==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 05-APR-04 1SZB . COMPND 2 MOLECULE: MANNOSE BINDING LECTIN-ASSOCIATED SERINE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.A.GREGORY,N.M.THIELENS,G.J.ARLAUD,J.C.FONTECILLA-CAMPS, . 333 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 51.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 5 1.5 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 . 27 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 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 . 2 2 2 1 7 0 2 0 1 1 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 0 3 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 2 A P 0 0 182 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.8 12.4 29.7 -12.7 2 3 A L - 0 0 148 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.593 360.0-110.7 -72.5 111.6 12.6 28.9 -9.0 3 4 A G - 0 0 33 -2,-0.7 172,-0.1 1,-0.1 -1,-0.1 0.011 36.5 -91.2 -44.7 143.0 11.7 32.2 -7.2 4 5 A P - 0 0 36 0, 0.0 2,-0.6 0, 0.0 169,-0.5 -0.323 39.6-117.3 -59.6 130.2 14.4 34.1 -5.3 5 6 A K - 0 0 178 -3,-0.1 172,-0.1 167,-0.1 167,-0.1 -0.617 36.7-164.1 -75.1 115.7 14.7 33.2 -1.6 6 7 A W - 0 0 17 -2,-0.6 2,-0.2 165,-0.1 166,-0.1 -0.392 30.7 -68.9 -94.5 173.2 13.9 36.3 0.4 7 8 A P - 0 0 3 0, 0.0 163,-0.2 0, 0.0 -1,-0.1 -0.405 39.0-133.0 -67.6 132.6 14.5 37.2 4.2 8 9 A E - 0 0 83 161,-0.2 2,-2.4 162,-0.2 303,-0.2 -0.640 28.2-118.1 -77.3 137.2 12.5 35.3 6.9 9 10 A P - 0 0 30 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.374 40.8-178.7 -78.6 69.8 11.3 37.9 9.3 10 11 A V + 0 0 35 -2,-2.4 110,-3.3 109,-0.0 2,-0.3 -0.569 25.8 124.2 -73.6 110.9 13.2 36.6 12.4 11 12 A F E +A 119 0A 71 -2,-0.7 2,-0.3 108,-0.3 108,-0.3 -0.971 25.3 154.6-158.6 159.5 12.2 38.8 15.3 12 13 A G E -A 118 0A 11 106,-2.3 106,-2.3 -2,-0.3 2,-0.3 -0.953 31.4-100.2-169.1-170.7 10.8 38.4 18.8 13 14 A R E -A 117 0A 122 -2,-0.3 2,-0.4 104,-0.2 104,-0.2 -0.990 18.8-168.3-136.6 140.4 10.2 39.3 22.4 14 15 A L E +A 116 0A 6 102,-2.2 102,-3.4 -2,-0.3 2,-0.3 -0.972 11.5 173.5-127.0 143.8 11.7 38.2 25.7 15 16 A A E -A 115 0A 21 -2,-0.4 100,-0.2 100,-0.2 3,-0.1 -0.997 35.2-103.8-152.0 145.4 10.4 39.0 29.2 16 17 A S > - 0 0 3 98,-2.2 3,-2.0 -2,-0.3 -2,-0.0 -0.283 61.3 -78.0 -62.1 151.7 11.2 38.0 32.8 17 18 A P T 3 S+ 0 0 30 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.244 117.5 9.0 -54.9 134.1 8.7 35.5 34.3 18 19 A G T > S- 0 0 60 1,-0.2 3,-2.7 -3,-0.1 -2,-0.1 0.625 100.1-155.9 71.9 12.1 