==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING PROTEIN 29-MAY-12 4FE9 . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN SUSF; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR N.M.KOROPATKIN,E.A.CAMERON,E.C.MARTENS . 446 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 33.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 0.2 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 . 41 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 11 3 4 4 1 1 3 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 . 3 0 1 2 3 0 0 1 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 40 A G 0 0 128 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 25.0 -19.5 109.9 -17.3 2 41 A Q - 0 0 143 1,-0.1 2,-0.3 105,-0.0 105,-0.1 -0.349 360.0-145.0 -92.6 140.0 -21.7 111.6 -14.7 3 42 A L E -a 107 0A 39 103,-0.7 105,-2.3 -2,-0.1 2,-0.3 -0.703 10.6-155.2-102.5 147.1 -25.2 113.1 -15.3 4 43 A T E -a 108 0A 54 -2,-0.3 30,-2.2 103,-0.2 31,-0.5 -0.827 5.9-166.7-117.7 155.9 -26.8 116.1 -13.6 5 44 A A E -B 33 0B 4 103,-2.2 2,-0.5 -2,-0.3 105,-0.5 -0.990 11.3-145.9-132.1 153.2 -30.3 117.3 -12.9 6 45 A T E -B 32 0B 63 26,-3.1 25,-2.7 -2,-0.3 26,-1.4 -0.976 15.8-170.2-122.1 120.2 -31.6 120.6 -11.7 7 46 A F E -B 30 0B 8 -2,-0.5 2,-0.3 23,-0.2 23,-0.2 -0.897 1.0-166.6-100.9 150.7 -34.6 120.8 -9.5 8 47 A T E -B 29 0B 57 21,-2.4 21,-2.0 -2,-0.4 104,-0.1 -0.940 34.5 -91.4-130.6 155.9 -36.6 123.9 -8.5 9 48 A A E -B 28 0B 42 -2,-0.3 19,-0.3 19,-0.2 4,-0.1 -0.283 48.6-117.0 -64.2 138.0 -39.2 124.5 -5.7 10 49 A G - 0 0 10 17,-1.9 3,-0.1 2,-0.2 17,-0.1 -0.229 31.3 -93.4 -68.6 176.7 -42.7 123.9 -7.0 11 50 A K S S+ 0 0 153 1,-0.2 2,-1.3 17,-0.1 3,-0.3 0.782 119.5 67.6 -68.8 -17.9 -45.5 126.6 -7.1 12 51 A D + 0 0 42 14,-1.9 3,-0.3 1,-0.2 -1,-0.2 -0.493 63.0 137.0 -97.2 69.1 -46.7 125.6 -3.7 13 52 A A + 0 0 32 -2,-1.3 102,-2.6 1,-0.2 2,-0.4 0.708 65.6 39.6 -93.0 -16.0 -43.6 126.8 -1.9 14 53 A S E S-e 115 0C 96 -3,-0.3 2,-0.3 100,-0.2 -1,-0.2 -0.740 76.3-173.2-139.7 81.1 -45.2 128.6 1.1 15 54 A I E -e 116 0C 14 100,-2.5 102,-2.2 -2,-0.4 2,-0.5 -0.594 13.6-169.3 -93.1 130.5 -48.1 126.7 2.4 16 55 A V E >> -e 117 0C 63 -2,-0.3 3,-0.9 100,-0.2 4,-0.7 -0.965 10.5-158.1-114.9 108.2 -50.4 128.0 5.2 17 56 A M G >4 S+ 0 0 33 100,-2.6 