==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 03-JUL-09 3I57 . COMPND 2 MOLECULE: MUCUS BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS REUTERI; . AUTHOR A.M.HEMMINGS,D.A.MACKENZIE,L.E.TAILFORD,N.JUGE . 368 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 35 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 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 1 0 0 0 2 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 . 2 2 6 2 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 2 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 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 0 137 0, 0.0 2,-0.3 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 154.1 -6.3 30.0 -56.5 2 2 A Q E -A 24 0A 4 22,-3.4 22,-2.0 64,-0.0 2,-0.4 -0.793 360.0-142.7-108.3 157.8 -3.2 28.2 -55.0 3 3 A K E -A 23 0A 60 -2,-0.3 64,-2.2 20,-0.2 2,-0.4 -0.950 12.5-171.4-127.3 144.0 -3.2 26.3 -51.7 4 4 A V E -Ab 22 67A 0 18,-2.7 18,-2.4 -2,-0.4 2,-0.4 -0.961 5.1-161.8-130.5 144.4 -0.6 26.0 -49.0 5 5 A H E -Ab 21 68A 12 62,-2.4 64,-2.4 -2,-0.4 2,-0.6 -0.985 2.3-161.6-131.3 124.2 -0.6 23.7 -46.0 6 6 A V E -Ab 20 69A 0 14,-3.2 14,-2.4 -2,-0.4 2,-0.6 -0.914 13.4-158.8-109.5 121.8 1.6 24.3 -43.0 7 7 A Q E -Ab 19 70A 36 62,-3.0 64,-2.9 -2,-0.6 2,-0.5 -0.875 8.5-152.7-112.4 121.5 1.9 21.2 -40.8 8 8 A Y E -Ab 18 71A 0 10,-2.8 9,-3.5 -2,-0.6 10,-1.1 -0.807 26.5-170.2 -92.5 121.1 3.0 21.2 -37.2 9 9 A I E -Ab 16 72A 28 62,-3.2 64,-2.7 -2,-0.5 2,-0.9 -0.918 32.1-140.4-124.0 137.2 4.6 17.9 -36.3 10 10 A D E >> -Ab 15 73A 4 5,-3.1 5,-1.7 -2,-0.4 4,-1.0 -0.856 22.8-167.8 -88.1 106.4 5.9 16.0 -33.2 11 11 A G T 45S+ 0 0 23 62,-2.8 63,-0.2 -2,-0.9 -1,-0.1 0.501 80.1 58.7 -78.8 -3.2 9.1 14.6 -34.7 12 12 A E T 45S+ 0 0 67 61,-0.4 -1,-0.2 3,-0.1 62,-0.1 0.801 120.6 25.2 -88.9 -33.6 9.6 12.2 -31.7 13 13 A T T 45S- 0 0 83 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.382 101.7-126.4-108.9 2.3 6.3 10.5 -32.2 14 14 A D T <5 + 0 0 139 -4,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.954 61.9 143.7 44.3 61.6 5.9 11.2 -35.9 15 15 A Q E < -A 10 0A 87 -5,-1.7 -5,-3.1 0, 0.0 2,-0.4 -0.988 53.2-126.9-132.4 131.1 2.4 12.7 -35.2 16 16 A M E -A 9 0A 47 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.696 22.1-175.6 -79.9 131.0 0.7 15.7 -36.9 17 17 A L E - 0 0 32 -9,-3.5 2,-0.3 -2,-0.4 -8,-0.2 0.757 62.9 -19.0 -97.5 -31.9 -0.4 18.1 -34.2 18 18 A R E -A 8 0A 46 -10,-1.1 -10,-2.8 2,-0.0 2,-0.4 -0.943 52.3-146.4-169.9 151.0 -2.2 20.7 -36.4 19 19 A Q E -Ac 7 235A 21 215,-2.8 217,-0.6 -2,-0.3 2,-0.5 -0.998 8.7-158.7-129.5 133.3 -2.4 21.9 -40.0 20 20 A D E -Ac 6 236A 32 -14,-2.4 -14,-3.2 -2,-0.4 2,-0.3 -0.950 10.6-154.7-110.1 127.0 -3.1 25.4 -41.2 21 21 A D E +A 5 0A 32 215,-0.5 2,-0.3 -2,-0.5 -16,-0.2 -0.773 13.1 179.8 -99.1 142.1 -4.4 26.0 -44.7 22 22 A L E -A 4 0A 31 -18,-2.4 -18,-2.7 -2,-0.3 2,-0.3 -0.983 9.8-159.9-135.8 146.6 -3.9 29.2 -46.7 23 23 A D E +A 3 0A 44 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.956 23.9 147.0-121.5 150.0 -5.1 30.1 -50.2 24 24 A G E -A 2 0A 3 -22,-2.0 -22,-3.4 -2,-0.3 2,-0.3 -0.951 43.4 -75.5-163.6-177.8 -3.6 32.8 -52.4 25 25 A Y > - 0 0 153 -2,-0.3 3,-2.4 -24,-0.2 34,-0.4 -0.608 57.0 -88.7 -90.1 148.3 -2.8 34.1 -55.8 26 26 A T T 3 S+ 0 0 46 1,-0.3 34,-0.2 -2,-0.3 35,-0.1 -0.343 115.2 12.6 -55.4 132.8 0.1 32.9 -57.9 27 27 A D T 3 S+ 0 0 101 32,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.306 93.5 132.5 75.7 -3.7 3.2 34.9 -57.2 28 28 A E < - 0 0 61 -3,-2.4 31,-2.5 32,-0.2 -1,-0.3 -0.562 68.4-110.2 -69.9 138.6 1.6 36.5 -54.1 29 29 A T B -H 58 0B 88 29,-0.2 29,-0.3 -2,-0.2 28,-0.1 -0.570 40.1-107.3 -66.7 129.8 3.9 36.3 -51.0 30 30 A I - 0 0 7 27,-2.8 2,-2.2 -2,-0.3 26,-0.2 -0.458 27.7-140.0 -67.3 118.0 2.3 33.8 -48.7 31 31 A P + 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.463 62.5 106.6 -83.5 71.8 1.0 36.0 -45.9 32 32 A Y - 0 0 49 -2,-2.2 2,-0.4 -10,-0.0 24,-0.2 -0.997 46.2-167.2-147.8 146.3 1.9 33.6 -43.0 33 33 A S - 0 0 76 -2,-0.3 3,-0.4 22,-0.1 4,-0.4 -0.990 20.4-145.4-130.7 143.5 4.4 33.3 -40.2 34 34 A T S > S+ 0 0 13 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.440 77.6 99.9 -81.0 0.9 5.1 30.2 -38.2 35 35 A A H > S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.904 81.0 42.4 -61.1 -48.4 5.8 32.4 -35.2 36 36 A E H > S+ 0 0 169 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.904 115.9 49.3 -64.0 -41.1 2.5 32.1 -33.4 37 37 A G H > S+ 0 0 1 -4,-0.4 4,-2.4 2,-0.2 5,-0.2 0.922 111.8 48.7 -66.7 -42.4 2.2 28.3 -34.0 38 38 A I H X S+ 0 0 21 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.958 111.5 50.2 -59.9 -48.0 5.8 27.8 -32.8 39 39 A K H X S+ 0 0 165 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.914 