5.5 37.1 35.4 19 20 A F T < S+ 0 0 32 -3,-2.0 -1,-0.2 1,-0.3 3,-0.1 -0.357 71.4 25.4 -60.1 142.7 6.4 40.4 33.7 20 21 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.922 116.6 74.7 -87.4 16.0 5.3 43.2 34.4 21 22 A G S < S- 0 0 34 -3,-2.7 0, 0.0 1,-0.2 0, 0.0 -0.167 101.5 -65.8 -79.3 177.9 4.7 41.8 37.9 22 23 A E - 0 0 140 -3,-0.1 2,-0.5 1,-0.1 90,-0.2 -0.272 55.6-122.9 -57.7 150.9 7.3 41.1 40.6 23 24 A Y - 0 0 3 88,-1.4 88,-0.2 -3,-0.1 -5,-0.1 -0.888 24.3-114.7-106.9 130.5 9.6 38.3 39.6 24 25 A A - 0 0 55 -2,-0.5 3,-0.5 -7,-0.2 2,-0.1 0.027 34.8-102.9 -50.8 163.4 9.9 35.3 41.9 25 26 A N S S+ 0 0 63 1,-0.2 80,-0.3 80,-0.2 79,-0.1 -0.465 97.3 25.1 -88.6 163.5 13.2 34.5 43.7 26 27 A D S S+ 0 0 102 78,-3.8 -1,-0.2 1,-0.2 78,-0.2 0.770 83.7 155.5 54.2 32.3 15.6 31.8 42.6 27 28 A Q - 0 0 45 -3,-0.5 76,-2.7 77,-0.3 2,-0.3 -0.550 22.6-172.7 -85.4 154.2 14.4 31.9 39.0 28 29 A E E +E 102 0B 112 74,-0.2 2,-0.3 -2,-0.2 74,-0.2 -0.959 9.0 169.5-147.0 125.9 16.7 30.8 36.2 29 30 A R E -E 101 0B 93 72,-2.1 72,-2.0 -2,-0.3 2,-0.3 -0.995 11.3-168.0-142.0 148.3 15.8 31.2 32.5 30 31 A R E -E 100 0B 194 -2,-0.3 2,-0.4 70,-0.2 70,-0.2 -0.995 1.6-173.1-138.7 141.0 17.7 30.9 29.2 31 32 A W E -E 99 0B 61 68,-2.5 68,-2.5 -2,-0.3 2,-0.5 -0.991 7.5-160.3-134.0 141.0 16.9 31.8 25.6 32 33 A T E -E 98 0B 93 -2,-0.4 2,-0.4 66,-0.2 66,-0.2 -0.989 13.2-176.3-125.0 120.9 18.8 31.0 22.5 33 34 A L E -E 97 0B 16 64,-3.3 64,-3.0 -2,-0.5 2,-0.3 -0.922 1.9-180.0-118.4 142.2 18.1 33.2 19.4 34 35 A T E -E 96 0B 84 -2,-0.4 62,-0.2 62,-0.2 86,-0.1 -0.991 13.2-154.5-141.1 149.5 19.6 32.7 16.0 35 36 A A - 0 0 7 60,-2.2 4,-0.2 -2,-0.3 3,-0.1 -0.842 40.3 -87.7-118.2 156.4 19.3 34.5 12.7 36 37 A P > - 0 0 26 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.255 63.2 -80.7 -58.9 152.8 19.9 33.0 9.2 37 38 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 57,-0.0 -0.261 123.6 37.0 -55.7 142.6 23.5 33.1 8.1 38 39 A G T 3 S+ 0 0 18 1,-0.2 85,-1.7 -3,-0.1 107,-0.6 0.474 105.0 91.7 91.3 2.2 24.3 36.5 6.7 39 40 A Y E < -B 122 0A 21 -3,-1.5 -4,-0.3 83,-0.2 83,-0.2 -0.998 58.4-158.0-134.1 135.0 22.1 38.1 9.4 40 41 A R E -B 121 0A 78 81,-1.9 81,-2.1 -2,-0.4 2,-0.4 -0.523 23.7-113.8-101.0 169.2 23.0 39.4 12.8 41 42 A L E -B 120 0A 0 53,-0.3 51,-1.6 79,-0.2 2,-0.5 -0.913 20.6-160.8-110.1 137.1 20.6 39.9 15.8 42 43 A R E +BC 119 91A 31 77,-2.5 77,-1.9 -2,-0.4 2,-0.3 -0.955 16.0 178.2-113.1 130.0 19.8 43.3 17.2 43 44 A L E +BC 118 90A 1 47,-2.4 47,-2.6 -2,-0.5 