==== 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 27-OCT-10 3PET . COMPND 2 MOLECULE: PUTATIVE ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 436 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 90.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 224 51.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.2 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 . 2 0.5 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 . 88 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 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 . 16 6 4 8 2 8 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 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 27 A G 0 0 86 0, 0.0 71,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-143.4 38.3 -1.4 52.3 2 28 A I B -a 72 0A 49 69,-2.9 71,-2.6 1,-0.1 72,-0.4 -0.459 360.0-137.1 -66.0 129.1 37.8 1.5 49.8 3 29 A Q - 0 0 132 -2,-0.2 45,-0.1 69,-0.2 -1,-0.1 -0.815 23.7-120.0 -88.8 118.0 40.9 3.6 49.3 4 30 A P - 0 0 25 0, 0.0 2,-0.0 0, 0.0 71,-0.0 -0.365 31.5-122.1 -59.0 135.3 40.0 7.3 49.3 5 31 A S - 0 0 38 2,-0.2 44,-0.1 1,-0.1 -3,-0.0 -0.310 7.9-124.8 -74.3 164.1 41.0 8.9 46.0 6 32 A K S S+ 0 0 208 40,-0.1 2,-1.0 2,-0.1 -1,-0.1 0.581 86.4 98.7 -83.5 -13.0 43.3 11.9 45.6 7 33 A K - 0 0 92 2,-0.0 40,-2.2 1,-0.0 2,-0.5 -0.676 62.7-161.5 -81.6 101.0 40.6 13.9 43.7 8 34 A L E +B 46 0B 62 -2,-1.0 2,-0.3 38,-0.2 -2,-0.1 -0.744 18.3 174.7 -87.0 123.0 39.0 16.2 46.3 9 35 A I E -B 45 0B 51 36,-2.7 36,-2.2 -2,-0.5 2,-0.5 -0.851 33.3-136.9-125.7 163.5 35.6 17.4 45.1 10 36 A T E -B 44 0B 76 -2,-0.3 2,-0.5 34,-0.2 34,-0.2 -0.996 21.3-159.5-116.3 121.1 32.7 19.4 46.3 11 37 A R E -B 43 0B 119 32,-3.0 32,-2.3 -2,-0.5 2,-0.5 -0.905 5.6-153.3-102.5 127.0 29.4 17.9 45.3 12 38 A D E -B 42 0B 95 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.906 5.5-164.0-103.4 125.9 26.4 20.3 45.3 13 39 A Y E -B 41 0B 24 28,-3.0 2,-1.8 -2,-0.5 28,-0.9 -0.955 12.8-149.0-111.6 113.9 22.9 18.8 46.0 14 40 A K + 0 0 102 -2,-0.6 2,-0.2 26,-0.1 26,-0.1 -0.649 34.8 178.4 -82.9 82.0 20.1 21.1 45.0 15 41 A V - 0 0 29 -2,-1.8 24,-0.1 1,-0.1 3,-0.1 -0.511 32.5-100.8 -85.8 158.2 17.7 19.8 47.7 16 42 A K - 0 0 168 -2,-0.2 -1,-0.1 1,-0.1 42,-0.1 -0.320 57.7 -78.4 -66.7 159.5 14.2 20.9 48.5 17 43 A E + 0 0 101 22,-0.1 2,-0.3 40,-0.1 43,-0.2 -0.344 57.4 176.5 -67.4 142.8 13.8 23.2 51.5 18 44 A F - 0 0 3 68,-0.2 68,-0.4 -3,-0.1 43,-0.2 -0.934 31.1-162.7-138.8 160.7 13.9 21.5 54.9 19 45 A N S S+ 0 0 36 41,-2.4 69,-3.6 -2,-0.3 70,-1.1 0.189 77.3 59.4-129.4 9.6 13.8 22.7 58.5 20 46 A K E -cd 61 89B 75 40,-1.1 42,-3.0 67,-0.2 2,-0.4 -0.987 63.3-152.9-141.0 