==== 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 CELL ADHESION 25-FEB-09 3GEA . COMPND 2 MOLECULE: K88 FIMBRIAL PROTEIN AD; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.VAN MOLLE,K.MOONENS,A.GARCIA-PINO,L.BUTS,J.BOUCKAERT,H.DE . 534 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 31.8 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 38 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 2 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 PARALLEL BRIDGES PER LADDER . 9 2 0 3 6 3 1 1 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 W 0 0 78 0, 0.0 2,-0.4 0, 0.0 16,-0.2 0.000 360.0 360.0 360.0 137.3 67.2 15.9 21.8 2 2 A M B -A 16 0A 106 14,-2.9 14,-2.7 260,-0.0 2,-0.3 -0.931 360.0-149.7-119.5 140.1 70.0 18.0 20.3 3 3 A T - 0 0 46 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.748 26.9-128.3 -96.9 156.2 71.4 21.4 21.4 4 4 A G - 0 0 14 10,-0.5 258,-0.2 -2,-0.3 257,-0.2 0.118 56.2 -15.6 -90.0-151.8 72.8 23.5 18.6 5 5 A H - 0 0 94 256,-2.2 255,-2.9 253,-0.3 -1,-0.2 -0.122 68.7-123.5 -57.9 137.7 76.1 25.4 18.1 6 6 A H - 0 0 64 253,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.285 19.2-160.2 -77.7 153.9 78.3 25.9 21.3 7 7 A H - 0 0 29 3,-0.6 5,-0.1 252,-0.1 251,-0.0 -0.962 24.8-126.0-130.1 150.5 79.5 29.2 22.5 8 8 A H S S+ 0 0 146 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.702 105.0 11.2 -67.6 -24.6 82.5 29.7 24.9 9 9 A H S S+ 0 0 157 1,-0.1 2,-0.3 -3,-0.0 -1,-0.1 0.707 111.6 74.7-117.0 -44.6 80.5 31.7 27.4 10 10 A H S S- 0 0 66 1,-0.0 -3,-0.6 -4,-0.0 2,-0.4 -0.569 70.9-139.1 -79.4 136.9 76.7 31.6 26.6 11 11 A R - 0 0 156 -2,-0.3 2,-0.1 -5,-0.1 -3,-0.1 -0.737 29.2-106.6 -95.4 136.3 75.0 28.3 27.4 12 12 A Q - 0 0 35 -2,-0.4 -1,-0.1 1,-0.1 248,-0.1 -0.444 28.2-162.0 -65.7 139.8 72.5 27.1 24.8 13 13 A K + 0 0 45 54,-0.1 42,-2.9 -2,-0.1 43,-0.5 0.641 63.6 51.4 -98.6 -17.6 68.9 27.7 26.1 14 14 A W E - B 0 54A 1 40,-0.3 -10,-0.5 41,-0.1 2,-0.3 -0.847 56.6-159.0-122.6 157.9 67.0 25.4 23.7 15 15 A E E - B 0 53A 26 38,-2.6 38,-2.2 -2,-0.3 2,-0.3 -0.957 14.6-164.1-133.1 153.0 67.0 21.8 22.4 16 16 A W E -AB 2 52A 0 -14,-2.7 -14,-2.9 -2,-0.3 2,-0.4 -0.929 9.4-165.9-135.9 153.5 65.4 20.5 19.2 17 17 A K E - B 0 51A 79 34,-2.3 34,-3.0 -2,-0.3 2,-0.3 -0.984 10.3-150.5-142.6 134.5 64.4 17.1 17.7 18 18 A V E - B 0 50A 31 -2,-0.4 32,-0.2 32,-0.2 31,-0.1 -0.782 30.8-106.0-102.8 146.4 63.5 16.4 14.1 19 19 A G - 0 0 4 30,-2.5 248,-0.3 -2,-0.3 3,-0.1 -0.415 28.4-175.7 -70.6 150.4 61.1 13.5 13.3 20 20 A T + 0 0 108 246,-0.1 3,-0.4 -2,-0.1 -1,-0.1 0.219 63.9 85.2-125.4 13.5 62.4 10.3 11.8 21 21 A G S S+ 0 0 30 