==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 19-JAN-11 3QDU . COMPND 2 MOLECULE: BOLETUS EDULIS LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOLETUS EDULIS; . AUTHOR M.BOVI,M.E.CARRIZO,S.CAPALDI,M.PERDUCA,L.R.CHIARELLI,M.GALLI . 568 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 217 38.2 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 . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 58 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 4 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 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 4 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 . 4 0 0 0 8 8 11 1 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 2 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 T 0 0 103 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 149.3 0.3 -106.8 47.9 2 2 A Y E -A 45 0A 24 43,-2.1 43,-3.7 45,-0.2 2,-0.4 -0.975 360.0-170.3-122.2 143.3 -2.9 -104.8 47.8 3 3 A S E -Ab 44 134A 15 130,-3.0 132,-2.5 -2,-0.4 2,-0.4 -0.984 10.2-164.5-132.9 146.6 -3.8 -102.3 45.0 4 4 A I E -Ab 43 135A 0 39,-2.3 39,-2.7 -2,-0.4 2,-0.5 -0.971 9.2-162.3-130.3 115.4 -6.6 -99.7 44.7 5 5 A T E -Ab 42 136A 19 130,-2.4 132,-2.6 -2,-0.4 2,-0.4 -0.870 9.7-158.4-103.6 126.9 -7.2 -98.2 41.3 6 6 A L E -Ab 41 137A 0 35,-3.9 35,-2.3 -2,-0.5 2,-0.5 -0.847 12.3-164.0-110.4 138.0 -9.3 -95.0 41.1 7 7 A R E - b 0 138A 33 130,-1.9 132,-3.3 -2,-0.4 2,-0.7 -0.986 19.3-142.5-114.7 124.2 -11.3 -93.5 38.3 8 8 A V E - b 0 139A 24 -2,-0.5 2,-0.5 31,-0.4 132,-0.2 -0.778 17.9-175.0 -92.8 115.5 -12.1 -89.8 38.7 9 9 A F E - b 0 140A 0 130,-3.4 132,-3.3 -2,-0.7 2,-0.5 -0.942 5.5-168.8-108.5 125.1 -15.6 -88.7 37.5 10 10 A Q E + b 0 141A 15 -2,-0.5 132,-0.2 286,-0.3 288,-0.1 -0.958 9.0 174.8-115.6 117.3 -16.5 -85.1 37.7 11 11 A R + 0 0 87 130,-3.0 131,-0.2 -2,-0.5 286,-0.1 0.693 58.1 48.8 -99.0 -23.7 -20.2 -84.5 37.0 12 12 A N > - 0 0 66 129,-0.4 3,-2.5 4,-0.2 -1,-0.2 -0.860 48.5-169.2-134.0 101.2 -21.0 -80.8 37.5 13 13 A P G > S+ 0 0 27 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.756 86.9 74.5 -54.3 -28.2 -19.0 -78.0 36.0 14 14 A G G 3 S+ 0 0 51 1,-0.3 3,-0.1 128,-0.0 128,-0.0 0.705 92.6 54.9 -58.9 -19.5 -20.9 -75.6 38.2 15 15 A R G < S- 0 0 92 -3,-2.5 -1,-0.3 1,-0.3 45,-0.2 0.356 116.4-118.3 -94.7 4.6 -18.8 -76.9 41.1 16 16 A G < - 0 0 2 -3,-2.5 2,-0.5 -4,-0.1 -1,-0.3 -0.222 36.4 -65.9 81.6-177.9 -15.6 -76.1 39.2 17 17 A F - 0 0 16 -3,-0.1 42,-1.6 -2,-0.1 2,-0.3 -0.940 44.9-146.9-117.1 127.3 -12.9 -78.5 38.0 18 18 A F E +L 58 0B 3 -2,-0.5 2,-0.3 40,-0.3 40,-0.3 -0.680 15.5 179.9 -95.9 143.9 -10.7 -80.5 40.5 19 19 A S E -L 57 0B 21 38,-2.0 38,-2.5 -2,-0.3 2,-0.2 -0.973 36.6 -97.7-136.0 154.0 -7.1 -81.5 40.0 20 20 A I E +L 56 0B 31 -2,-0.3 36,-0.3 36,-0.2 3,-0.1 -0.514 37.5 170.9 -71.5 131.4 -4.8 -83.5 42.3 21 21 A V E + 0 0 2 34,-3.2 442,-2.5 1,-0.3 2,-0.3 0.462 65.2 17.9-116.8 -6.4 -2.4 -81.3 44.3 22 22 A E E -L 55 0B 0 33,-1.1 33,-2.4 440,-0.1 2,-0.4 -0.953 52.1-164.9-166.6 141.6 -0.9 -83.9 46.7 23 23 A K E +LM 54 452B 6 429,-2.5 429,-2.9 -2,-0.3 2,-0.3 -0.930 18.0 179.7-136.1 111.3 -0.4 -87.7 47.0 24 24 