147.3 15.2 19.4 60.1 21 47 A I E -cd 62 90B 6 68,-1.9 70,-2.9 -2,-0.3 2,-0.4 -0.986 9.6-179.2-123.5 132.3 18.4 17.4 59.6 22 48 A D E +cd 63 91B 36 40,-3.1 42,-2.5 -2,-0.4 2,-0.4 -0.958 16.7 179.2-130.7 106.9 18.7 13.6 60.2 23 49 A A E +cd 64 92B 1 68,-2.4 70,-3.5 -2,-0.4 71,-0.3 -0.960 28.1 166.8-125.0 130.8 22.3 12.4 59.6 24 50 A G + 0 0 14 40,-2.5 42,-0.3 -2,-0.4 2,-0.1 -0.263 51.3 116.5-124.2 37.5 23.9 8.9 59.9 25 51 A T - 0 0 0 40,-0.1 70,-2.0 2,-0.1 2,-0.5 -0.444 67.3-114.2-102.3 176.1 27.1 9.8 58.1 26 52 A V B S+u 95 0C 15 68,-0.2 70,-0.2 -2,-0.1 2,-0.2 -0.971 74.6 59.7-111.8 123.0 30.8 10.0 58.9 27 53 A G S S- 0 0 10 68,-3.0 2,-0.2 -2,-0.5 52,-0.2 -0.546 85.7 -68.0 137.0 158.7 32.2 13.5 58.8 28 54 A N E -e 79 0B 53 50,-1.1 52,-2.9 -2,-0.2 2,-0.4 -0.517 42.2-147.7 -80.9 141.9 31.8 16.9 60.4 29 55 A I E -ef 80 98B 2 68,-3.0 70,-2.8 -2,-0.2 2,-0.5 -0.938 10.2-168.9-114.0 133.9 28.7 19.0 59.7 30 56 A Y E -ef 81 99B 57 50,-2.7 52,-2.7 -2,-0.4 2,-0.4 -0.970 9.1-165.0-122.7 111.4 28.6 22.8 59.5 31 57 A Y E -e 82 0B 2 68,-3.2 70,-0.5 -2,-0.5 71,-0.4 -0.832 5.0-173.6 -99.1 137.5 25.1 24.3 59.5 32 58 A T E -e 83 0B 70 50,-2.3 52,-1.3 -2,-0.4 2,-0.7 -0.995 24.1-132.7-126.0 132.2 24.5 28.0 58.4 33 59 A Q E -e 84 0B 45 70,-0.6 50,-0.1 -2,-0.4 53,-0.0 -0.788 34.4-127.3 -82.6 117.9 21.2 29.7 58.7 34 60 A S - 0 0 15 50,-2.0 3,-0.1 -2,-0.7 -1,-0.0 -0.337 22.0-167.9 -68.8 148.4 20.8 31.4 55.3 35 61 A T S S+ 0 0 146 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.279 85.6 57.5-114.5 2.1 20.1 35.2 55.1 36 62 A D S S- 0 0 107 2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.050 115.8-103.9-121.0 21.5 19.2 35.2 51.3 37 63 A G S S+ 0 0 56 1,-0.2 2,-0.2 -3,-0.1 -3,-0.0 0.554 74.2 142.8 67.6 15.3 16.3 32.6 51.4 38 64 A K - 0 0 131 46,-0.1 2,-0.4 47,-0.1 -4,-0.3 -0.586 39.9-157.2 -93.8 148.3 18.5 29.8 50.0 39 65 A T + 0 0 31 -2,-0.2 2,-0.3 45,-0.2 45,-0.2 -0.973 27.1 160.8-116.2 130.5 18.6 26.0 50.8 40 66 A D E - G 0 83B 38 43,-2.8 43,-2.5 -2,-0.4 2,-0.4 -0.997 26.9-163.5-154.8 150.9 21.9 24.2 49.9 41 67 A L E +BG 13 82B 0 -28,-0.9 -28,-3.0 -2,-0.3 2,-0.4 -0.983 13.7 177.4-135.9 122.9 23.9 21.0 50.6 42 68 A Q E -BG 12 81B 72 39,-2.8 39,-3.2 -2,-0.4 2,-0.5 -0.992 10.1-164.9-127.0 137.4 27.5 20.6 49.8 43 69 A I E -BG 11 80B 0 -32,-2.3 -32,-3.0 -2,-0.4 2,-0.4 -0.990 8.7-167.0-124.4 122.1 29.7 17.6 50.6 44 70 A Y E +BG 10 79B 88 35,-3.1 35,-2.5 -2,-0.5 -34,-0.2 -0.894 37.1 78.1-107.8 139.3 33.5 18.0 50.3 45 71 A G E S-B 9 0B 0 -36,-2.2 -36,-2.7 -2,-0.4 32,-0.1 -0.938 84.4 -21.4 156.2-173.0 36.0 15.1 50.3 46 72 A P E >> -B 8 0B 3 0, 0.0 4,-2.7 0, 0.0 3,-1.4 -0.388 64.2-123.7 -60.0 136.8 