2,-0.3 -0.990 6.6 165.9-137.2 145.5 18.3 43.4 20.7 44 45 A Y E -B 117 0A 36 73,-2.2 73,-2.4 -2,-0.3 2,-0.4 -0.979 30.3-115.1-153.4 157.7 17.2 46.1 23.1 45 46 A F E -B 116 0A 16 43,-0.4 71,-0.2 41,-0.4 3,-0.1 -0.822 16.7-177.5-103.7 136.7 15.2 46.6 26.3 46 47 A T E S+ 0 0 29 69,-1.8 2,-0.3 -2,-0.4 70,-0.2 0.630 83.8 24.6 -98.1 -20.3 11.9 48.5 26.6 47 48 A H E +B 115 0A 50 68,-1.4 68,-2.1 272,-0.1 -1,-0.3 -0.979 62.3 171.3-148.4 129.6 11.8 47.8 30.4 48 49 A F E +B 114 0A 5 -2,-0.3 29,-1.9 66,-0.2 2,-0.3 -0.839 12.9 148.6-147.0 109.3 14.5 47.1 32.9 49 50 A D E +BD 113 76A 22 64,-3.2 64,-1.9 -2,-0.3 2,-0.3 -0.771 20.6 147.7-143.6 89.5 14.0 46.9 36.7 50 51 A L - 0 0 0 25,-1.7 24,-0.1 -2,-0.3 2,-0.1 -0.868 56.6 -78.4-126.5 159.7 16.2 44.5 38.7 51 52 A E - 0 0 13 -2,-0.3 24,-0.5 24,-0.1 8,-0.4 -0.317 56.3-119.3 -54.8 122.4 17.8 44.3 42.1 52 53 A L + 0 0 61 22,-0.2 2,-0.3 6,-0.1 -1,-0.1 -0.502 38.4 174.3 -72.7 132.9 20.9 46.5 42.0 53 54 A S > - 0 0 3 -2,-0.2 3,-1.8 6,-0.1 30,-0.1 -0.997 40.7-121.1-142.9 134.1 24.2 44.8 42.6 54 55 A H T 3 S+ 0 0 137 -2,-0.3 -1,-0.1 1,-0.3 20,-0.0 0.741 115.1 6.7 -43.8 -34.1 27.8 46.1 42.4 55 56 A L T 3 S- 0 0 145 18,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 -0.037 109.5-103.1-140.1 28.8 28.7 43.5 39.7 56 57 A a S < S+ 0 0 4 -3,-1.8 -2,-0.1 1,-0.1 17,-0.1 0.829 74.8 142.6 50.7 38.8 25.3 42.0 39.1 57 58 A E + 0 0 97 3,-0.0 -1,-0.1 17,-0.0 3,-0.1 0.687 69.3 45.4 -78.6 -19.3 26.2 39.0 41.2 58 59 A Y S S- 0 0 122 1,-0.4 2,-0.3 -7,-0.1 -6,-0.1 0.849 125.7 -2.1 -86.4 -96.0 22.7 38.9 42.6 59 60 A D S S+ 0 0 0 -8,-0.4 -1,-0.4 44,-0.1 2,-0.3 -0.695 82.5 148.5 -95.5 153.4 20.0 39.3 40.0 60 61 A F E -F 102 0B 35 42,-1.5 42,-2.5 -2,-0.3 2,-0.4 -0.997 45.5-131.0-173.1 169.5 20.9 39.9 36.4 61 62 A V E -FG 101 73B 0 12,-2.1 12,-3.5 -2,-0.3 2,-0.4 -0.978 29.0-165.4-133.4 114.1 20.4 39.6 32.7 62 63 A K E -FG 100 72B 78 38,-2.3 38,-2.0 -2,-0.4 2,-0.4 -0.868 3.6-158.5-106.0 137.9 23.5 38.4 30.8 63 64 A L E +FG 99 71B 0 8,-2.0 7,-1.8 -2,-0.4 8,-1.1 -0.950 15.6 177.9-115.7 135.3 23.8 38.6 27.0 64 65 A S E -FG 98 69B 15 34,-2.1 34,-3.8 -2,-0.4 2,-0.5 -1.000 24.6-169.5-142.9 139.9 26.2 36.4 25.1 65 66 A S S S- 0 0 6 3,-1.7 3,-0.4 -2,-0.4 32,-0.1 -0.975 75.5 -52.1-123.8 107.7 27.2 35.8 21.5 66 67 A G S S- 0 0 56 -2,-0.5 32,-0.1 1,-0.2 26,-0.0 -0.341 119.6 -18.9 60.6-134.1 29.3 32.6 21.5 67 68 A A S S+ 0 0 102 -3,-0.1 -1,-0.2 2,-0.1 0, 0.0 0.977 116.9 88.0 -70.0 -55.8 32.1 32.9 24.0 68 69 A K