3,-1.0 -2,-0.5 102,-0.2 0.867 89.1 61.1 -62.5 -36.1 -52.6 125.1 6.3 18 57 A D G 34 S+ 0 0 86 99,-0.4 -1,-0.3 1,-0.3 101,-0.1 0.910 117.3 31.8 -50.7 -42.1 -55.3 127.4 7.7 19 58 A A G <4 S+ 0 0 80 -3,-0.9 -1,-0.3 2,-0.0 -2,-0.2 0.363 89.4 126.6 -96.2 -4.9 -55.8 128.9 4.3 20 59 A A << + 0 0 41 -3,-1.0 -3,-0.0 -4,-0.7 -5,-0.0 -0.424 26.8 173.2 -72.6 136.4 -55.0 125.8 2.1 21 60 A T + 0 0 141 -2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.680 51.7 75.3-109.4 -29.3 -57.6 124.8 -0.4 22 61 A A - 0 0 51 1,-0.1 3,-0.1 2,-0.0 46,-0.0 -0.540 63.3-145.7 -90.6 152.2 -56.2 122.0 -2.5 23 62 A D S S+ 0 0 135 -2,-0.2 45,-2.7 1,-0.1 46,-0.5 0.682 88.5 39.8 -93.2 -11.0 -55.8 118.4 -1.4 24 63 A S E S- C 0 67B 46 43,-0.3 2,-0.3 44,-0.1 43,-0.2 -0.959 72.4-162.6-128.6 149.9 -52.5 117.9 -3.3 25 64 A V E - C 0 66B 7 41,-2.6 41,-2.1 -2,-0.3 2,-0.7 -0.966 21.2-125.0-129.2 151.4 -49.7 120.3 -3.8 26 65 A E E + C 0 65B 48 -2,-0.3 -14,-1.9 39,-0.2 39,-0.2 -0.841 31.8 170.4 -94.2 118.3 -46.7 120.7 -6.2 27 66 A I E + 0 0 0 37,-2.0 -17,-1.9 -2,-0.7 2,-0.3 0.647 57.6 5.3-107.6 -15.9 -43.6 120.8 -4.2 28 67 A A E -BC 9 64B 0 36,-1.0 36,-2.7 -19,-0.3 2,-0.3 -0.977 54.8-151.9-162.1 163.5 -40.8 120.5 -6.7 29 68 A K E -BC 8 63B 63 -21,-2.0 -21,-2.4 -2,-0.3 2,-0.7 -0.995 21.7-128.4-144.8 136.1 -40.1 120.3 -10.4 30 69 A L E +B 7 0B 16 32,-2.3 -23,-0.2 -2,-0.3 3,-0.1 -0.862 32.0 177.6 -80.6 111.7 -37.3 118.8 -12.5 31 70 A S E - 0 0 61 -25,-2.7 2,-0.3 -2,-0.7 -24,-0.2 0.849 56.0 -13.9 -90.1 -40.2 -36.3 121.7 -14.6 32 71 A S E -B 6 0B 67 -26,-1.4 -26,-3.1 0, 0.0 -1,-0.3 -0.986 53.5-171.4-157.5 163.9 -33.4 120.3 -16.6 33 72 A T E -B 5 0B 47 -2,-0.3 -28,-0.2 -28,-0.3 76,-0.0 -0.984 32.3-129.5-152.2 155.1 -31.0 117.4 -16.9 34 73 A T S S+ 0 0 85 -30,-2.2 -29,-0.1 -2,-0.3 3,-0.1 0.439 75.0 116.1 -87.6 8.4 -28.0 116.5 -18.9 35 74 A A S S- 0 0 9 -31,-0.5 -2,-0.2 1,-0.1 3,-0.1 -0.354 77.1 -93.1 -72.0 150.3 -29.6 113.2 -19.7 36 75 A E > - 0 0 167 1,-0.1 3,-1.7 2,-0.1 -1,-0.1 -0.253 43.2 -94.5 -64.8 149.3 -30.4 112.5 -23.3 37 76 A E T 3 S+ 0 0 189 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.328 112.9 40.8 -55.6 140.4 -33.7 113.4 -24.9 38 77 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.020 84.3 128.5 101.2 -23.7 -36.0 110.3 -24.8 39 78 A S < - 0 0 