==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 28-FEB-10 3LYY . COMPND 2 MOLECULE: ADHESION EXOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PEDIOCOCCUS PENTOSACEUS; . AUTHOR J.SEETHARAMAN,S.LEW,D.WANG,H.JANJUA,K.CUNNINGHAM,L.OWENS, . 202 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 54.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 28.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 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-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 . 23 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 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 . 5 4 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 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 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 T 0 0 118 0, 0.0 2,-0.4 0, 0.0 121,-0.3 0.000 360.0 360.0 360.0 158.7 43.8 7.7 2.2 2 2 A H + 0 0 1 85,-0.3 87,-2.6 117,-0.3 117,-0.1 -0.824 360.0 148.2-130.3 91.5 42.4 8.4 5.7 3 3 A A + 0 0 13 -2,-0.4 26,-1.9 85,-0.2 2,-0.6 0.365 48.3 85.4-106.4 1.4 39.3 6.3 6.3 4 4 A T E -A 28 0A 30 24,-0.2 2,-0.4 85,-0.2 24,-0.2 -0.930 65.5-151.3-108.1 120.3 39.6 5.7 10.0 5 5 A S E -A 27 0A 0 22,-3.0 22,-2.4 -2,-0.6 2,-0.5 -0.730 6.2-155.3 -89.4 136.8 38.2 8.4 12.3 6 6 A T E -A 26 0A 26 -2,-0.4 86,-2.4 20,-0.2 2,-0.6 -0.964 1.8-154.8-114.1 125.2 39.8 8.7 15.7 7 7 A E E -Ab 25 92A 6 18,-3.2 18,-1.3 -2,-0.5 2,-0.5 -0.887 12.5-172.6 -99.6 123.4 37.7 10.3 18.5 8 8 A T E -Ab 24 93A 26 84,-2.8 86,-2.1 -2,-0.6 2,-0.7 -0.976 7.5-165.2-120.1 119.8 39.8 11.9 21.2 9 9 A I E -Ab 23 94A 0 14,-2.6 14,-2.6 -2,-0.5 2,-0.5 -0.913 12.0-151.0-106.4 111.0 38.1 13.1 24.4 10 10 A H E - b 0 95A 46 84,-3.4 86,-3.1 -2,-0.7 2,-0.7 -0.717 5.6-161.1 -84.4 124.6 40.4 15.4 26.3 11 11 A Y E +Ab 20 96A 4 -2,-0.5 8,-2.7 9,-0.5 9,-1.0 -0.918 28.0 155.3-107.1 109.1 39.8 15.4 30.1 12 12 A V E -Ab 18 97A 19 84,-2.3 86,-3.6 -2,-0.7 6,-0.2 -0.816 37.9-119.4-132.1 170.4 41.3 18.5 31.7 13 13 A N E > - b 0 98A 26 4,-1.7 3,-2.3 -2,-0.3 86,-0.2 -0.364 52.0 -82.2 -97.0-176.9 41.0 20.8 34.6 14 14 A E T 3 S+ 0 0 122 84,-0.6 85,-0.1 1,-0.3 83,-0.0 0.750 131.9 55.2 -59.3 -23.0 40.2 24.5 34.6 15 15 A D T 3 S- 0 0 134 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.472 