37.6 12.4 48.1 47 73 A D H 3> S+ 0 0 61 -40,-2.2 4,-1.7 1,-0.3 -39,-0.1 0.812 109.1 50.5 -57.4 -35.4 35.1 11.8 45.2 48 74 A N H 34 S+ 0 0 51 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.623 114.3 45.4 -78.9 -13.5 34.7 8.0 45.9 49 75 A I H X4 S+ 0 0 3 -3,-1.4 3,-1.6 2,-0.2 4,-0.3 0.844 110.7 51.9 -92.1 -41.2 34.0 8.7 49.6 50 76 A V H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.893 102.7 62.4 -57.5 -40.0 31.5 11.6 48.8 51 77 A A T 3< S+ 0 0 60 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.649 91.1 67.5 -61.8 -18.9 29.8 9.1 46.5 52 78 A L T < S+ 0 0 31 -3,-1.6 15,-0.6 -4,-0.1 2,-0.5 0.571 81.0 93.2 -78.9 -11.9 28.9 6.8 49.5 53 79 A I E < -H 66 0B 12 -3,-1.9 2,-0.4 -4,-0.3 13,-0.2 -0.737 63.8-153.9 -90.3 123.3 26.5 9.4 51.0 54 80 A Q E -H 65 0B 83 11,-3.0 11,-2.4 -2,-0.5 2,-0.4 -0.792 13.4-162.2 -96.0 137.5 22.8 9.1 50.1 55 81 A V E +H 64 0B 41 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.967 18.2 153.9-124.6 135.9 20.8 12.3 50.2 56 82 A A E -H 63 0B 46 7,-1.7 7,-3.5 -2,-0.4 2,-0.5 -0.968 30.8-145.4-159.0 144.4 17.0 12.8 50.3 57 83 A V E +H 62 0B 38 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.967 32.6 159.9-111.3 124.3 14.5 15.4 51.5 58 84 A K E > -H 61 0B 131 3,-2.3 3,-1.6 -2,-0.5 -2,-0.1 -0.982 63.9 -1.4-146.4 135.9 11.3 13.9 52.9 59 85 A D T 3 S- 0 0 114 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.896 130.5 -55.4 44.0 54.5 8.6 15.4 55.3 60 86 A N T 3 S+ 0 0 101 -43,-0.2 -41,-2.4 1,-0.2 -40,-1.1 0.626 115.7 119.1 57.3 23.4 10.7 18.7 55.5 61 87 A T E < -cH 20 58B 10 -3,-1.6 -3,-2.3 -43,-0.2 2,-0.6 -0.953 61.3-139.9-122.5 131.8 13.7 16.7 56.7 62 88 A L E -cH 21 57B 0 -42,-3.0 -40,-3.1 -2,-0.4 2,-0.5 -0.806 23.5-161.4 -85.4 117.5 17.1 16.4 55.1 63 89 A F E -cH 22 56B 60 -7,-3.5 -7,-1.7 -2,-0.6 2,-0.5 -0.916 9.5-174.7-104.8 124.6 18.2 12.7 55.4 64 90 A L E +cH 23 55B 4 -42,-2.5 -40,-2.5 -2,-0.5 2,-0.3 -0.981 18.2 160.7-117.3 120.5 21.9 11.9 55.0 65 91 A S E - H 0 54B 53 -11,-2.4 -11,-3.0 -2,-0.5 2,-0.3 -0.855 22.8-151.1-136.0 171.5 22.8 8.2 55.1 66 92 A I E - H 0 53B 19 -2,-0.3 2,-1.0 -42,-0.3 -13,-0.1 -0.929 36.3 -98.9-137.3 161.8 25.5 5.7 54.0 67 93 A D > - 0 0 71 -15,-0.6 3,-1.7 -2,-0.3 363,-0.1 -0.779 37.3-161.3 -79.2 103.9 25.8 2.0 53.0 68 94 A K T 3 S+ 0 0 113 -2,-1.0 362,-2.0 1,-0.3 -1,-0.2 0.662 84.3 63.9 -67.0 -17.6 26.8 0.8 56.5 69 95 A S T 3 S+ 0 0 62 360,-0.3 2,-0.6 2,-0.1 -1,-0.3 0.496 80.3 105.2 -82.1 -7.1 28.2 -2.5 54.9 70 96 A K < - 0 0 91 -3,-1.7 2,-0.4 360,-0.1 360,-0.1 -0.674 64.1-145.4 -86.2 120.2 30.9 -0.5 53.0 71 97 A K - 0 0 98 -2,-0.6 -69,-2.9 357,-0.1 2,-0.4 -0.663 16.6-171.9 -83.1 132.3 34.4 -0.7 54.4 