38 -3,-1.7 -1,-0.3 1,-0.1 2,-0.2 -0.355 52.6-137.1 -61.6 140.3 -34.9 109.2 -21.3 40 79 A K E -F 98 0C 156 58,-2.2 58,-3.3 -2,-0.1 2,-0.5 -0.558 17.0-126.9 -86.7 159.5 -37.6 108.4 -18.7 41 80 A I E -F 97 0C 21 56,-0.2 2,-0.4 -2,-0.2 56,-0.2 -0.933 22.6-172.0-110.8 126.8 -37.1 109.7 -15.2 42 81 A A E -F 96 0C 37 54,-2.9 54,-2.8 -2,-0.5 2,-0.7 -0.969 18.8-136.4-113.3 143.6 -37.4 107.3 -12.2 43 82 A V E -F 95 0C 35 -2,-0.4 52,-0.2 52,-0.2 3,-0.1 -0.833 19.4-179.6-104.6 110.3 -37.4 108.5 -8.6 44 83 A N E S- 0 0 86 50,-2.6 2,-0.3 -2,-0.7 51,-0.2 0.757 72.0 -9.5 -77.5 -34.9 -35.2 106.4 -6.3 45 84 A S E -F 94 0C 46 49,-1.7 49,-2.8 2,-0.0 2,-0.4 -0.956 48.7-164.8-162.5 143.5 -36.0 108.4 -3.3 46 85 A L E +F 93 0C 5 -2,-0.3 8,-0.5 47,-0.2 2,-0.3 -0.949 26.0 178.8-125.6 112.2 -37.8 111.6 -2.2 47 86 A T E -F 92 0C 23 45,-2.6 45,-2.1 -2,-0.4 2,-0.4 -0.831 22.1-146.3-117.2 153.1 -36.9 112.6 1.3 48 87 A L E >> S-FG 91 52C 2 4,-2.5 4,-1.6 -2,-0.3 3,-0.8 -0.974 85.0 -9.6-117.9 131.6 -37.9 115.6 3.6 49 88 A N T 34 S- 0 0 34 41,-2.1 2,-1.4 -2,-0.4 -1,-0.2 0.864 121.5 -69.6 43.2 46.1 -35.4 116.9 6.0 50 89 A E T 34 S+ 0 0 127 40,-0.4 -1,-0.3 1,-0.2 41,-0.0 -0.023 128.9 40.1 81.8 -41.2 -33.1 114.0 5.3 51 90 A N T <4 S+ 0 0 123 -2,-1.4 2,-0.5 -3,-0.8 -1,-0.2 0.299 87.4 90.6-133.3 23.0 -34.9 111.1 6.9 52 91 A H B < -G 48 0C 49 -4,-1.6 -4,-2.5 2,-0.0 2,-0.2 -0.960 50.1-163.3-120.0 133.6 -38.6 111.3 6.2 53 92 A T - 0 0 107 -2,-0.5 -6,-0.1 -6,-0.2 -2,-0.0 -0.641 5.4-173.8-107.2 169.4 -40.4 109.8 3.3 54 93 A I - 0 0 9 -8,-0.5 2,-0.1 -2,-0.2 -8,-0.1 -0.966 35.6 -97.1-158.6 138.1 -43.9 110.6 1.9 55 94 A P + 0 0 80 0, 0.0 12,-0.4 0, 0.0 2,-0.3 -0.415 54.7 171.7 -52.7 142.9 -46.1 109.1 -0.8 56 95 A F - 0 0 80 10,-0.1 2,-0.3 -2,-0.1 10,-0.2 -0.948 25.8-152.8-153.3 159.2 -45.6 111.2 -4.0 57 96 A S E -D 65 0B 67 8,-2.4 8,-3.0 -2,-0.3 2,-0.4 -0.912 11.1-144.8-131.8 163.9 -46.5 111.2 -7.7 58 97 A M E -D 64 0B 63 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.997 16.5-137.6-133.7 126.2 -44.7 112.9 -10.6 59 98 A T > - 0 0 45 4,-2.6 3,-2.4 -2,-0.4 6,-0.0 -0.346 32.9 -97.1 -80.9 179.6 -46.6 114.4 -13.6 60 99 A E T 3 S+ 0 0 195 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.824 127.7 53.5 -65.5 -27.4 -45.8 114.1 -17.3 61 100 A D T 3 S- 0 0 114 