118.8-111.1 -88.8 -3.4 43.9 25.1 33.9 16 16 A G < + 0 0 49 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.561 69.7 143.4 85.9 7.9 43.8 22.9 30.8 17 17 A D - 0 0 93 1,-0.1 -4,-1.7 2,-0.0 -1,-0.3 -0.660 58.8-106.8 -84.5 136.1 46.0 20.2 32.4 18 18 A Q E +A 12 0A 63 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.402 37.8 175.2 -61.9 129.8 45.1 16.6 31.5 19 19 A V E + 0 0 31 -8,-2.7 2,-0.3 1,-0.3 -7,-0.2 0.527 67.3 22.2-112.4 -13.6 43.5 14.8 34.5 20 20 A F E S-A 11 0A 51 -9,-1.0 -9,-0.5 3,-0.0 -1,-0.3 -0.964 94.4 -85.2-147.3 159.3 42.6 11.5 32.8 21 21 A E E - 0 0 77 -2,-0.3 -2,-0.1 1,-0.1 170,-0.0 -0.366 64.9 -82.3 -64.8 147.9 43.9 9.6 29.8 22 22 A D E - 0 0 48 -12,-0.1 -12,-0.2 1,-0.1 -1,-0.1 -0.203 50.0-147.4 -51.9 136.9 42.3 10.6 26.5 23 23 A G E +A 9 0A 19 -14,-2.6 -14,-2.6 -3,-0.1 2,-0.3 -0.408 50.2 65.5 -97.9 179.7 38.9 8.9 26.1 24 24 A G E -A 8 0A 41 -16,-0.2 2,-0.3 -2,-0.1 -16,-0.2 -0.839 54.5-144.0 115.0-149.7 37.3 7.9 22.8 25 25 A G E -A 7 0A 33 -18,-1.3 -18,-3.2 -2,-0.3 2,-0.3 -0.958 25.6 -65.0 172.3-155.5 38.2 5.3 20.2 26 26 A K E -A 6 0A 150 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.928 23.9-165.9-130.2 153.0 38.2 4.6 16.4 27 27 A L E -A 5 0A 11 -22,-2.4 -22,-3.0 -2,-0.3 2,-0.3 -0.985 16.2-147.1-137.6 124.2 35.6 4.1 13.7 28 28 A D E +A 4 0A 69 -2,-0.4 23,-2.7 -24,-0.2 24,-0.6 -0.713 16.7 179.6 -96.8 143.3 36.5 2.6 10.3 29 29 A F E -D 50 0B 12 -26,-1.9 2,-0.3 -2,-0.3 -26,-0.1 -0.879 6.0-166.4-133.3 163.4 34.8 3.5 7.0 30 30 A T E -D 49 0B 77 19,-2.1 19,-3.1 -2,-0.3 2,-0.3 -0.960 2.7-172.2-147.0 162.1 35.3 2.5 3.4 31 31 A R - 0 0 40 -2,-0.3 2,-0.2 17,-0.2 17,-0.1 -0.976 22.4-121.7-152.6 152.9 34.2 3.7 -0.0 32 32 A T - 0 0 94 -2,-0.3 14,-3.5 15,-0.3 2,-0.4 -0.647 15.6-153.4 -97.4 158.7 34.4 2.2 -3.5 33 33 A V E -E 45 0C 71 -2,-0.2 2,-0.5 12,-0.2 12,-0.2 -0.995 7.1-155.7-132.2 122.9 36.2 4.0 -6.4 34 34 A T E +E 44 0C 65 10,-2.9 9,-3.2 -2,-0.4 10,-1.7 -0.897 20.1 173.2-104.4 125.8 35.0 3.2 -9.9 35 35 A I E -E 42 0C 82 -2,-0.5 2,-0.5 7,-0.3 7,-0.2 -0.796 38.9 -97.3-126.4 168.3 37.5 3.7 -12.8 36 36 A D > - 0 0 57 5,-2.4 4,-2.0 -2,-0.3 5,-0.1 -0.759 27.0-144.4 -85.6 128.2 37.8 3.1 -16.5 37 37 A D T 4 S+ 0 0 150 -2,-0.5 -1,-0.1 2,-0.2 0, 0.0 0.713 97.3 41.3 -66.1 -20.1 39.7 -0.2 -17.1 38 38 A V T 4 S+ 0 0 123 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.924 126.3 26.0 -91.7 -57.9 41.3 1.4 -20.2 39 39 A T T 4 S- 0 0 80 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.631 90.6-135.2 -82.6 -16.1 42.2 5.0 -19.3 40 40 A N < + 0 0 114 -4,-2.0 2,-0.2 1,-0.3 -3,-0.1 0.613 54.2 149.0 68.9 11.3 42.5 4.4 -15.5 41 41 A E - 0 0 134 -5,-0.1 -5,-2.4 1,-0.1 2,-0.5 -0.532 54.9-111.7 -76.9 142.3 40.5 7.6 -15.1 42 42 A V E -E 35 0C 61 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.635 30.8-175.7 -76.7 125.1 38.2 7.7 -12.0 43 43 A V E - 0 0 92 -9,-3.2 2,-0.3 -2,-0.5 -8,-0.2 0.820 62.8 -23.7 -88.7 -37.2 34.6 7.7 -13.1 44 44 A E E -E 34 0C 121 -10,-1.7 -10,-2.9 40,-0.0 2,-0.4 -0.967 53.4-121.8-171.9 157.5 33.0 8.1 -9.7 45 45 A Y E -E 33 0C 69 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.894 28.8-130.3-109.2 135.2 33.5 7.8 -5.9 46 46 A G - 0 0 14 -14,-3.5 38,-0.1 -2,-0.4 2,-0.1 -0.338 33.8 -91.4 -78.4 165.2 31.1 5.7 -3.8 47 47 A E - 0 0 133 1,-0.1 -15,-0.3 -16,-0.1 2,-0.2 -0.458 47.8 -97.7 -75.0 148.8 29.6 7.0 -0.6 48 48 A W - 0 0 23 -17,-0.1 -17,-0.2 -2,-0.1 -1,-0.1 -0.492 44.1-168.5 -67.4 132.3 31.4 6.3 2.7 49 49 A T E -D 30 0B 71 -19,-3.1 -19,-2.1 -2,-0.2 2,-0.2 -0.968 21.5-113.1-124.2 141.1 30.0 3.3 4.4 50 50 A P E -D 29 0B 54 0, 0.0 -21,-0.2 0, 0.0 4,-0.1 -0.465 5.6-150.3 -75.4 142.5 30.7 2.2 8.0 51 51 A V S S- 0 0 92 -23,-2.7 -22,-0.1 2,-0.2 3,-0.1 0.876 97.4 -7.5 -73.7 -39.3 32.7 -1.0 8.8 52 52 A T S S- 0 0 95 -24,-0.6 2,-0.3 1,-0.4 -25,-0.1 0.428 131.4 -16.7-116.1 -98.1 30.7 -1.1 12.0 53 53 A D - 0 0 114 2,-0.1 -1,-0.4 -4,-0.1 -2,-0.2 -0.753 49.8-130.6-112.7 161.0 28.5 1.9 12.9 54 54 A D S S+ 0 0 73 -2,-0.3 2,-0.4 -4,-0.1 -1,-0.1 0.352 88.9 63.5 -90.9 6.9 28.5 5.4 11.5 55 55 A E S S- 0 0 85 23,-0.2 2,-0.3 3,-0.0 23,-0.2 -0.987 81.6-122.0-133.2 141.8 28.5 7.0 15.0 56 56 A F B -F 77 0D 11 21,-3.2 21,-1.1 -2,-0.4 3,-0.1 -0.633 43.0-113.9 -76.0 135.4 30.9 6.9 17.9 57 57 A A - 0 0 78 -2,-0.3 20,-0.1 19,-0.2 -1,-0.1 -0.310 40.3 -83.8 -69.0 157.2 29.1 5.5 20.9 58 58 A A - 0 0 45 18,-0.1 2,-0.5 1,-0.1 17,-0.2 -0.315 45.5-140.7 -60.8 142.6 28.4 7.7 23.9 59 59 A V E -G 74 0E 29 15,-2.5 15,-2.5 16,-0.1 2,-0.2 -0.928 3.4-137.6-116.5 119.5 31.4 7.9 26.3 