -1.7 61.2 60 94 A N S > S- 0 0 42 27,-0.1 3,-1.6 0, 0.0 29,-0.2 -0.676 113.2 -60.4-142.8-161.5 33.3 -3.6 57.9 61 95 A E T 3 S+ 0 0 135 1,-0.3 -2,-0.0 -2,-0.2 24,-0.0 0.420 118.3 74.2 -73.4 3.6 31.4 -5.7 55.3 62 96 A Q T 3 + 0 0 79 22,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.626 64.3 123.4 -88.9 -14.7 30.6 -8.2 58.1 63 97 A A < + 0 0 3 -3,-1.6 22,-1.5 -5,-0.1 2,-0.3 -0.218 42.1 151.6 -47.6 129.3 28.0 -5.9 59.6 64 98 A A E -EF 56 84B 2 -8,-1.2 -8,-1.8 20,-0.3 2,-0.4 -0.940 49.0-118.9-155.6 175.1 24.7 -7.8 59.6 65 99 A A E -EF 55 83B 0 18,-2.5 18,-2.3 -2,-0.3 2,-0.4 -0.986 31.9-151.1-121.9 131.8 21.3 -8.5 61.1 66 100 A N E -EF 54 82B 5 -12,-3.7 -12,-1.9 -2,-0.4 2,-0.5 -0.869 2.2-149.1-109.6 140.8 20.7 -12.0 62.4 67 101 A A E -EF 53 81B 0 14,-2.8 13,-3.3 -2,-0.4 14,-1.2 -0.938 17.8-175.5-112.2 123.6 17.4 -13.8 62.6 68 102 A F E -EF 52 79B 4 -16,-2.5 -16,-2.5 -2,-0.5 2,-0.4 -0.945 22.8-139.8-120.6 137.6 16.9 -16.3 65.4 69 103 A A E -EF 51 78B 14 9,-3.2 9,-2.0 -2,-0.4 2,-0.4 -0.750 29.4-155.0 -87.0 141.8 14.0 -18.7 66.1 70 104 A F E - F 0 77B 9 -20,-3.0 2,-0.8 -2,-0.4 7,-0.2 -0.969 20.1-167.7-131.1 122.5 13.4 -18.6 69.9 71 105 A N E >> - F 0 76B 55 5,-2.2 4,-2.8 -2,-0.4 5,-1.4 -0.865 8.6-179.1-103.8 96.3 11.8 -21.3 72.1 72 106 A K T 45S+ 0 0 59 -2,-0.8 -1,-0.2 -23,-0.3 -22,-0.1 0.742 78.4 62.5 -71.2 -22.0 11.2 -19.6 75.4 73 107 A E T 45S+ 0 0 129 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.866 121.3 25.5 -68.7 -33.1 9.7 -22.7 77.0 74 108 A E T 45S- 0 0 122 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.681 103.3-133.6 -97.8 -24.7 13.1 -24.3 76.5 75 109 A G T <5 + 0 0 0 -4,-2.8 -42,-0.5 1,-0.3 2,-0.2 0.697 57.2 140.8 77.2 21.6 15.0 -21.0 76.5 76 110 A T E < -F 71 0B 53 -5,-1.4 -5,-2.2 -44,-0.1 2,-0.3 -0.657 44.1-139.0-102.3 154.3 16.9 -22.1 73.4 77 111 A F E -F 70 0B 31 -43,-0.3 2,-0.4 -2,-0.2 -7,-0.2 -0.839 10.9-171.1-109.8 146.4 18.1 -20.2 70.2 78 112 A R E -F 69 0B 162 -9,-2.0 -9,-3.2 -2,-0.3 2,-0.2 -0.903 22.3-134.8-140.0 106.1 18.1 -21.5 66.6 79 113 A L E +F 68 0B 93 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.411 23.2 178.5 -62.8 125.4 19.9 -19.4 64.0 80 114 A L E - 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