2,-0.1 -1,-0.3 1,-0.0 -31,-0.2 0.207 123.4-106.6 -91.6 14.2 -44.0 117.4 -17.0 62 101 A H < + 0 0 57 -3,-2.4 -32,-2.3 1,-0.2 2,-0.4 0.794 67.7 149.6 62.5 39.6 -41.9 116.2 -14.1 63 102 A V E -C 29 0B 14 -34,-0.2 -4,-2.6 -32,-0.0 2,-0.5 -0.802 42.4-133.8 -96.6 132.9 -43.7 118.1 -11.3 64 103 A F E -CD 28 58B 0 -36,-2.7 -37,-2.0 -2,-0.4 -36,-1.0 -0.827 24.9-170.7 -93.6 123.6 -43.6 116.3 -8.0 65 104 A K E -CD 26 57B 64 -8,-3.0 -8,-2.4 -2,-0.5 2,-0.3 -0.927 8.6-179.9-116.4 144.7 -47.0 116.2 -6.1 66 105 A V E -C 25 0B 4 -41,-2.1 -41,-2.6 -2,-0.4 2,-0.4 -0.940 39.5 -97.4-133.7 159.4 -47.9 115.1 -2.6 67 106 A A E > -C 24 0B 38 -12,-0.4 4,-2.0 -2,-0.3 3,-0.5 -0.624 32.0-137.2 -73.1 126.5 -51.2 115.0 -0.7 68 107 A L H > S+ 0 0 11 -45,-2.7 4,-2.8 -2,-0.4 5,-0.2 0.905 101.4 56.4 -53.7 -44.8 -51.4 118.1 1.5 69 108 A A H > S+ 0 0 66 -46,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.882 110.3 44.8 -58.6 -34.8 -52.6 116.2 4.5 70 109 A Q H > S+ 0 0 83 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.844 110.8 52.6 -82.7 -29.1 -49.6 113.9 4.5 71 110 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.937 111.5 47.6 -64.8 -44.9 -47.1 116.7 3.9 72 111 A D H X S+ 0 0 24 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.968 113.5 48.7 -59.2 -47.3 -48.7 118.5 6.9 73 112 A S H X S+ 0 0 72 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.880 112.2 47.4 -57.2 -46.9 -48.4 115.2 8.9 74 113 A V H X S+ 0 0 23 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.883 109.7 53.6 -68.7 -33.9 -44.9 114.6 7.9 75 114 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.925 109.1 48.7 -64.4 -39.6 -43.9 118.2 8.8 76 115 A Q H <>S+ 0 0 12 -4,-2.1 5,-1.9 2,-0.2 4,-0.5 0.947 112.4 48.4 -75.3 -36.0 -45.4 117.9 12.3 77 116 A E H ><5S+ 0 0 75 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.955 108.0 54.3 -61.3 -50.8 -43.5 114.6 12.9 78 117 A A H 3<5S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 120.1 32.5 -49.6 -44.1 -40.2 116.0 11.7 79 118 A Y T 3<5S- 0 0 81 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.329 101.1-131.2 -96.7 2.8 -40.5 118.9 14.2 80 119 A K T < 5S+ 0 0 110 -3,-1.6 2,-0.3 -4,-0.5 -3,-0.2 0.872 74.5 102.8 44.9 46.0 -42.3 116.9 16.9 81 120 A S < - 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