110.1 51.2 -54.4 -45.2 5.0 29.9 -29.6 40 40 A K H X S+ 0 0 67 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.953 113.1 42.5 -59.0 -53.3 1.8 27.8 -29.0 41 41 A F H ><>S+ 0 0 10 -4,-2.4 5,-2.1 1,-0.2 3,-1.4 0.897 110.7 55.3 -66.7 -35.1 3.5 24.4 -29.2 42 42 A E H ><5S+ 0 0 88 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.884 103.3 58.6 -64.5 -29.3 6.6 25.6 -27.2 43 43 A G H 3<5S+ 0 0 65 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.670 102.5 53.3 -69.2 -18.0 4.0 26.6 -24.6 44 44 A D T <<5S- 0 0 73 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.164 133.8 -88.1 -99.9 14.5 2.9 22.9 -24.5 45 45 A G T < 5S+ 0 0 9 -3,-1.6 31,-2.4 1,-0.3 84,-0.4 0.336 85.2 130.8 104.1 -10.4 6.4 21.7 -23.8 46 46 A Y E < -D 75 0A 24 -5,-2.1 2,-0.4 29,-0.2 -1,-0.3 -0.284 43.3-149.1 -75.3 164.9 7.7 21.3 -27.4 47 47 A E E -D 74 0A 88 27,-2.5 27,-2.9 29,-0.0 2,-0.1 -0.998 27.9-109.6-132.2 129.4 11.0 22.7 -28.7 48 48 A L E +D 73 0A 62 -2,-0.4 25,-0.3 25,-0.2 3,-0.1 -0.361 39.4 168.9 -57.8 128.3 11.4 23.7 -32.3 49 49 A F E - 0 0 116 23,-2.9 2,-0.3 1,-0.2 24,-0.2 0.776 67.6 -1.7-103.0 -51.1 13.6 21.3 -34.2 50 50 A K E -D 72 0A 106 22,-2.2 22,-3.6 0, 0.0 2,-0.7 -0.909 51.8-162.2-150.9 117.4 13.1 22.3 -37.8 51 51 A D E -D 71 0A 55 -2,-0.3 20,-0.2 20,-0.2 -17,-0.0 -0.890 11.1-179.9 -98.7 110.5 11.0 25.0 -39.4 52 52 A N + 0 0 68 18,-2.8 19,-0.2 -2,-0.7 -1,-0.1 0.320 46.9 109.4 -94.7 5.8 10.7 24.1 -43.1 53 53 A F S S- 0 0 21 17,-0.2 2,-0.2 16,-0.1 -19,-0.1 -0.750 71.3-131.1 -82.7 114.4 8.5 27.1 -44.1 54 54 A P > - 0 0 47 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 -0.462 19.5-104.9 -76.4 138.6 10.7 29.3 -46.1 55 55 A A T 3 S+ 0 0 105 1,-0.3 -22,-0.1 -2,-0.2 0, 0.0 -0.284 103.3 2.3 -52.0 127.1 11.0 33.0 -45.4 56 56 A G T 3 S+ 0 0 61 -24,-0.2 -1,-0.3 1,-0.2 -26,-0.0 0.658 87.9 172.5 69.2 15.4 9.1 35.1 -48.0 57 57 A E < - 0 0 54 -3,-1.8 -27,-2.8 -28,-0.1 2,-0.3 -0.288 19.2-144.1 -52.7 138.0 7.9 32.0 -49.9 58 58 A K B -H 29 0B 105 -29,-0.3 -29,-0.2 -27,-0.0 2,-0.2 -0.769 22.9 -97.1-101.2 156.0 5.3 32.7 -52.7 59 59 A F - 0 0 1 -31,-2.5 -32,-2.4 -34,-0.4 -55,-0.1 -0.503 50.6-123.6 -64.0 136.7 2.3 30.8 -53.9 60 60 A D - 0 0 41 -34,-0.2 -32,-0.2 -2,-0.2 -33,-0.1 0.066 7.8-119.2 -74.5-174.5 3.4 28.7 -56.9 61 61 A N S S+ 0 0 130 -35,-0.1 2,-0.5 -34,-0.1 -1,-0.1 -0.299 78.7 