==== 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 29-FEB-08 3CEW . COMPND 2 MOLECULE: UNCHARACTERIZED CUPIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR F.FOROUHAR,Y.CHEN,J.SEETHARAMAN,L.MAO,R.XIAO,C.CICCOSANTI,E. . 472 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21122.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 71.2 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 . 225 47.7 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 . 8 1.7 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 . 4 0.8 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 . 47 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 4 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 . 12 4 3 5 8 4 4 0 4 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 0 0 8 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 1 A X 0 0 213 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.7 60.3 39.9 89.6 2 2 A K - 0 0 125 1,-0.1 199,-0.1 2,-0.1 181,-0.0 -0.174 360.0-127.3 -60.3 149.9 57.9 38.5 87.0 3 3 A N S S+ 0 0 47 179,-0.1 195,-3.1 197,-0.1 2,-0.3 0.172 89.7 41.9 -82.9 18.1 56.6 40.6 84.1 4 4 A Y E -A 197 0A 37 193,-0.2 2,-0.3 178,-0.1 193,-0.2 -0.987 60.2-153.7-158.1 164.3 53.1 39.7 85.0 5 5 A Q E -A 196 0A 56 191,-1.7 191,-2.2 -2,-0.3 2,-0.3 -0.985 17.2-166.5-141.3 143.3 50.6 39.2 87.9 6 6 A K E +A 195 0A 78 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.942 11.3 166.3-134.9 154.7 47.5 36.9 87.9 7 7 A X E -A 194 0A 43 187,-1.6 187,-2.5 -2,-0.3 2,-0.4 -0.975 26.7-125.6-159.5 160.2 44.4 36.4 90.0 8 8 A S E -A 193 0A 73 -2,-0.3 2,-0.4 185,-0.2 185,-0.2 -0.916 16.2-157.6-116.6 141.4 41.1 34.6 89.7 9 9 A V - 0 0 17 183,-1.9 -2,-0.0 -2,-0.4 6,-0.0 -0.971 22.2-118.4-120.9 129.5 37.7 36.2 90.3 10 10 A A > - 0 0 70 -2,-0.4 3,-1.8 1,-0.1 182,-0.1 -0.222 34.0-105.6 -59.8 153.5 34.5 34.2 91.2 11 11 A Q T 3 S+ 0 0 183 1,-0.3 -1,-0.1 180,-0.1 181,-0.1 0.825 118.7 26.5 -50.3 -40.6 31.6 34.3 88.7 12 12 A D T 3 S+ 0 0 107 2,-0.0 2,-0.3 83,-0.0 -1,-0.3 -0.130 93.0 128.3-118.5 37.7 29.6 36.7 90.9 13 13 A A < - 0 0 29 -3,-1.8 2,-0.6 18,-0.1 -4,-0.0 -0.731 48.9-143.9 -97.5 144.7 32.4 38.5 92.8 14 14 A R + 0 0 145 -2,-0.3 2,-0.3 17,-0.1 17,-0.2 -0.934 40.2 140.6-108.1 114.0 32.7 42.3 93.1 15 15 A V E -F 30 0B 46 15,-1.3 15,-2.8 -2,-0.6 2,-0.4 -0.961 45.4-128.4-150.0 165.3 36.3 43.4 93.1 16 16 A E E -F 29 0B 