==== 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 1XXR . 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) . 23523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 69.6 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 . 295 47.9 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 . 66 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.0 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+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 4 8 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 0 131 0, 0.0 2,-0.3 0, 0.0 285,-0.3 0.000 360.0 360.0 360.0 141.8 -28.5 -49.0 -41.5 2 9 A Q + 0 0 34 283,-1.1 3,-0.1 285,-0.1 307,-0.0 -0.592 360.0 164.9 -78.3 132.0 -30.6 -47.2 -38.9 3 10 A T + 0 0 118 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.377 59.3 49.2-127.0 0.5 -33.0 -49.4 -37.0 4 11 A T - 0 0 47 2,-0.1 230,-0.1 1,-0.0 -1,-0.1 -0.970 66.3-136.9-140.4 155.3 -34.0 -47.2 -34.0 5 12 A G S S+ 0 0 2 228,-1.2 2,-0.5 -2,-0.3 181,-0.3 0.477 79.6 88.8 -91.2 -1.9 -35.2 -43.6 -33.5 6 13 A T S S- 0 0 48 227,-0.1 179,-0.2 179,-0.1 -2,-0.1 -0.852 71.0-137.9-101.9 126.4 -33.0 -42.8 -30.6 7 14 A S - 0 0 15 177,-2.7 2,-0.3 -2,-0.5 302,-0.1 -0.208 21.6-144.6 -72.2 169.6 -29.5 -41.4 -31.2 8 15 A Q - 0 0 83 588,-0.0 2,-0.3 0, 0.0 301,-0.2 -0.861 12.8-158.0-136.0 168.9 -26.5 -42.6 -29.2 9 16 A T - 0 0 19 -2,-0.3 144,-0.2 300,-0.1 2,-0.1 -0.945 38.9 -89.1-140.7 159.3 -23.2 -41.6 -27.6 10 17 A I E -A 152 0A 2 142,-1.3 142,-3.2 -2,-0.3 2,-0.4 -0.454 44.1-158.5 -67.1 141.8 -20.0 -43.4 -26.6 11 18 A E E -AB 151 596A 26 585,-2.4 584,-2.8 140,-0.2 585,-2.0 -0.987 10.4-174.4-132.1 126.0 -20.2 -44.7 -23.0 12 19 A V E -AB 150 594A 0 138,-2.5 138,-2.5 -2,-0.4 582,-0.3 -0.881 35.5 -6.2-118.3 150.6 -17.3 -45.5 -20.7 13 20 A G E - 0 0 3 580,-2.9 136,-0.2 -2,-0.3 2,-0.1 -0.693 18.0-153.9 112.1-169.0 -17.4 -47.1 -17.3 14 21 A L E - 0 0 51 134,-0.4 2,-0.4 -2,-0.2 -1,-0.3 0.511 32.2-178.6 -86.1 157.7 -18.7 -48.0 -14.9 15 22 A W E +A 148 0A 11 133,-2.4 133,-2.2 -3,-0.2 2,-0.3 -0.956 52.6 33.0-112.5 132.4 -16.0 -47.6 -12.3 16 23 A G E S-A 147 0A 32 -2,-0.4 131,-0.3 131,-0.2 85,-0.2 -0.853 93.2 -35.0 124.5-159.9 -16.9 -48.7 -8.8 17 24 A G - 0 0 8 129,-2.4 85,-0.1 83,-0.6 -3,-0.1 -0.447 43.1-114.8-102.4 175.0 -19.1 -51.4 -7.3 18 25 A P S S+ 0 0 82 0, 0.0 4,-0.1 0, 0.0 129,-0.1 0.377 78.7 108.3 -85.7 0.8 -22.4 -53.2 -8.1 19 26 A G + 0 0 24 81,-0.4 127,-0.1 127,-0.1 128,-0.1 -0.055 58.6 27.3 -73.9 178.9 -24.3 -51.9 -5.1 20 27 A G S S- 0 0 33 120,-0.1 2,-0.4 126,-0.1 122,-0.3 -0.124 99.5 -51.8 66.7-165.4 -27.0 -49.3 -4.9 21 28 A N E -C 141 0A 126 120,-3.0 120,-2.5 1,-0.0 125,-0.1 -0.924 55.0-113.5-114.6 136.0 -29.5 -48.5 -7.7 22 29 A A E +C 140 0A 73 -2,-0.4 2,-0.3 118,-0.3 118,-0.3 -0.319 36.1 175.9 -67.3 142.6 -28.5 -47.7 -11.3 23 30 A W E -C 139 0A 29 116,-2.9 116,-2.9 -2,-0.0 2,-0.3 -0.976 13.7-173.5-144.5 155.7 -29.1 -44.3 -12.8 24 31 A D E -C 138 0A 75 -2,-0.3 114,-0.2 114,-0.3 3,-0.1 -0.856 12.4-164.0-155.1 112.7 -28.3 -42.5 -16.1 25 32 A D - 0 0 5 112,-2.3 2,-0.2 -2,-0.3 113,-0.1 0.719 40.3-136.6 -70.0 -22.1 -28.9 -38.8 -16.8 26 33 A G - 0 0 7 111,-0.5 2,-0.3 32,-0.0 -1,-0.3 -0.585 34.2 -52.7 95.0-162.4 -28.6 -39.4 -20.5 27 34 A S + 0 0 18 -2,-0.2 109,-0.2 109,-0.1 2,-0.2 -0.881 50.3 163.7-122.5 152.3 -26.7 -37.0 -22.8 28 35 A Y - 0 0 19 107,-2.6 23,-0.2 -2,-0.3 3,-0.1 -0.454 51.3 -85.0-137.0-153.1 -26.6 -33.3 -23.4 29 36 A T S S- 0 0 2 21,-2.4 133,-2.6 1,-0.3 2,-0.3 0.449 91.3 -38.7-107.8 -0.7 -24.4 -30.7 -25.1 30 37 A G E -E 50 0B 1 20,-0.9 20,-2.2 105,-0.3 2,-0.5 -0.979 61.7 -79.6 166.2-177.1 -22.1 -29.9 -22.1 31 38 A I E +E 49 0B 14 129,-0.3 18,-0.2 -2,-0.3 3,-0.1 -0.966 31.5 165.9-121.1 127.3 -21.7 -29.4 -18.4 32 39 A R E + 0 0 61 16,-2.4 43,-2.1 -2,-0.5 2,-0.3 0.800 67.6 3.1-103.8 -42.1 -22.5 -26.2 -16.5 33 40 A E E -EF 48 74B 28 15,-2.3 15,-3.4 41,-0.2 2,-0.4 -1.000 51.0-156.9-152.7 146.5 -22.5 -27.2 -12.9 34 41 A I E -EF 47 73B 1 39,-2.4 39,-3.3 -2,-0.3 2,-0.5 -0.989 8.8-169.2-125.5 128.1 -21.8 -30.1 -10.6 35 42 A N E +EF 46 72B 42 11,-3.4 11,-2.9 -2,-0.4 2,-0.3 -0.974 21.0 153.1-119.6 122.0 -23.2 -30.4 -7.1 36 43 A L E -EF 45 71B 4 35,-2.2 35,-3.3 -2,-0.5 2,-0.3 -0.874 30.6-143.5-140.0 170.9 -21.9 -33.2 -4.8 37 44 A S E - F 0 70B 8 7,-1.6 6,-2.7 -2,-0.3 2,-0.3 -0.972 21.4-174.9-135.3 149.3 -21.4 -34.0 -1.1 38 45 A H E +EF 42 69B 36 31,-2.0 31,-2.5 -2,-0.3 4,-0.2 -0.997 25.1 136.6-150.2 154.5 -18.5 -35.8 0.5 39 46 A G S S- 0 0 21 2,-2.3 3,-0.1 -2,-0.3 79,-0.0 -0.147 93.9 -11.0-152.6-105.6 -17.2 -37.3 3.7 40 47 A D S S- 0 0 43 78,-0.1 2,-0.3 -2,-0.1 79,-0.2 0.384 142.5 -1.8 -88.7 5.0 -15.6 -40.7 3.8 41 48 A A S S- 0 0 0 77,-0.1 -2,-2.3 79,-0.0 2,-0.6 -0.930 98.3 -67.8-169.6-176.1 -16.9 -41.1 0.3 42 49 A I E +E 38 0B 0 60,-2.2 103,-3.2 103,-0.3 -4,-0.3 -0.830 50.6 169.9 -92.7 123.2 -19.0 -39.3 -2.4 43 50 A G E + 0 0 0 -6,-2.7 2,-0.2 -2,-0.6 -1,-0.2 0.869 55.3 29.0 -95.2 -80.3 -22.6 -39.0 -1.2 44 51 A A E + 0 0 20 21,-0.2 -7,-1.6 19,-0.1 2,-0.3 -0.536 59.7 178.1 -85.1 150.7 -24.7 -36.7 -3.4 45 52 A F E +E 36 0B 0 16,-1.8 2,-0.3 -9,-0.2 -9,-0.2 -0.830 10.5 153.6-156.5 112.7 -24.1 -36.1 -7.1 46 53 A S E -E 35 0B 21 -11,-2.9 -11,-3.4 -2,-0.3 2,-0.4 -0.984 21.5-153.4-140.0 149.3 -26.2 -33.9 -9.3 47 54 A V E -E 34 0B 2 12,-0.5 11,-2.4 -2,-0.3 2,-0.7 -0.948 14.3-148.9-130.5 144.8 -25.4 -32.0 -12.5 48 55 A I E -EG 33 57B 39 -15,-3.4 -16,-2.4 -2,-0.4 -15,-2.3 -0.953 32.7-163.8-108.0 111.4 -26.7 -29.0 -14.3 49 56 A Y E -EG 31 56B 0 7,-2.7 7,-2.9 -2,-0.7 2,-0.4 -0.410 18.6-118.5 -91.6 168.4 -26.1 -29.6 -18.0 50 57 A D E -EG 30 55B 0 -20,-2.2 -21,-2.4 5,-0.2 -20,-0.9 -0.890 23.1-169.6-104.0 139.7 -26.1 -27.4 -21.0 51 58 A L E > S- G 0 54B 9 3,-2.9 3,-1.2 -2,-0.4 132,-0.0 -0.860 71.8 -40.9-132.7 95.2 -28.6 -28.1 -23.6 52 59 A N T 3 S- 0 0 48 -2,-0.4 127,-0.1 1,-0.3 109,-0.0 0.859 125.1 -36.7 54.5 43.6 -27.9 -26.1 -26.8 53 60 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.3 128,-0.0 128,-0.0 0.359 124.4 88.1 96.2 -7.5 -27.0 -22.9 -24.9 54 61 A Q E < S-G 51 0B 138 -3,-1.2 -3,-2.9 2,-0.0 -1,-0.2 -0.965 80.3-108.4-124.9 142.3 -29.5 -23.2 -22.0 55 62 A P E -G 50 0B 76 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.322 28.4-164.1 -67.7 151.3 -29.0 -24.9 -18.7 56 63 A F E -G 49 0B 63 -7,-2.9 -7,-2.7 -2,-0.0 2,-0.6 -0.974 17.7-132.2-137.5 120.6 -30.9 -28.2 -18.1 57 64 A T E -G 48 0B 101 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.617 25.4-146.1 -76.8 118.3 -31.2 -29.6 -14.6 58 65 A G - 0 0 5 -11,-2.4 -32,-0.0 -2,-0.6 -33,-0.0 -0.280 34.4 -73.4 -78.7 168.3 -30.3 -33.2 -14.6 59 66 A P - 0 0 65 0, 0.0 -12,-0.5 0, 0.0 2,-0.2 -0.286 55.5-115.8 -58.8 146.3 -32.0 -35.9 -12.3 60 67 A T - 0 0 99 -14,-0.1 -14,-0.2 -3,-0.1 3,-0.1 -0.565 25.6-173.2 -87.5 151.4 -30.8 -35.6 -8.7 61 68 A H + 0 0 20 -16,-0.2 -16,-1.8 -2,-0.2 81,-0.1 -0.555 16.5 163.8-140.9 66.7 -28.9 -38.4 -7.0 62 69 A P > - 0 0 79 0, 0.0 3,-0.5 0, 0.0 -16,-0.1 0.647 23.9-163.4 -62.3 -20.0 -28.7 -37.1 -3.3 63 70 A G T 3 - 0 0 25 1,-0.2 80,-0.2 -18,-0.1 81,-0.2 -0.318 35.2 -83.4 62.8-152.9 -27.7 -40.5 -1.8 64 71 A N T 3 S+ 0 0 90 79,-3.1 -1,-0.2 1,-0.1 80,-0.1 -0.297 83.0 113.5-153.6 63.8 -28.3 -40.6 1.9 65 72 A E X + 0 0 34 -3,-0.5 3,-1.5 1,-0.1 -21,-0.2 -0.752 30.9 178.8-134.2 83.4 -25.5 -39.1 4.0 66 73 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.648 79.8 61.6 -61.5 -14.6 -26.8 -35.9 5.8 67 74 A S T 3 S+ 0 0 113 2,-0.1 -29,-0.1 -3,-0.1 -2,-0.0 0.692 80.1 105.8 -86.0 -20.3 -23.5 -35.4 7.5 68 75 A F S < S- 0 0 24 -3,-1.5 2,-0.4 1,-0.1 -29,-0.2 -0.204 76.2-112.3 -61.1 151.0 -21.5 -35.0 4.2 69 76 A K E -F 38 0B 149 -31,-2.5 -31,-2.0 1,-0.0 2,-0.2 -0.720 30.6-131.3 -86.6 130.3 -20.2 -31.6 3.2 70 77 A T E -F 37 0B 115 -2,-0.4 2,-0.4 -33,-0.2 -33,-0.3 -0.533 22.0-168.3 -83.0 148.6 -21.9 -30.1 0.1 71 78 A V E -F 36 0B 26 -35,-3.3 -35,-2.2 -2,-0.2 2,-0.5 -0.999 10.0-157.5-138.2 138.7 -19.8 -28.7 -2.8 72 79 A K E -F 35 0B 124 -2,-0.4 2,-0.8 -37,-0.2 -37,-0.2 -0.965 4.3-168.6-120.4 116.6 -20.9 -26.6 -5.8 73 80 A I E -F 34 0B 3 -39,-3.3 -39,-2.4 -2,-0.5 2,-0.7 -0.881 6.6-173.4-106.3 101.6 -18.6 -26.6 -8.8 74 81 A T E -F 33 0B 84 -2,-0.8 -41,-0.2 -41,-0.2 2,-0.2 -0.856 12.9-151.6 -98.3 111.3 -19.8 -23.9 -11.2 75 82 A L - 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