108.5-120.3 43.4 2.0 28.6 -60.5 62 62 A D - 0 0 56 3,-0.2 3,-0.3 1,-0.1 -2,-0.1 -0.910 42.2-177.4-129.8 98.8 1.0 24.9 -60.3 63 63 A D S S+ 0 0 127 -2,-0.5 -1,-0.1 1,-0.2 -60,-0.1 0.784 80.8 56.7 -64.8 -32.8 -2.7 24.3 -60.1 64 64 A T S S+ 0 0 113 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.797 106.3 48.9 -76.4 -30.0 -2.4 20.5 -59.9 65 65 A N - 0 0 87 -3,-0.3 -3,-0.2 -62,-0.0 -62,-0.2 -0.923 69.2-144.3-120.5 135.5 -0.2 20.4 -56.8 66 66 A D - 0 0 58 -2,-0.4 2,-0.5 -64,-0.1 -62,-0.2 -0.460 25.4-113.0 -84.6 165.2 -0.5 22.2 -53.4 67 67 A Q E -b 4 0A 19 -64,-2.2 -62,-2.4 -2,-0.1 2,-0.4 -0.864 30.5-167.7-100.9 130.5 2.5 23.4 -51.3 68 68 A F E +b 5 0A 112 -2,-0.5 2,-0.4 -64,-0.2 -62,-0.2 -0.974 7.6 179.3-118.4 136.6 3.3 21.7 -48.0 69 69 A Y E -b 6 0A 26 -64,-2.4 -62,-3.0 -2,-0.4 2,-0.3 -0.992 14.1-148.6-136.1 130.4 5.7 22.9 -45.3 70 70 A T E -b 7 0A 41 -2,-0.4 -18,-2.8 -64,-0.2 2,-0.5 -0.644 7.5-160.6 -96.6 148.1 6.4 21.1 -42.0 71 71 A V E -bD 8 51A 0 -64,-2.9 -62,-3.2 -2,-0.3 2,-0.4 -0.975 24.2-160.4-122.7 113.8 7.3 22.7 -38.7 72 72 A I E -bD 9 50A 40 -22,-3.6 -23,-2.9 -2,-0.5 -22,-2.2 -0.821 10.0-173.5-110.7 133.5 8.9 19.9 -36.7 73 73 A F E -bD 10 48A 0 -64,-2.7 -62,-2.8 -2,-0.4 -61,-0.4 -0.858 12.0-156.6-117.5 156.7 9.3 19.8 -32.9 74 74 A K E - D 0 47A 81 -27,-2.9 -27,-2.5 -2,-0.3 2,-0.5 -0.668 41.3 -87.9-111.5-180.0 11.0 17.6 -30.4 75 75 A H E - D 0 46A 12 -2,-0.2 -29,-0.2 -29,-0.2 2,-0.2 -0.786 39.3-126.5 -90.7 126.9 10.0 17.4 -26.7 76 76 A H - 0 0 67 -31,-2.4 52,-2.9 -2,-0.5 53,-0.4 -0.514 31.6-164.4 -67.1 136.0 11.7 19.9 -24.4 77 77 A R E -I 127 0C 110 50,-0.2 2,-0.3 -2,-0.2 50,-0.2 -0.917 13.5-174.0-124.3 152.6 13.5 18.2 -21.5 78 78 A E E -I 126 0C 84 48,-1.8 48,-3.0 -2,-0.3 2,-0.3 -0.996 30.3-113.3-143.7 139.7 14.9 19.4 -18.2 79 79 A N E -I 125 0C 140 -2,-0.3 2,-0.3 46,-0.2 46,-0.3 -0.540 38.8-165.5 -71.2 135.4 16.9 17.6 -15.5 80 80 A V E -I 124 0C 7 44,-2.9 44,-1.9 -2,-0.3 -1,-0.0 -0.854 17.4-112.8-124.2 160.8 15.0 17.2 -12.3 81 81 A D > - 0 0 107 -2,-0.3 3,-1.9 42,-0.2 11,-0.1 -0.325 40.5 -97.2 -83.4 167.1 15.8 16.2 -8.7 82 82 A P T 3 S+ 0 0 19 0, 0.0 10,-0.8 0, 0.0 -1,-0.1 0.649 119.8 61.6 -60.6 -16.2 14.6 13.0 -6.9 83 83 A N T 3 S+ 0 0 143 8,-0.1 2,-0.1 9,-0.1 40,-0.1 0.455 78.2 115.9 -90.8 1.1 11.7 14.9 -5.3 84 84 A H < - 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