==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 09-JUN-10 2KYW . COMPND 2 MOLECULE: ADHESION EXOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PEDIOCOCCUS PENTOSACEUS; . AUTHOR Y.HE,A.ELETSKY,J.L.MILLS,H.WANG,C.CICCOSANTI,H.JANJUA,T.B.AC . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 31.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 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 . 16 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.7 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+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 . 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 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 M 0 0 197 0, 0.0 2,-0.4 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 123.3 -4.7 22.8 2.3 2 2 A D - 0 0 130 26,-0.1 2,-0.3 27,-0.0 26,-0.2 -0.784 360.0-157.1 -90.0 134.9 -3.8 19.5 0.4 3 3 A E E -A 27 0A 9 24,-2.1 24,-2.2 -2,-0.4 63,-0.2 -0.915 12.5-144.0-114.1 144.8 -3.5 16.2 2.5 4 4 A D E -A 26 0A 53 61,-0.4 66,-1.1 -2,-0.3 61,-1.1 -0.461 15.0-159.3-107.7 169.2 -1.4 13.2 1.4 5 5 A A E -A 25 0A 0 20,-2.1 20,-2.1 64,-0.2 2,-0.5 -0.905 13.9-156.6-148.1 118.8 -1.4 9.3 1.4 6 6 A T E -A 24 0A 22 -2,-0.3 66,-1.9 18,-0.2 2,-0.8 -0.890 1.6-158.3-105.7 123.7 1.9 7.4 0.9 7 7 A I E -Ab 23 72A 2 16,-2.1 16,-2.2 -2,-0.5 2,-0.7 -0.835 16.6-176.4-103.5 97.8 1.7 3.8 -0.4 8 8 A T E -Ab 22 73A 29 64,-2.0 66,-1.6 -2,-0.8 2,-0.4 -0.870 16.8-150.7-106.2 111.3 5.0 2.1 0.6 9 9 A Y E - b 0 74A 10 12,-0.7 10,-2.0 -2,-0.7 2,-0.3 -0.700 24.9-176.6 -73.5 124.7 5.7 -1.5 -0.5 10 10 A V E -Ab 18 75A 20 64,-2.5 66,-1.9 -2,-0.4 2,-1.0 -0.935 31.6-116.7-126.9 150.9 8.0 -3.2 2.2 11 11 A D E > > -Ab 17 76A 6 6,-2.1 5,-2.4 -2,-0.3 3,-1.0 -0.763 23.0-173.0 -92.9 96.8 9.7 -6.6 2.4 12 12 A D T 3 5S+ 0 0 54 64,-1.1 3,-0.4 -2,-1.0 65,-0.2 0.648 87.5 56.1 -61.6 -19.3 8.1 -8.3 5.5 13 13 A D T 3 5S+ 0 0 78 63,-1.3 -1,-0.2 1,-0.2 64,-0.1 0.745 107.9 47.9 -80.9 -26.7 10.7 -11.2 5.0 14 14 A K T X 5S- 0 0 130 -3,-1.0 3,-0.7 3,-0.2 -1,-0.2 -0.238 129.6 -86.5-114.4 41.4 13.7 -8.7 5.1 15 15 A G T 3 5S- 0 0 82 -3,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.757 87.6 -52.5 61.8 28.9 12.7 -6.7 8.3 16 16 A G T 3 - 0 0 76 -2,-0.2 3,-1.3 -26,-0.2 36,-0.6 -0.886 38.9-115.7-124.4 155.7 -8.7 16.2 0.1 29 29 A T T 3 S+ 0 0 76 -2,-0.3 -1,-0.1 1,-0.2 -27,-0.0 0.788 118.3 63.2 -53.7 -30.6 -10.3 14.3 3.1 30 30 A D T 3 S+ 0 0 145 33,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.785 96.4 73.2 -62.9 -30.5 -13.6 14.6 1.0 31 31 A D < - 0 0 91 -3,-1.3 33,-0.9 33,-0.1 2,-0.4 -0.718 62.6-169.0 -92.4 135.6 -11.9 12.4 -1.7 32 32 A S E -D 63 0B 88 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.985 9.6-154.2-119.8 138.0 -11.3 8.6 -1.5 33 33 A T E -D 62 0B 50 