60 60 A T E -G 73 0E 101 -2,-0.5 13,-0.3 13,-0.2 12,-0.1 -0.510 23.5-126.6 -72.3 131.9 31.0 8.0 30.1 61 61 A S - 0 0 5 11,-2.5 -1,-0.1 -2,-0.2 11,-0.0 -0.593 28.3-109.2 -80.3 138.4 33.3 10.5 31.8 62 62 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.272 32.2-112.2 -64.7 153.0 35.5 9.1 34.6 63 63 A D - 0 0 154 5,-0.1 2,-0.4 6,-0.0 5,-0.1 -0.728 30.4-173.4 -90.7 135.0 34.8 10.0 38.2 64 64 A K > - 0 0 55 3,-0.4 3,-1.8 -2,-0.4 2,-0.0 -0.986 27.4-120.2-130.0 119.3 37.3 12.2 40.1 65 65 A D T 3 S+ 0 0 165 -2,-0.4 3,-0.1 1,-0.3 36,-0.0 -0.330 97.9 14.6 -59.6 133.1 36.7 12.9 43.8 66 66 A G T 3 S+ 0 0 33 1,-0.2 35,-2.8 34,-0.1 2,-0.3 0.573 116.3 86.0 79.5 8.0 36.3 16.5 44.6 67 67 A Y E < -C 100 0A 82 -3,-1.8 -3,-0.4 33,-0.3 -1,-0.2 -0.967 58.0-155.9-139.5 155.1 35.7 17.4 41.0 68 68 A T E -C 99 0A 76 31,-2.0 31,-2.4 -2,-0.3 2,-0.1 -0.991 15.9-138.0-135.1 124.0 32.8 17.5 38.6 69 69 A P E -C 98 0A 21 0, 0.0 29,-0.2 0, 0.0 3,-0.1 -0.495 25.9-118.6 -76.6 152.1 33.1 17.2 34.8 70 70 A D S S+ 0 0 109 27,-1.6 2,-0.3 1,-0.2 28,-0.1 0.788 104.0 22.4 -62.6 -24.2 30.8 19.6 32.8 71 71 A T - 0 0 47 26,-0.1 -1,-0.2 1,-0.1 3,-0.2 -0.994 63.2-152.8-142.9 135.7 29.2 16.5 31.4 72 72 A S S S+ 0 0 89 -2,-0.3 -11,-2.5 1,-0.2 2,-0.3 0.535 90.6 26.8 -82.6 -6.2 29.1 13.0 32.8 73 73 A E E S-G 60 0E 94 -13,-0.3 2,-0.5 -4,-0.0 -1,-0.2 -0.867 70.5-139.1-159.8 123.1 28.8 11.6 29.3 74 74 A V E -G 59 0E 8 -15,-2.5 -15,-2.5 -2,-0.3 3,-0.1 -0.708 38.8-121.3 -81.3 124.5 29.8 12.8 25.9 75 75 A A - 0 0 58 -2,-0.5 -16,-0.1 -17,-0.2 -1,-0.1 -0.050 38.4 -74.1 -61.7 164.9 27.0 12.0 23.5 76 76 A A - 0 0 41 -18,-0.1 2,-0.4 -21,-0.1 -19,-0.2 -0.355 55.3-155.1 -59.0 140.8 27.3 9.8 20.4 77 77 A Q B -F 56 0D 66 -21,-1.1 -21,-3.2 -20,-0.1 -1,-0.0 -0.980 12.2-146.3-127.7 133.3 29.2 11.7 17.7 78 78 A K - 0 0 123 -2,-0.4 -23,-0.2 -23,-0.2 2,-0.1 -0.853 26.1-129.7 -96.1 124.9 29.1 11.3 13.9 79 79 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 12,-0.1 -0.458 24.2-113.4 -72.4 148.2 32.5 12.0 12.3 80 80 A D - 0 0 126 11,-0.3 10,-2.8 -2,-0.1 2,-0.3 -0.447 35.1-167.5 -76.3 156.5 32.5 14.5 9.4 81 81 A X B -H 89 0F 84 8,-0.2 2,-0.3 -2,-0.1 8,-0.2 -0.997 10.5-151.3-147.0 146.5 33.4 13.1 6.0 82 82 A T - 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