27,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.368 74.8 69.9 -97.7 14.5 59.2 8.4 11.2 22 22 A L S S+ 0 0 0 245,-0.3 247,-2.8 1,-0.2 3,-0.3 0.374 79.0 72.9-117.7 7.0 58.2 9.7 7.8 23 23 A N S S+ 0 0 31 -3,-0.4 -1,-0.2 245,-0.3 245,-0.1 0.324 86.7 57.7-105.5 4.5 60.8 8.3 5.4 24 24 A G + 0 0 8 -3,-0.2 290,-2.5 243,-0.1 246,-0.3 -0.034 58.5 155.0-128.9 36.7 59.9 4.7 5.1 25 25 A F E -cd 270 314A 3 244,-2.3 246,-2.4 -3,-0.3 2,-0.6 -0.428 31.2-150.1 -68.9 139.0 56.3 4.5 3.8 26 26 A G E +cd 271 315A 2 288,-2.8 290,-2.3 244,-0.2 2,-0.3 -0.943 25.3 165.5-119.6 113.1 55.8 1.1 2.0 27 27 A S E -c 272 0A 0 244,-3.3 246,-2.5 -2,-0.6 2,-0.3 -0.732 29.5-138.0-124.9 166.6 53.3 1.1 -0.8 28 28 A V E > -c 273 0A 27 244,-0.3 3,-2.5 -2,-0.3 4,-0.4 -0.862 34.0-111.9-113.3 159.2 52.1 -1.0 -3.8 29 29 A L G > S+ 0 0 44 244,-2.6 3,-2.2 -2,-0.3 245,-0.1 0.879 115.5 62.0 -60.9 -33.8 51.2 0.4 -7.1 30 30 A N G 3 S+ 0 0 159 243,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.611 89.7 70.8 -65.4 -7.0 47.5 -0.5 -6.5 31 31 A D G < S+ 0 0 48 -3,-2.5 9,-0.4 2,-0.1 -1,-0.3 0.616 84.8 88.7 -75.8 -22.9 47.5 1.9 -3.5 32 32 A L < - 0 0 18 -3,-2.2 7,-0.2 -4,-0.4 2,-0.2 -0.512 61.4-162.0 -77.3 153.6 47.7 4.9 -6.0 33 33 A T B >> +E 38 0A 70 5,-2.8 5,-2.2 -2,-0.2 4,-1.8 -0.613 58.9 53.6-117.6-176.5 44.7 6.6 -7.5 34 34 A N T 45S- 0 0 107 1,-0.2 3,-0.2 -2,-0.2 -1,-0.2 0.943 133.7 -42.7 55.9 48.0 44.1 8.9 -10.5 35 35 A G T 45S- 0 0 66 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.912 113.2 -51.6 72.9 33.5 45.7 6.7 -13.1 36 36 A G T 45S+ 0 0 17 199,-0.2 200,-2.7 2,-0.1 -1,-0.2 0.749 120.1 102.2 79.1 19.7 48.7 5.7 -11.0 37 37 A T T <5 + 0 0 38 -4,-1.8 195,-2.8 -3,-0.2 2,-0.5 0.601 64.0 60.2-110.3 -12.6 49.6 9.4 -10.1 38 38 A K E < -EF 33 231A 56 -5,-2.2 -5,-2.8 193,-0.2 2,-0.5 -0.969 49.3-174.9-129.5 126.8 48.3 10.1 -6.5 39 39 A L E - F 0 230A 2 191,-2.8 191,-3.0 -2,-0.5 2,-0.6 -0.976 7.7-170.4-116.3 117.1 49.3 8.4 -3.3 40 40 A T E - F 0 229A 66 -2,-0.5 2,-0.5 -9,-0.4 189,-0.2 -0.957 5.1-166.2-112.2 119.3 47.4 9.5 -0.2 41 41 A I E - F 0 228A 2 187,-3.2 187,-2.2 -2,-0.6 2,-0.7 -0.907 13.3-151.2-107.3 125.5 48.7 8.3 3.0 42 42 A T E - F 0 227A 65 -2,-0.5 2,-0.4 185,-0.2 185,-0.2 -0.846 25.6-144.3 -94.0 121.1 46.7 8.5 6.2 43 43 A V - 0 0 1 183,-2.8 182,-2.5 -2,-0.7 183,-0.4 -0.717 15.5-162.3 -93.8 134.8 49.4 8.8 8.9 44 44 A T + 0 0 38 -2,-0.4 178,-0.1 180,-0.2 180,-0.1 -0.738 57.3 40.7-114.1 155.5 48.9 7.1 12.3 45 45 A G S S- 0 0 55 -2,-0.3 -1,-0.1 1,-0.1 178,-0.1 0.436 104.2 -87.2 103.8 -4.8 50.5 7.5 15.7 46 46 A N - 0 0 41 -3,-0.2 177,-0.2 176,-0.2 -1,-0.1 0.999 56.5-157.5 57.5 75.1 51.0 