S S- 0 0 129 -3,-0.4 -3,-1.7 1,-0.1 2,-0.7 -0.065 72.0-137.4 -49.0 139.5 32.1 36.7 24.5 69 70 A V E -G 64 0B 65 -5,-0.2 -5,-0.3 1,-0.2 3,-0.1 -0.906 8.4-159.9-103.1 115.2 29.8 38.1 27.1 70 71 A L E - 0 0 40 -7,-1.8 2,-0.2 -2,-0.7 -6,-0.2 0.835 63.2 -45.8 -64.9 -35.0 28.1 41.2 25.8 71 72 A A E -G 63 0B 28 -8,-1.1 -8,-2.0 -3,-0.1 2,-0.7 -0.851 41.0-121.8 169.7 154.2 27.3 42.5 29.3 72 73 A T E -G 62 0B 58 -2,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.940 37.9-160.1-115.8 106.7 25.8 41.6 32.6 73 74 A L E +G 61 0B 9 -12,-3.5 -12,-2.1 -2,-0.7 2,-0.3 -0.649 25.3 133.5 -95.7 145.5 22.8 43.8 33.3 74 75 A a + 0 0 0 9,-0.6 -22,-0.2 -2,-0.3 -23,-0.1 -0.960 28.9 68.4-169.2 172.8 21.1 44.7 36.6 75 76 A G S S- 0 0 0 -24,-0.5 -25,-1.7 -2,-0.3 2,-0.3 -0.188 80.3 -62.1 92.2 169.7 19.8 47.6 38.5 76 77 A Q B >> -D 49 0A 41 -27,-0.3 5,-0.9 1,-0.1 4,-0.7 -0.700 24.8-141.5 -97.9 144.1 16.8 49.8 37.9 77 78 A E T 45S+ 0 0 62 -29,-1.9 -28,-0.1 -2,-0.3 -1,-0.1 0.657 103.4 64.6 -72.7 -16.9 16.4 52.1 34.8 78 79 A S T 45S+ 0 0 96 -30,-0.2 -1,-0.2 1,-0.2 -29,-0.1 0.853 105.7 39.2 -73.8 -38.5 14.9 54.6 37.3 79 80 A T T 45S- 0 0 73 -3,-0.3 -1,-0.2 0, 0.0 -2,-0.2 0.585 98.7-144.0 -86.9 -12.1 18.1 55.1 39.3 80 81 A D T <5 + 0 0 121 -4,-0.7 -3,-0.2 2,-0.0 -2,-0.1 0.906 34.3 169.4 48.9 52.6 20.1 55.0 36.0 81 82 A T < - 0 0 35 -5,-0.9 -6,-0.0 -7,-0.1 -29,-0.0 0.208 47.7 -99.2 -72.4-156.6 23.0 53.1 37.6 82 83 A E S S+ 0 0 168 1,-0.1 -1,-0.1 4,-0.0 -7,-0.1 0.664 113.9 62.3-103.0 -20.8 25.8 51.7 35.4 83 84 A R S S+ 0 0 74 -10,-0.1 -9,-0.6 -7,-0.1 -8,-0.1 0.752 82.9 97.5 -76.7 -24.1 24.7 48.1 35.3 84 85 A A S S- 0 0 16 -11,-0.2 -8,-0.1 -8,-0.2 -9,-0.1 -0.274 75.3-131.8 -66.3 150.8 21.4 48.9 33.6 85 86 A P > - 0 0 4 0, 0.0 3,-1.5 0, 0.0 2,-0.1 0.861 34.7-178.6 -70.8 -38.0 21.1 48.5 29.7 86 87 A G T 3 - 0 0 22 1,-0.2 -41,-0.4 -38,-0.1 -9,-0.0 -0.505 65.4 -38.0 69.2-141.6 19.5 51.8 29.2 87 88 A K T 3 S+ 0 0 197 -2,-0.1 -1,-0.2 -43,-0.1 -41,-0.0 0.293 96.7 137.2-100.4 8.9 18.7 52.3 25.5 88 89 A D < - 0 0 107 -3,-1.5 -43,-0.4 1,-0.1 2,-0.4 -0.118 48.1-136.0 -52.9 151.3 21.9 50.6 24.3 89 90 A T - 0 0 63 -45,-0.1 2,-0.4 -47,-0.0 -45,-0.2 -0.886 15.1-152.1-110.2 145.1 21.5 48.2 21.4 90 91 A F E -C 43 0A 23 -47,-2.6 -47,-2.4 -2,-0.4 2,-0.4 -0.941 7.9-164.0-120.9 142.8 23.2 44.8 21.4 91 92 A Y E -C 42 0A 77 -2,-0.4 2,-0.3 -49,-0.2 -49,-0.2 -0.960 22.1-119.1-129.0 145.3 24.4 42.8 18.4 92 93 A S - 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