116 -2,-0.3 4,-0.4 13,-0.2 13,-0.2 -0.940 13.1-157.9-116.1 140.0 38.7 46.1 91.8 17 17 A L > + 0 0 0 11,-2.8 4,-2.5 -2,-0.4 6,-0.4 0.666 68.1 88.6 -94.4 -18.5 41.9 45.1 90.1 18 18 A H H >>S+ 0 0 30 10,-0.3 5,-2.0 1,-0.2 4,-0.8 0.916 100.1 28.6 -47.9 -61.1 44.2 48.1 90.5 19 19 A D H 45S+ 0 0 126 3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.896 120.4 53.5 -70.9 -39.6 45.8 47.2 93.8 20 20 A S H 45S+ 0 0 72 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.802 123.6 27.8 -65.6 -31.2 45.5 43.4 93.5 21 21 A L H <5S- 0 0 1 -4,-2.5 -1,-0.2 174,-0.1 -2,-0.2 0.407 105.3-124.1-108.6 -0.6 47.2 43.3 90.1 22 22 A A T <5 - 0 0 42 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.2 0.930 39.5-170.4 57.2 49.7 49.3 46.5 90.7 23 23 A L < - 0 0 4 -5,-2.0 -1,-0.1 -6,-0.4 173,-0.0 -0.362 19.6-178.2 -69.4 150.7 47.9 48.2 87.6 24 24 A T S S+ 0 0 60 196,-0.1 201,-1.9 -2,-0.0 -1,-0.1 0.444 78.3 44.1-126.6 -10.1 49.6 51.4 86.5 25 25 A G S S- 0 0 0 199,-0.2 77,-0.3 1,-0.2 2,-0.3 0.452 119.1 -2.6-116.1 -2.1 47.6 52.4 83.5 26 26 A A - 0 0 0 75,-0.1 2,-0.4 199,-0.1 -1,-0.2 -0.986 54.7-121.0-170.9 174.5 44.1 51.7 84.6 27 27 A E E - G 0 100B 3 73,-1.6 73,-3.0 -2,-0.3 2,-0.5 -0.987 25.6-163.4-129.5 136.0 41.6 50.6 87.2 28 28 A V E - G 0 99B 0 -2,-0.4 -11,-2.8 71,-0.2 2,-0.5 -0.986 4.3-171.0-126.1 121.7 39.2 47.8 86.4 29 29 A S E -FG 16 98B 32 69,-2.0 69,-2.0 -2,-0.5 2,-0.5 -0.946 8.0-159.1-116.8 133.1 36.2 47.1 88.5 30 30 A I E +FG 15 97B 23 -15,-2.8 -15,-1.3 -2,-0.5 2,-0.3 -0.939 30.1 151.1-107.9 123.9 34.0 44.0 88.1 31 31 A N E - G 0 96B 47 65,-2.4 65,-2.6 -2,-0.5 2,-0.3 -0.899 24.7-167.6-146.1 172.7 30.5 44.4 89.4 32 32 A H E - G 0 95B 29 -2,-0.3 63,-0.2 63,-0.2 6,-0.1 -0.940 11.1-146.0-165.5 144.0 26.9 43.3 89.1 33 33 A L E - G 0 94B 19 61,-2.1 61,-2.1 -2,-0.3 3,-0.1 -0.919 21.9-121.8-116.8 139.9 23.5 44.4 90.4 34 34 A P > - 0 0 76 0, 0.0 3,-2.0 0, 0.0 54,-0.3 -0.337 55.2 -65.7 -73.1 163.1 20.6 42.1 91.2 35 35 A A T 3 S+ 0 0 51 1,-0.3 55,-0.2 56,-0.1 3,-0.1 -0.143 123.3 14.6 -49.4 137.9 17.3 42.7 89.4 36 36 A G T 3 S+ 0 0 63 53,-2.5 -1,-0.3 56,-0.4 2,-0.2 0.490 106.2 108.4 74.9 2.7 15.6 46.0 90.3 37 37 A A < + 0 0 33 -3,-2.0 51,-3.1 52,-0.3 2,-0.3 -0.654 38.5 164.9-108.8 167.4 18.8 47.4 91.8 38 38 A G B -K 87 0C 29 49,-0.3 49,-0.3 -2,-0.2 -6,-0.0 -0.982 49.2 -62.7-169.4 166.1 21.3 50.1 90.7 39 39 A V - 0 0 30 47,-2.3 -6,-0.0 -2,-0.3 0, 0.0 -0.433 47.0-138.7 -59.4 124.3 24.1 52.4 91.7 40 40 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.350 76.4 43.2 -69.7 6.0 22.5 54.7 94.3 41 41 A F S S- 0 0 89 43,-0.0 2,-0.4 2,-0.0 196,-0.1 -0.958 72.5-123.5-149.0 166.6 24.3 57.8 93.0 42 42 A V E +L 236 0C 40 194,-0.5 194,-2.7 -2,-0.3 2,-0.3 -0.876 35.1 171.5-110.1 142.9 25.3 59.7 89.9 43 43 A H E -LM 235 84C 28 41,-1.9 41,-2.6 -2,-0.4 192,-0.2 -0.993 20.6-168.1-152.8 161.1 28.8 60.7 89.1 44 44 A S E -L 234 0C 14 190,-2.3 190,-3.2 -2,-0.3 2,-0.3 -0.673 26.7-114.0-130.5-175.4 31.3 62.1 86.5 45 45 A H E -L 233 0C 6 35,-3.0 188,-0.2 188,-0.3 5,-0.0 -0.932 1.6-143.5-130.2 153.1 35.1 62.2 86.4 46 46 A K S S- 0 0 152 186,-2.1 -1,-0.1 -2,-0.3 187,-0.1 0.927 94.5 -18.0 -79.3 -47.5 37.7 64.9 86.5 47 47 A Q S S+ 0 0 61 185,-0.2 56,-2.4 33,-0.1 2,-0.5 0.417 106.1 104.3-141.0 -0.2 40.2 63.4 84.0 48 48 A N E -H 102 0B 0 54,-0.3 54,-0.3 184,-0.2 2,-0.2 -0.764 54.9-145.8 -96.3 130.2 39.4 59.7 83.5 49 49 A E E -H 101 0B 2 52,-3.1 52,-2.3 -2,-0.5 2,-0.4 -0.560 21.5-145.7 -79.3 150.1 37.7 58.3 80.5 50 50 A E E -HI 100 78B 7 28,-2.1 28,-2.7 -2,-0.2 2,-0.5 -0.982 11.9-163.6-128.0 135.3 35.5 55.3 81.4 51 51 A I E -HI 99 77B 0 48,-2.6 48,-3.1 -2,-0.4 2,-0.4 -0.969 9.0-162.0-118.1 122.7 34.8 52.2 79.3 52 52 A Y E -HI 98 76B 12 24,-2.5 24,-2.6 -2,-0.5 2,-0.4 -0.873 7.4-175.4-107.8 137.1 31.8 50.0 80.2 53 53 A G E -HI 97 75B 0 44,-2.2 44,-2.9 -2,-0.4 2,-0.8 -0.982 18.1-144.2-131.5 119.2 31.4 46.5 79.0 54 54 A I E +H 96 0B 3 20,-2.8 19,-2.6 -2,-0.4 42,-0.3 -0.753 19.1 178.6 -86.4 114.1 28.2 44.5 79.8 55 55 A L E - 0 0 67 40,-1.8 2,-0.3 -2,-0.8 41,-0.2 0.787 61.5 -5.7 -84.7 -30.3 29.2 40.9 80.4 56 56 A S E S+H 95 0B 62 39,-1.9 39,-2.3 16,-0.1 -1,-0.2 -0.985 101.6 16.8-159.5 166.8 25.8 39.5 81.3 57 57 A G E S-H 94 0B 31 -2,-0.3 15,-1.6 37,-0.2 2,-0.3 -0.270 74.5 -94.4 68.0-153.0 22.2 40.2 81.9 58 58 A K E +N 71 0C 88 35,-1.7 31,-1.8 13,-0.2 2,-0.3 -0.975 49.5 125.5-158.9 164.0 20.5 43.5 80.9 59 59 A G E -NO 70 88C 3 11,-2.5 11,-3.3 -2,-0.3 2,-0.3 -0.910 44.5 -78.5 176.0-147.0 19.6 46.9 82.3 60 60 A F E -NO 69 87C 53 27,-2.6 27,-2.7 -2,-0.3 2,-0.4 -0.964 17.4-157.1-146.3 159.7 20.0 50.6 81.7 61 61 A I E -NO 68 86C 1 7,-2.0 7,-3.5 -2,-0.3 2,-0.6 -0.988 13.9-146.7-141.0 129.4 22.5 53.4 82.2 62 62 A T E -NO 67 85C 43 23,-2.7 23,-0.9 -2,-0.4 2,-0.5 -0.881 16.6-176.5-100.8 