11.3 16.1 47 47 A K E - G 0 222A 35 175,-1.6 175,-3.0 1,-0.1 -1,-0.2 -0.662 6.8-130.1 -91.0 130.2 54.3 11.6 14.3 48 48 A P E + G 0 221A 38 0, 0.0 -27,-0.4 0, 0.0 173,-0.3 -0.410 23.7 178.6 -75.8 148.8 56.6 14.6 15.1 49 49 A I E S- 0 0 0 171,-3.2 -30,-2.5 1,-0.3 2,-0.4 0.712 77.9 -2.8-105.1 -51.7 58.1 16.7 12.4 50 50 A L E -BG 18 220A 0 170,-2.1 170,-2.5 -32,-0.2 2,-0.4 -0.987 65.5-176.2-145.3 128.5 60.0 19.3 14.6 51 51 A L E -BG 17 219A 3 -34,-3.0 -34,-2.3 -2,-0.4 2,-0.3 -0.953 4.2-179.8-122.2 147.7 59.9 19.6 18.4 52 52 A G E +BG 16 218A 0 166,-2.5 166,-2.6 -2,-0.4 124,-0.4 -0.983 3.7 169.4-139.2 151.3 61.6 22.3 20.5 53 53 A R E -BG 15 217A 60 -38,-2.2 -38,-2.6 -2,-0.3 164,-0.2 -0.984 40.8-101.4-153.3 153.7 61.9 22.9 24.2 54 54 A T E -B 14 0A 0 162,-2.3 -40,-0.3 -2,-0.3 3,-0.1 -0.544 30.2-137.0 -65.0 141.7 63.7 25.1 26.6 55 55 A K S S- 0 0 59 -42,-2.9 2,-0.3 1,-0.3 -1,-0.1 0.817 83.5 -14.7 -71.2 -30.4 66.5 23.0 28.1 56 56 A E S S- 0 0 100 -43,-0.5 -1,-0.3 158,-0.1 129,-0.1 -0.921 90.3 -80.5-157.3 167.5 65.6 24.5 31.5 57 57 A A - 0 0 5 127,-0.4 2,-0.3 -2,-0.3 158,-0.2 -0.358 49.3-172.8 -73.8 157.8 63.6 27.4 32.6 58 58 A F E -H 214 0A 25 156,-2.0 156,-2.8 -2,-0.1 2,-0.2 -0.982 20.9-107.9-149.1 163.1 65.2 30.9 32.5 59 59 A A E -H 213 0A 61 -2,-0.3 154,-0.2 154,-0.2 153,-0.1 -0.484 44.1 -94.2 -88.6 160.4 64.6 34.5 33.4 60 60 A T S S+ 0 0 14 152,-1.4 151,-0.3 -2,-0.2 147,-0.1 -0.772 89.4 55.3-121.7 169.2 63.8 37.4 31.2 61 61 A P S S- 0 0 77 0, 0.0 146,-0.2 0, 0.0 2,-0.2 0.520 84.3-135.3 -64.1 148.5 64.5 39.7 29.6 62 62 A V - 0 0 22 144,-1.4 -2,-0.1 -2,-0.1 4,-0.0 -0.543 28.0 -88.4 -76.3 154.0 66.8 37.4 27.7 63 63 A T > - 0 0 78 -2,-0.2 3,-0.9 1,-0.1 5,-0.4 -0.238 48.2-118.5 -55.3 129.1 70.3 38.5 26.8 64 64 A S T 3 S+ 0 0 111 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 -0.483 91.5 27.8 -70.1 148.8 70.4 40.4 23.5 65 65 A G T 3 S+ 0 0 13 188,-0.4 191,-2.6 1,-0.2 192,-0.5 0.619 106.9 77.8 87.0 4.9 72.4 39.0 20.7 66 66 A V S < S- 0 0 5 -3,-0.9 3,-0.3 189,-0.2 -1,-0.2 -0.153 100.4 -57.3-125.4-138.3 72.2 35.3 21.7 67 67 A D S S+ 0 0 0 1,-0.2 -54,-0.1 -3,-0.1 -3,-0.1 -0.139 84.9 116.1-105.5 37.8 69.6 32.4 21.4 68 68 A G S S+ 0 0 5 -5,-0.4 -1,-0.2 185,-0.2 -4,-0.1 0.865 75.4 40.6 -70.3 -38.2 66.7 33.9 23.3 69 69 A I S S- 0 0 17 -3,-0.3 184,-2.4 184,-0.3 -1,-0.2 -0.855 80.2-147.4-121.2 100.1 64.2 34.1 20.4 70 70 A P E -I 252 0A 0 0, 0.0 77,-1.6 0, 0.0 78,-0.8 -0.372 7.3-162.1 -72.8 144.4 64.1 31.1 18.0 71 71 A H E -Ij 251 148A 32 180,-3.2 180,-2.0 76,-0.2 2,-0.5 -0.970 7.8-155.1-119.5 133.2 63.3 31.4 14.3 72 72 A I E -I 250 0A 6 76,-2.7 2,-0.4 -2,-0.4 