==== 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 SUGAR BINDING PROTEIN 08-NOV-04 1XXQ . COMPND 2 MOLECULE: MANNOSE-BINDING LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MORUS NIGRA; . AUTHOR A.RABIJNS,A.BARRE,E.J.M.VAN DAMME,W.J.PEUMANS,C.J.DE RANTER, . 616 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 69.3 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 . 296 48.1 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 . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 65 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 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 4 0 12 3 9 4 5 3 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 8 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 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 8 A T 0 0 140 0, 0.0 2,-0.4 0, 0.0 285,-0.2 0.000 360.0 360.0 360.0 137.2 -28.5 -49.0 -41.2 2 9 A Q + 0 0 25 283,-1.4 3,-0.1 1,-0.1 282,-0.0 -0.613 360.0 163.3 -78.7 130.2 -30.6 -47.1 -38.7 3 10 A T + 0 0 123 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.351 58.2 48.3-127.1 2.3 -33.0 -49.2 -36.7 4 11 A T - 0 0 55 2,-0.1 230,-0.2 1,-0.0 -1,-0.1 -0.986 66.4-136.0-143.0 153.7 -34.0 -46.9 -33.8 5 12 A G S S+ 0 0 2 228,-1.4 2,-0.5 -2,-0.3 181,-0.3 0.450 79.5 90.0 -89.3 0.5 -35.1 -43.3 -33.4 6 13 A T - 0 0 51 227,-0.1 179,-0.2 179,-0.1 -2,-0.1 -0.862 69.7-139.9-102.7 125.4 -32.9 -42.6 -30.4 7 14 A S - 0 0 14 177,-2.6 2,-0.3 -2,-0.5 302,-0.1 -0.199 21.5-148.9 -72.4 170.7 -29.4 -41.2 -31.0 8 15 A Q - 0 0 62 3,-0.0 2,-0.3 588,-0.0 301,-0.2 -0.893 12.7-155.6-141.0 169.8 -26.4 -42.4 -29.0 9 16 A T - 0 0 20 -2,-0.3 144,-0.2 300,-0.1 2,-0.1 -0.931 39.4 -86.0-139.6 162.1 -23.1 -41.4 -27.5 10 17 A I E -A 152 0A 2 142,-1.3 142,-3.0 -2,-0.3 2,-0.4 -0.440 44.0-158.8 -67.1 142.8 -19.9 -43.2 -26.4 11 18 A E E -AB 151 596A 25 585,-2.4 584,-2.9 140,-0.2 585,-2.0 -0.993 10.1-175.4-131.7 125.8 -20.2 -44.5 -22.8 12 19 A V E -AB 150 594A 0 138,-2.4 138,-2.4 -2,-0.4 582,-0.3 -0.892 36.2 -2.8-119.5 151.8 -17.2 -45.4 -20.6 13 20 A G E - 0 0 6 580,-2.8 136,-0.2 -2,-0.3 2,-0.1 -0.664 17.2-157.7 109.2-169.5 -17.3 -46.8 -17.1 14 21 A L E - 0 0 60 134,-0.5 2,-0.4 -2,-0.2 -1,-0.3 0.506 32.3-179.7 -84.7 156.2 -18.6 -47.7 -14.7 15 22 A W E +A 148 0A 11 133,-2.4 133,-2.2 -3,-0.2 2,-0.3 -0.927 51.9 34.8-110.6 138.2 -15.9 -47.4 -12.2 16 23 A G E S-A 147 0A 32 -2,-0.4 131,-0.3 131,-0.2 85,-0.2 -0.807 91.9 -38.3 120.4-161.2 -16.9 -48.5 -8.7 17 24 A G - 0 0 8 129,-2.3 85,-0.1 83,-0.6 -3,-0.1 -0.442 42.1-113.3-104.4 176.9 -19.1 -51.1 -7.1 18 25 A P S S+ 0 0 77 0, 0.0 4,-0.1 0, 0.0 129,-0.1 0.406 78.6 107.1 -86.1 -2.5 -22.5 -52.9 -7.8 19 26 A G + 0 0 26 81,-0.4 127,-0.1 127,-0.1 128,-0.1 -0.043 60.6 28.9 -71.3 178.6 -24.3 -51.5 -4.8 20 27 A G S S- 0 0 33 120,-0.1 2,-0.4 126,-0.1 122,-0.3 -0.152 99.2 -53.8 69.2-164.7 -26.9 -48.8 -4.7 21 28 A N E -C 141 0A 124 120,-2.8 120,-2.3 0, 0.0 125,-0.1 -0.947 53.9-114.0-117.8 135.6 -29.4 -48.0 -7.5 22 29 A A E +C 140 0A 70 -2,-0.4 2,-0.3 118,-0.2 118,-0.3 -0.328 36.3 175.5 -68.2 144.0 -28.4 -47.3 -11.1 23 30 A W E -C 139 0A 29 116,-2.5 116,-2.8 -2,-0.0 2,-0.3 -0.979 14.5-171.6-145.7 155.2 -29.0 -43.9 -12.6 24 31 A D E -C 138 0A 72 -2,-0.3 114,-0.2 114,-0.3 3,-0.1 -0.864 12.1-163.1-153.3 112.6 -28.2 -42.2 -15.9 25 32 A D - 0 0 5 112,-2.3 2,-0.2 -2,-0.3 113,-0.1 0.735 40.7-135.8 -67.8 -23.0 -28.7 -38.5 -16.6 26 33 A G - 0 0 7 111,-0.5 2,-0.3 32,-0.0 -1,-0.2 -0.565 34.2 -54.1 95.1-165.0 -28.5 -39.1 -20.4 27 34 A S + 0 0 17 -2,-0.2 109,-0.2 109,-0.1 2,-0.2 -0.854 51.2 163.2-119.3 153.5 -26.5 -36.8 -22.7 28 35 A Y - 0 0 19 107,-2.4 23,-0.2 -2,-0.3 3,-0.1 -0.493 51.4 -84.6-139.2-154.2 -26.5 -33.1 -23.4 29 36 A T S S- 0 0 2 21,-2.4 133,-2.6 1,-0.3 2,-0.3 0.438 91.0 -40.9-107.0 0.2 -24.2 -30.5 -25.0 30 37 A G E -E 50 0B 1 20,-0.8 20,-2.2 105,-0.3 2,-0.4 -0.972 61.2 -79.0 164.0-176.7 -21.9 -29.8 -22.1 31 38 A I E +E 49 0B 13 129,-0.3 18,-0.2 -2,-0.3 3,-0.1 -0.965 30.5 166.9-121.3 130.0 -21.4 -29.2 -18.3 32 39 A R E + 0 0 61 16,-2.5 43,-2.2 -2,-0.4 2,-0.3 0.775 68.0 4.7-106.5 -39.3 -22.2 -26.0 -16.5 33 40 A E E -EF 48 74B 28 15,-2.0 15,-2.8 41,-0.2 2,-0.4 -0.998 51.3-156.7-153.6 145.5 -22.1 -26.9 -12.8 34 41 A I E -EF 47 73B 0 39,-2.7 39,-3.6 -2,-0.3 2,-0.5 -0.988 9.4-169.7-125.5 126.0 -21.4 -29.9 -10.5 35 42 A N E +EF 46 72B 43 11,-3.3 11,-2.9 -2,-0.4 2,-0.3 -0.967 21.7 150.1-117.5 122.1 -22.8 -30.1 -7.0 36 43 A L E -EF 45 71B 4 35,-2.4 35,-3.1 -2,-0.5 2,-0.3 -0.876 31.6-142.7-142.1 172.9 -21.5 -32.9 -4.7 37 44 A S E - F 0 70B 8 7,-1.6 6,-2.6 -2,-0.3 2,-0.3 -0.966 20.7-173.3-136.7 151.8 -20.9 -33.7 -1.1 38 45 A H E +EF 42 69B 36 31,-1.8 31,-2.3 -2,-0.3 4,-0.2 -0.997 25.6 134.1-151.3 155.4 -18.1 -35.6 0.5 39 46 A G S S- 0 0 18 2,-2.4 3,-0.1 -2,-0.3 26,-0.0 -0.227 94.0 -8.6-156.8-107.1 -16.7 -37.1 3.7 40 47 A D S S- 0 0 45 78,-0.1 2,-0.3 -2,-0.1 79,-0.2 0.400 142.6 -4.8 -85.8 5.5 -15.3 -40.6 3.9 41 48 A A S S- 0 0 0 77,-0.1 -2,-2.4 79,-0.0 2,-0.6 -0.934 97.5 -66.6-171.6-174.9 -16.6 -40.9 0.3 42 49 A I E +E 38 0B 0 60,-2.4 103,-3.0 103,-0.3 -4,-0.3 -0.842 50.5 170.8 -93.6 124.0 -18.6 -39.0 -2.3 43 50 A G E + 0 0 0 -6,-2.6 2,-0.2 -2,-0.6 -1,-0.2 0.884 55.1 27.7 -96.3 -77.3 -22.2 -38.7 -1.2 44 51 A A E + 0 0 20 21,-0.2 -7,-1.6 19,-0.1 2,-0.3 -0.603 59.4 178.9 -89.4 151.1 -24.4 -36.4 -3.3 45 52 A F E +E 36 0B 0 16,-2.2 2,-0.3 -9,-0.2 16,-0.3 -0.846 9.8 156.7-155.6 112.3 -23.8 -35.8 -7.0 46 53 A S E -E 35 0B 20 -11,-2.9 -11,-3.3 -2,-0.3 2,-0.4 -0.990 19.7-154.4-138.6 147.4 -25.9 -33.6 -9.2 47 54 A V E -E 34 0B 1 12,-0.5 11,-2.7 -2,-0.3 2,-0.7 -0.944 14.6-151.9-129.7 144.6 -25.2 -31.7 -12.4 48 55 A I E -EG 33 57B 40 -15,-2.8 -16,-2.5 -2,-0.4 -15,-2.0 -0.962 32.3-163.6-109.1 111.9 -26.5 -28.7 -14.3 49 56 A Y E -EG 31 56B 0 7,-3.0 7,-2.6 -2,-0.7 2,-0.4 -0.408 19.1-116.9 -92.0 170.2 -25.9 -29.4 -17.9 50 57 A D E -EG 30 55B 1 -20,-2.2 -21,-2.4 5,-0.2 -20,-0.8 -0.889 24.3-170.6-103.8 139.3 -25.8 -27.2 -20.9 51 58 A L E > S- G 0 54B 8 3,-2.6 3,-1.0 -2,-0.4 132,-0.0 -0.830 72.2 -41.1-133.0 92.9 -28.4 -27.9 -23.6 52 59 A N T 3 S- 0 0 47 -2,-0.4 127,-0.1 1,-0.2 109,-0.0 0.878 124.2 -38.3 56.1 43.7 -27.8 -25.9 -26.7 53 60 A G T 3 S+ 0 0 37 1,-0.2 -1,-0.2 128,-0.0 128,-0.0 0.428 123.4 92.3 91.9 -3.0 -26.9 -22.7 -24.8 54 61 A Q E < S-G 51 0B 138 -3,-1.0 -3,-2.6 2,-0.0 -1,-0.2 -0.972 79.6-108.5-125.1 140.7 -29.4 -23.0 -22.0 55 62 A P E -G 50 0B 74 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.301 29.3-166.3 -64.8 150.2 -28.9 -24.6 -18.6 56 63 A F E -G 49 0B 61 -7,-2.6 -7,-3.0 0, 0.0 2,-0.6 -0.950 16.9-136.0-140.1 116.8 -30.7 -27.9 -18.0 57 64 A T E -G 48 0B 100 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.624 22.9-144.6 -76.4 117.7 -30.9 -29.2 -14.4 58 65 A G - 0 0 3 -11,-2.7 -32,-0.0 -2,-0.6 -33,-0.0 -0.272 35.1 -75.9 -76.4 167.0 -30.1 -32.9 -14.4 59 66 A P - 0 0 63 0, 0.0 -12,-0.5 0, 0.0 2,-0.2 -0.332 55.7-114.0 -62.1 147.4 -31.8 -35.4 -12.1 60 67 A T - 0 0 96 -14,-0.1 -14,-0.2 -3,-0.1 3,-0.1 -0.523 24.4-170.5 -85.5 151.9 -30.5 -35.2 -8.5 61 68 A H + 0 0 20 -16,-0.3 -16,-2.2 -2,-0.2 81,-0.1 -0.613 17.2 165.8-139.2 69.9 -28.6 -38.0 -6.8 62 69 A P > - 0 0 82 0, 0.0 3,-0.5 0, 0.0 -16,-0.1 0.633 21.5-164.2 -63.3 -19.4 -28.4 -36.7 -3.2 63 70 A G T 3 - 0 0 22 1,-0.2 81,-0.2 -18,-0.1 80,-0.2 -0.298 35.0 -88.1 59.8-153.3 -27.4 -39.9 -1.6 64 71 A N T 3 S+ 0 0 89 79,-3.2 -1,-0.2 1,-0.0 80,-0.1 -0.334 77.3 121.5-156.8 67.7 -27.9 -39.8 2.2 65 72 A E X - 0 0 32 -3,-0.5 3,-1.3 1,-0.1 -21,-0.2 -0.759 29.2-178.2-133.5 85.5 -25.0 -38.4 4.2 66 73 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.729 82.2 56.1 -53.9 -28.9 -26.2 -35.4 6.2 67 74 A S T 3 S+ 0 0 103 2,-0.1 -29,-0.1 -30,-0.0 -2,-0.0 0.712 81.4 109.3 -81.4 -21.5 -22.7 -34.8 7.6 68 75 A F S < S- 0 0 18 -3,-1.3 2,-0.4 1,-0.1 -29,-0.2 -0.204 74.4-115.0 -57.9 144.5 -20.9 -34.6 4.3 69 76 A K E -F 38 0B 142 -31,-2.3 -31,-1.8 1,-0.0 2,-0.2 -0.661 30.1-131.0 -81.7 132.7 -19.6 -31.1 3.2 70 77 A T E -F 37 0B 116 -2,-0.4 2,-0.4 -33,-0.2 -33,-0.3 -0.560 22.7-169.5 -85.9 149.7 -21.3 -29.8 0.2 71 78 A V E -F 36 0B 26 -35,-3.1 -35,-2.4 -2,-0.2 2,-0.5 -0.999 10.6-159.3-141.2 136.4 -19.4 -28.4 -2.8 72 79 A K E -F 35 0B 138 -2,-0.4 2,-0.8 -37,-0.2 -37,-0.2 -0.971 4.4-166.7-119.3 117.6 -20.5 -26.4 -5.8 73 80 A I E -F 34 0B 2 -39,-3.6 -39,-2.7 -2,-0.5 2,-0.7 -0.893 6.7-172.3-105.8 103.6 -18.3 -26.4 -8.8 74 81 A T E -F 33 0B 84 -2,-0.8 -41,-0.2 -41,-0.2 2,-0.2 -0.869 11.8-152.3 -99.8 111.1 -19.5 -23.7 -11.2 75 82 A L - 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