121.5 21.5 57.0 82.4 63 63 A I E > S-NO 66 84C 2 3,-3.4 3,-1.9 -2,-0.6 21,-0.2 -0.969 70.7 -23.6-121.2 115.9 24.0 59.4 80.9 64 64 A D T 3 S- 0 0 66 19,-2.7 -1,-0.2 -2,-0.5 20,-0.1 0.915 129.1 -45.2 51.3 51.0 23.3 63.2 81.3 65 65 A G T 3 S+ 0 0 77 18,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.264 119.5 107.9 81.4 -14.2 19.5 62.6 81.7 66 66 A E E < -N 63 0C 90 -3,-1.9 -3,-3.4 2,-0.0 2,-0.5 -0.858 58.9-149.0-101.6 123.8 19.3 60.2 78.8 67 67 A K E -N 62 0C 117 -2,-0.6 2,-0.4 -5,-0.3 -5,-0.3 -0.788 10.2-162.0 -96.9 129.2 18.8 56.5 79.7 68 68 A I E -N 61 0C 18 -7,-3.5 -7,-2.0 -2,-0.5 2,-0.1 -0.910 18.9-123.2-110.4 132.3 20.3 53.9 77.4 69 69 A E E -N 60 0C 143 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.454 30.9-160.3 -71.8 144.1 19.1 50.3 77.3 70 70 A L E +N 59 0C 6 -11,-3.3 -11,-2.5 -2,-0.1 2,-0.3 -0.957 17.0 165.5-130.1 147.6 21.9 47.7 78.0 71 71 A Q E > -N 58 0C 119 -2,-0.3 3,-2.1 -13,-0.3 -17,-0.2 -0.967 51.7 -63.7-151.9 161.5 22.4 44.0 77.3 72 72 A A T 3 S+ 0 0 51 -15,-1.6 -17,-0.2 -2,-0.3 3,-0.1 -0.166 121.8 32.6 -47.3 134.9 25.2 41.5 77.3 73 73 A G T 3 S+ 0 0 18 -19,-2.6 55,-1.8 1,-0.3 2,-0.3 0.288 86.2 129.4 98.4 -11.4 27.7 42.5 74.5 74 74 A D E < - J 0 127B 3 -3,-2.1 -20,-2.8 53,-0.2 2,-0.4 -0.609 35.2-171.6 -81.8 136.8 27.2 46.2 74.8 75 75 A W E -IJ 53 126B 9 51,-2.4 51,-1.6 -2,-0.3 2,-0.3 -0.989 3.5-175.9-129.4 137.7 30.2 48.5 75.1 76 76 A L E -IJ 52 125B 0 -24,-2.6 -24,-2.5 -2,-0.4 2,-0.4 -0.970 19.8-150.6-136.6 150.9 30.4 52.2 75.9 77 77 A R E -IJ 51 124B 31 47,-2.1 47,-1.6 -2,-0.3 2,-0.5 -0.942 18.0-165.8-112.4 136.5 32.8 55.0 76.2 78 78 A I E -IJ 50 123B 0 -28,-2.7 -28,-2.1 -2,-0.4 45,-0.2 -0.987 14.6-134.7-128.5 124.2 31.9 57.8 78.5 79 79 A A > - 0 0 17 43,-3.0 3,-1.6 -2,-0.5 -34,-0.2 -0.361 31.8-103.8 -71.4 156.0 33.7 61.1 78.5 80 80 A P T 3 S+ 0 0 25 0, 0.0 -35,-3.0 0, 0.0 -32,-0.1 0.855 118.8 53.7 -45.4 -48.2 34.8 62.6 81.9 81 81 A D T 3 S+ 0 0 116 -37,-0.2 2,-0.1 -35,-0.1 41,-0.1 0.681 82.3 112.1 -66.4 -19.5 32.0 65.2 81.9 82 82 A G < - 0 0 0 -3,-1.6 2,-0.7 40,-0.3 -37,-0.2 -0.355 64.0-141.1 -60.5 130.0 29.3 62.6 81.4 83 83 A K - 0 0 87 -39,-0.1 -19,-2.7 -2,-0.1 2,-0.3 -0.852 32.9-176.2 -92.7 116.0 27.0 62.2 84.4 84 84 A R E +MO 43 63C 1 -41,-2.6 -41,-1.9 -2,-0.7 2,-0.2 -0.820 26.2 168.7-121.9 157.9 26.3 58.4 84.7 85 85 A Q E - 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