178,-0.2 -0.962 13.9-179.4-113.6 129.4 62.3 28.3 12.5 73 73 A A E -I 249 0A 47 176,-2.2 176,-2.4 -2,-0.5 2,-0.4 -0.981 9.4-160.1-130.8 132.6 62.9 28.1 8.7 74 74 A F E +I 248 0A 10 8,-0.5 8,-2.4 -2,-0.4 2,-0.3 -0.913 12.0 176.8-110.0 145.2 62.0 25.2 6.4 75 75 A T E -IK 247 81A 44 172,-2.1 172,-3.0 -2,-0.4 6,-0.2 -0.936 24.3-119.9-137.1 162.8 63.5 24.6 2.9 76 76 A D > - 0 0 15 4,-2.4 3,-1.9 -2,-0.3 170,-0.1 -0.181 45.8 -83.0 -94.9-174.1 63.2 21.9 0.3 77 77 A Y T 3 S+ 0 0 54 168,-0.3 169,-0.1 24,-0.3 -1,-0.0 0.757 131.3 52.5 -70.3 -15.7 65.9 19.7 -1.2 78 78 A E T 3 S- 0 0 112 2,-0.1 -1,-0.3 23,-0.0 3,-0.1 0.366 120.5-108.4 -90.2 -0.1 66.9 22.5 -3.6 79 79 A G S < S+ 0 0 51 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.464 73.0 139.9 87.4 9.8 67.2 25.0 -0.8 80 80 A A - 0 0 49 1,-0.1 -4,-2.4 -5,-0.1 -1,-0.3 -0.458 61.7 -93.2 -82.9 152.1 64.0 27.0 -1.7 81 81 A S B -K 75 0A 105 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.3 -0.335 31.2-153.2 -61.3 143.5 61.8 28.2 1.1 82 82 A V - 0 0 9 -8,-2.4 2,-0.5 165,-0.1 -8,-0.5 -0.988 14.3-144.1-117.9 122.5 58.9 26.0 2.2 83 83 A E - 0 0 127 -2,-0.5 2,-0.6 16,-0.2 16,-0.3 -0.737 1.3-146.1 -94.7 130.6 56.1 28.0 3.6 84 84 A L - 0 0 17 -2,-0.5 2,-0.4 65,-0.3 14,-0.2 -0.828 32.5-176.1 -88.1 121.4 54.2 26.4 6.5 85 85 A R B -L 97 0A 71 12,-2.5 12,-2.1 -2,-0.6 3,-0.0 -0.929 29.0-122.5-124.3 145.9 50.6 27.8 5.9 86 86 A N - 0 0 1 -2,-0.4 10,-0.2 10,-0.2 2,-0.2 -0.610 39.1-112.8 -77.0 143.2 47.3 27.6 7.8 87 87 A P > - 0 0 33 0, 0.0 3,-1.0 0, 0.0 8,-0.1 -0.460 42.3 -95.7 -71.0 145.4 44.5 26.0 5.6 88 88 A D T 3 S+ 0 0 120 1,-0.2 3,-0.1 -2,-0.2 67,-0.1 -0.240 100.1 17.2 -60.4 146.9 41.9 28.5 4.8 89 89 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.740 92.3 112.6 74.0 17.8 38.7 28.7 6.9 90 90 A E < + 0 0 78 -3,-1.0 2,-0.3 5,-0.1 -1,-0.2 -0.994 39.5 179.0-122.0 133.6 39.8 26.8 10.0 91 91 A T + 0 0 67 -2,-0.4 67,-0.3 1,-0.1 66,-0.1 -0.952 58.7 14.7-129.8 154.7 40.3 28.6 13.3 92 92 A E S S+ 0 0 111 65,-2.9 69,-0.4 67,-0.4 67,-0.2 0.751 99.5 93.9 66.0 21.1 41.3 27.5 16.9 93 93 A K S S- 0 0 97 65,-1.5 66,-0.2 64,-0.2 67,-0.2 0.513 83.0-132.3-120.9 -8.0 42.7 24.1 15.6 94 94 A G + 0 0 0 64,-3.0 25,-2.6 1,-0.2 2,-0.3 0.910 48.2 162.0 54.8 41.6 46.5 24.8 15.0 95 95 A L E + M 0 118A 41 63,-0.5 2,-0.3 23,-0.2 23,-0.3 -0.752 9.4 165.2 -91.0 151.7 46.3 23.2 11.6 96 96 A A E - M 0 117A 2 21,-2.4 21,-2.9 -2,-0.3 2,-0.3 -0.925 14.3-166.5-150.5 164.3 49.0 23.8 8.9 97 97 A Y E -LM 85 116A 61 -12,-2.1 -12,-2.5 -2,-0.3 2,-0.3 -0.973 2.7-168.8-143.6 167.3 50.1 22.3 5.7 98 98 A F E - 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