29,-2.1 29,-2.0 -2,-0.4 2,-0.5 -0.765 9.8-140.2-109.4 152.9 -9.1 6.7 -4.0 34 34 A T E -D 61 0B 119 -2,-0.3 2,-0.5 27,-0.2 27,-0.2 -0.968 23.5-172.3-113.2 115.9 -9.1 3.0 -5.0 35 35 A Y E -D 60 0B 51 25,-2.5 25,-2.1 -2,-0.5 2,-0.4 -0.936 16.3-142.4-115.7 125.5 -5.6 1.5 -5.5 36 36 A T E -D 59 0B 88 -2,-0.5 2,-0.3 23,-0.2 23,-0.3 -0.739 24.9-123.4 -84.2 128.8 -4.8 -2.0 -6.9 37 37 A V - 0 0 14 21,-2.4 2,-0.6 -2,-0.4 8,-0.0 -0.561 20.4-143.3 -74.5 131.5 -1.8 -3.8 -5.2 38 38 A T - 0 0 85 -2,-0.3 -1,-0.0 0, 0.0 20,-0.0 -0.878 6.7-154.4-105.7 114.2 1.0 -4.8 -7.6 39 39 A I - 0 0 94 -2,-0.6 3,-0.1 6,-0.0 2,-0.1 -0.807 15.8-156.4 -93.5 107.9 2.8 -8.1 -6.8 40 40 A P > - 0 0 22 0, 0.0 3,-1.9 0, 0.0 2,-0.3 -0.328 37.4 -63.4 -83.7 169.8 6.5 -8.2 -8.2 41 41 A D T 3 S+ 0 0 87 1,-0.3 46,-0.5 44,-0.2 3,-0.1 -0.309 120.3 1.9 -61.3 109.1 8.7 -11.2 -9.2 42 42 A G T 3 S+ 0 0 21 -2,-0.3 37,-1.8 1,-0.3 2,-0.4 0.527 104.0 113.3 94.4 10.5 9.5 -13.4 -6.1 43 43 A Y E < -C 78 0A 32 -3,-1.9 2,-0.4 35,-0.2 -1,-0.3 -0.929 50.6-151.5-119.8 140.4 7.4 -11.4 -3.5 44 44 A E E -C 77 0A 98 33,-2.2 33,-1.9 -2,-0.4 2,-0.4 -0.929 22.9-113.6-118.3 129.6 4.1 -12.6 -1.7 45 45 A Y E +C 76 0A 81 -2,-0.4 31,-0.2 31,-0.2 3,-0.1 -0.454 40.1 165.1 -63.7 115.5 1.2 -10.4 -0.4 46 46 A V E - 0 0 71 29,-2.6 2,-0.3 -2,-0.4 -1,-0.2 0.867 54.9 -57.9 -94.1 -55.1 1.1 -10.7 3.5 47 47 A G E -C 75 0A 22 28,-0.9 28,-2.4 2,-0.0 -1,-0.3 -0.981 38.3-120.4-179.3 172.9 -1.2 -7.7 4.4 48 48 A T E -C 74 0A 24 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.994 17.9-168.7-136.0 139.9 -2.0 -4.0 4.3 49 49 A D E +C 73 0A 72 24,-1.2 24,-1.9 -2,-0.3 2,-0.4 -0.938 61.3 20.9-130.9 153.8 -2.5 -1.3 7.1 50 50 A G S S+ 0 0 51 -2,-0.3 3,-0.3 22,-0.2 22,-0.2 -0.889 101.5 66.7 93.5-139.7 -3.9 2.2 7.0 51 51 A G S S- 0 0 3 -2,-0.4 2,-0.5 1,-0.2 11,-0.3 0.181 104.4 -92.3 3.2 116.3 -6.0 2.7 3.8 52 52 A V E -E 61 0B 101 9,-1.4 9,-2.6 8,-0.1 -1,-0.2 -0.343 46.4-144.2 -67.2 106.1 -9.2 0.5 4.1 53 53 A V E -E 60 0B 60 -2,-0.5 7,-0.2 -3,-0.3 -1,-0.1 -0.444 13.0-119.0 -77.6 139.8 -8.3 -2.9 2.4 54 54 A S > - 0 0 45 5,-2.4 3,-0.8 -2,-0.1 -1,-0.1 -0.243 26.2-106.1 -71.7 164.9 -10.9 -4.9 0.3 55 55 A S T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.756 123.5 50.3 -64.3 -27.8 -12.1 -8.4 1.2 56 56 A D T 3 S- 0 0 79 3,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.627 99.0-142.5 -82.4 -18.6 -10.1 -9.8 -1.8 57 57 A G S < S+ 0 0 9 -3,-0.8 -20,-0.1 2,-0.3 -2,-0.1 0.136 80.4 96.2 79.4 -20.4 -6.9 -7.9 -0.6 58 58 A K S S+ 0 0 128 -22,-0.1 -21,-2.4 -5,-0.1 2,-0.3 0.590 85.7 45.0 -79.1 -16.6 -5.8 -7.1 -4.2 59 59 A T E -D 36 0B 48 -23,-0.3 -5,-2.4 2,-0.0 2,-0.4 -0.950 68.2-162.0-126.7 152.7 -7.5 -3.6 -4.0 60 60 A V E -DE 35 53B 1 -25,-2.1 -25,-2.5 -2,-0.3 2,-0.9 -0.977 14.9-143.0-138.4 118.4 -7.4 -0.9 -1.2 61 61 A T E -DE 34 52B 65 -9,-2.6 -9,-1.4 -2,-0.4 -27,-0.2 -0.742 30.5-170.3 -83.1 103.4 -9.8 2.1 -0.7 62 62 A I E -D 33 0B 0 -29,-2.0 -29,-2.1 -2,-0.9 2,-0.3 -0.594 9.8-163.8 -93.1 150.4 -7.5 4.9 0.6 63 63 A T E -D 32 0B 54 -31,-0.2 7,-0.2 -2,-0.2 -31,-0.2 -0.977 22.8-117.2-141.0 133.2 -8.6 8.3 2.1 64 64 A F - 0 0 7 -33,-0.9 2,-0.4 -36,-0.6 -59,-0.2 -0.363 31.4-170.4 -72.6 136.9 -6.4 11.5 2.5 65 65 A A - 0 0 15 -61,-1.1 4,-0.5 -2,-0.1 -61,-0.4 -0.993 28.9-164.8-133.9 131.1 -5.8 12.8 6.1 66 66 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -63,-0.2 -64,-0.0 0.664 101.5 47.2 -78.5 -21.5 -4.3 16.0 7.5 67 67 A D S S+ 0 0 152 -64,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.951 132.3 12.4 -79.0 -62.1 -4.1 14.2 10.9 68 68 A D S S- 0 0 128 -64,-0.0 3,-0.2 2,-0.0 -2,-0.1 0.905 83.6-139.2 -79.8 -45.0 -2.6 10.8 9.9 69 69 A S - 0 0 31 -4,-0.5 2,-1.3 1,-0.1 -64,-0.2 0.913 45.4 -99.9 56.4 96.9 -1.4 11.4 6.3 70 70 A D - 0 0 25 -66,-1.1 2,-1.1 -7,-0.2 -64,-0.1 -0.187 44.7-167.8 -67.8 82.4 -2.7 8.0 5.3 71 71 A N - 0 0 90 -2,-1.3 2,-0.6 -66,-0.2 -64,-0.2 -0.608 5.9-163.1 -69.3 97.1 0.5 5.9 5.3 72 72 A V E -b 7 0A 0 -66,-1.9 -64,-2.0 -2,-1.1 2,-0.6 -0.801 3.5-162.1 -87.7 116.4 -0.6 2.7 3.5 73 73 A V E -bC 8 49A 38 -24,-1.9 -24,-1.2 -2,-0.6 2,-0.7 -0.891 5.6-166.3-110.0 110.6 1.9 -0.1 4.3 74 74 A I E -bC 9 48A 0 -66,-1.6 -64,-2.5 -2,-0.6 2,-0.3 -0.867 12.7-151.5-101.0 108.6 1.9 -3.2 2.0 75 75 A H E -bC 10 47A 48 -28,-2.4 -29,-2.6 -2,-0.7 -28,-0.9 -0.636 15.5-176.2 -83.5 132.9 3.9 -6.1 3.5 76 76 A L E -bC 11 45A 0 -66,-1.9 -63,-1.3 -2,-0.3 -64,-1.1 -0.995 7.5-161.4-132.2 137.3 5.6 -8.7 1.1 77 77 A K E - C 0 44A 88 -33,-1.9 -33,-2.2 -2,-0.3 2,-0.4 -0.621 32.0 -94.9-107.7 171.0 7.6 -12.0 1.8 78 78 A H E + C 0 43A 67 -35,-0.2 -35,-0.2 -2,-0.2 -36,-0.1 -0.761 41.6 179.6 -89.1 128.7 10.1 -14.0 -0.4 79 79 A G - 0 0 41 -37,-1.8 2,-0.6 -2,-0.4 -1,-0.1 0.508 51.2 -40.7 -93.6-123.9 8.5 -17.0 -2.4 80 80 A L - 0 0 170 -37,-0.1 2,-0.4 2,-0.0 -38,-0.1 -0.938 55.4-142.4-116.7 107.2 10.4 -19.4 -4.7 81 81 A E - 0 0 115 -2,-0.6 5,-0.0 1,-0.1 -39,-0.0 -0.560 12.0-168.8 -70.8 122.8 13.0 -17.6 -7.1 82 82 A H - 0 0 168 -2,-0.4 -1,-0.1 0, 0.0 -40,-0.0 0.001 58.2 -90.8-100.1 25.4 13.1 -19.2 -10.6 83 83 A H S S+ 0 0 182 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.991 84.4 103.6 62.8 84.8 16.3 -17.2 -11.5 84 84 A H S S- 0 0 93 -43,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.956 72.1 -33.2-167.9-176.7 15.4 -13.7 -13.1 85 85 A H - 0 0 142 -2,-0.3 2,-0.2 1,-0.1 -44,-0.2 -0.294 54.2-143.9 -54.8 118.8 15.1 -9.9 -12.6 86 86 A H 0 0 100 1,-0.1 -44,-0.1 -2,-0.1 -1,-0.1 -0.597 360.0 360.0 -81.1 148.8 14.0 -8.9 -8.9 87 87 A H 0 0 123 -46,-0.5 -1,-0.1 -2,-0.2 -45,-0.1 0.326 360.0 360.0-159.5 360.0 11.7 -5.9 -8.5