72 98 A V B -a 2 0A 5 -2,-0.4 362,-0.4 -71,-0.3 -69,-0.2 -0.995 26.2-142.3-126.0 129.8 36.5 2.5 54.0 73 99 A R S S- 0 0 34 -71,-2.6 2,-0.3 -2,-0.4 -1,-0.1 0.948 84.8 -20.3 -56.7 -44.1 40.2 2.7 54.8 74 100 A N - 0 0 24 -72,-0.4 -1,-0.2 -3,-0.1 361,-0.0 -0.984 45.1-141.8-162.3 156.7 39.6 6.3 56.3 75 101 A F > + 0 0 34 -2,-0.3 3,-1.1 -3,-0.1 2,-0.1 -0.146 47.3 152.8-112.5 34.3 37.1 9.2 56.2 76 102 A K T 3 + 0 0 129 1,-0.2 -2,-0.1 -49,-0.1 0, 0.0 -0.438 62.3 18.8 -68.9 138.8 39.7 12.0 56.3 77 103 A K T 3 S+ 0 0 134 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.184 82.9 146.5 86.6 -7.6 38.8 15.5 54.7 78 104 A X < + 0 0 13 -3,-1.1 -50,-1.1 -33,-0.1 2,-0.4 -0.391 18.9 171.7 -63.7 120.3 35.0 14.8 54.7 79 105 A K E -eG 28 44B 98 -35,-2.5 -35,-3.1 -2,-0.2 2,-0.6 -0.987 18.5-161.3-136.2 124.7 33.1 18.0 55.3 80 106 A I E -eG 29 43B 0 -52,-2.9 -50,-2.7 -2,-0.4 2,-0.5 -0.939 7.8-167.6-107.3 119.2 29.3 18.4 55.1 81 107 A T E -eG 30 42B 46 -39,-3.2 -39,-2.8 -2,-0.6 2,-0.4 -0.942 8.9-177.9-112.2 120.0 28.1 22.0 54.7 82 108 A I E +eG 31 41B 0 -52,-2.7 -50,-2.3 -2,-0.5 2,-0.3 -0.949 5.5 175.4-121.8 138.0 24.3 22.6 55.1 83 109 A T E +eG 32 40B 26 -43,-2.5 -43,-2.8 -2,-0.4 -50,-0.2 -0.996 8.6 151.5-144.2 140.3 22.3 25.8 54.8 84 110 A S E -e 33 0B 0 -52,-1.3 -50,-2.0 -2,-0.3 -45,-0.2 -0.964 50.8-113.0-155.0 158.5 18.6 26.6 55.0 85 111 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 -66,-0.1 0.828 100.4 23.1 -66.1 -31.5 16.4 29.6 56.0 86 112 A T - 0 0 60 -68,-0.4 2,-0.3 18,-0.1 -68,-0.2 -0.955 59.7-168.8-134.9 156.0 15.1 27.8 59.1 87 113 A L + 0 0 0 -2,-0.3 -67,-0.2 18,-0.2 3,-0.1 -0.945 17.8 158.2-148.1 124.2 16.1 25.0 61.5 88 114 A N + 0 0 40 -69,-3.6 22,-2.1 -2,-0.3 2,-0.3 0.471 67.2 29.6-116.5 -15.4 13.9 23.3 64.1 89 115 A G E -di 20 110B 10 -70,-1.1 -68,-1.9 20,-0.2 2,-0.4 -0.984 44.4-172.6-156.4 143.2 15.6 19.9 64.6 90 116 A I E -di 21 111B 7 20,-2.7 22,-3.0 -2,-0.3 2,-0.5 -0.983 7.6-178.6-130.7 119.9 18.9 18.0 64.4 91 117 A S E -di 22 112B 21 -70,-2.9 -68,-2.4 -2,-0.4 2,-0.5 -0.982 12.4-171.8-115.7 108.7 18.9 14.2 64.8 92 118 A F E +di 23 113B 6 20,-3.0 22,-3.3 -2,-0.5 23,-0.2 -0.946 22.5 156.5-112.4 124.6 22.6 13.0 64.7 93 119 A K + 0 0 71 -70,-3.5 -69,-0.1 -2,-0.5 2,-0.1 -0.063 52.9 73.5-133.0 31.2 23.4 9.3 64.5 94 120 A G S S- 0 0 0 -71,-0.3 22,-2.5 2,-0.1 2,-0.5 -0.242 86.2 -76.2-123.1-151.5 26.8 9.2 62.9 95 121 A V B S+uv 26 116C 26 -70,-2.0 -68,-3.0 20,-0.2 2,-0.2 -0.986 83.5 54.5-121.6 117.0 30.5 9.9 63.6 96 122 A G S S- 0 0 10 20,-2.7 2,-0.3 -2,-0.5 -68,-0.2 -0.737 80.5 -69.9 144.5 169.6 31.6 13.5 63.6 97 123 A D - 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