A T E -L 53 0B 0 29,-2.6 29,-1.3 -2,-0.4 2,-0.4 -0.725 13.4-160.1-110.0 158.3 0.6 -89.3 50.3 25 25 A V E -L 52 0B 0 -2,-0.3 494,-0.4 27,-0.2 27,-0.3 -0.969 20.3-128.6-137.0 125.3 1.2 -92.8 51.5 26 26 A F - 0 0 6 25,-2.8 25,-0.2 -2,-0.4 492,-0.1 -0.376 19.9-125.5 -72.6 150.9 1.2 -94.0 55.1 27 27 A H S > S+ 0 0 68 4,-0.1 4,-0.6 3,-0.1 3,-0.5 0.580 72.2 107.1 -79.6 -12.5 4.2 -96.0 56.3 28 28 A Y T >4 S+ 0 0 83 1,-0.2 3,-1.6 2,-0.2 18,-0.3 -0.161 76.8 22.8 -62.1 161.1 2.5 -99.1 57.7 29 29 A A T 34 S- 0 0 34 1,-0.3 17,-0.4 20,-0.1 -1,-0.2 0.846 138.9 -54.6 50.9 42.8 2.7 -102.4 55.8 30 30 A N T 34 S- 0 0 96 -3,-0.5 -1,-0.3 16,-0.1 -2,-0.2 0.737 87.5-107.0 66.0 23.0 5.9 -101.5 54.0 31 31 A G << - 0 0 0 -3,-1.6 15,-2.3 -4,-0.6 16,-0.3 -0.265 41.4-136.9 62.9-140.3 4.2 -98.4 52.6 32 32 A G E -C 45 0A 10 482,-0.6 2,-0.3 13,-0.3 13,-0.3 -0.956 6.5-102.8 163.9-178.2 3.3 -98.2 49.0 33 33 A T E -C 44 0A 22 11,-2.5 11,-3.0 -2,-0.3 2,-0.4 -0.971 11.6-134.6-140.0 146.6 3.2 -96.1 45.8 34 34 A W E +C 43 0A 0 416,-2.4 2,-0.3 -2,-0.3 9,-0.2 -0.840 31.2 173.4 -95.5 137.3 0.9 -94.0 43.6 35 35 A S E -C 42 0A 17 7,-2.2 7,-2.3 -2,-0.4 2,-0.4 -0.925 21.4-137.1-137.0 163.9 1.1 -94.5 39.9 36 36 A E E +C 41 0A 76 -2,-0.3 145,-2.7 5,-0.2 2,-0.3 -0.971 25.1 160.8-124.7 141.2 -0.8 -93.3 36.9 37 37 A A E > -CD 40 180A 33 3,-1.6 3,-2.2 -2,-0.4 143,-0.2 -0.907 68.9 -9.9-158.8 129.0 -2.0 -95.2 33.8 38 38 A K T 3 S- 0 0 111 141,-2.4 3,-0.1 -2,-0.3 142,-0.1 0.845 127.2 -54.1 51.3 40.1 -4.7 -94.5 31.2 39 39 A G T 3 S+ 0 0 44 1,-0.3 -31,-0.4 140,-0.2 -1,-0.3 0.529 115.9 112.1 76.2 5.8 -6.0 -91.6 33.2 40 40 A T E < - C 0 37A 22 -3,-2.2 -3,-1.6 -33,-0.1 2,-0.5 -0.674 60.1-133.7-107.4 166.0 -6.5 -93.6 36.4 41 41 A H E -AC 6 36A 22 -35,-2.3 -35,-3.9 -2,-0.2 2,-0.5 -0.974 18.1-169.2-124.4 123.9 -4.7 -93.6 39.7 42 42 A T E -AC 5 35A 21 -7,-2.3 -7,-2.2 -2,-0.5 2,-0.6 -0.942 10.5-159.4-117.6 128.2 -3.5 -96.7 41.5 43 43 A L E -AC 4 34A 0 -39,-2.7 -39,-2.3 -2,-0.5 2,-0.5 -0.927 12.6-163.9 -98.9 118.7 -2.2 -97.0 45.0 44 44 A T E -AC 3 33A 46 -11,-3.0 -11,-2.5 -2,-0.6 2,-0.3 -0.921 8.5-167.1-105.5 124.9 -0.1 -100.1 45.5 45 45 A M E -AC 2 32A 1 -43,-3.7 -43,-2.1 -2,-0.5 -13,-0.3 -0.849 28.8-129.2-117.5 148.2 0.5 -101.1 49.1 46 46 A G S S- 0 0 40 -15,-2.3 2,-0.3 -17,-0.4 -14,-0.1 0.510 82.4 -39.5 -74.2 -4.7 2.9 -103.6 50.6 47 47 A G S > S- 0 0 16 -16,-0.3 3,-0.6 -45,-0.2 2,-0.2 -0.974 84.7 -44.6 170.0-174.8 0.2 -105.3 52.5 48 48 A S T 3 S+ 0 0 30 -2,-0.3 23,-0.2 1,-0.2 -19,-0.1 -0.577 104.0 55.1 -76.1 141.8 -3.0 -104.8 54.6 49 49 A G T 3 S+ 0 0 21 21,-2.3 -1,-0.2 1,-0.4 2,-0.2 0.412 89.4 77.0 118.8 0.6 -2.9 -102.1 57.2 50 50 A T < - 0 0 0 -3,-0.6 20,-1.9 20,-0.3 -1,-0.4 -0.585 47.9-177.3-127.7-168.0 -1.9 -98.9 55.3 51 51 A S E - N 0 69B 0 18,-0.2 -25,-2.8 -25,-0.2 2,-0.3 -0.979 15.9-129.6-174.1 175.0 -3.4 -96.3 52.9 52 52 A G E -LN 25 68B 0 16,-2.4 16,-2.2 -2,-0.3 2,-0.4 -0.968 13.6-142.6-142.4 158.1 -2.8 -93.2 50.8 53 53 A V E -LN 24 67B 0 -29,-1.3 -29,-2.6 -2,-0.3 2,-0.5 -0.978 2.7-159.9-126.3 136.5 -4.5 -89.8 50.4 54 54 A L E -LN 23 66B 2 12,-2.7 12,-2.7 -2,-0.4 2,-0.5 -0.971 12.2-154.8-108.4 124.8 -5.1 -87.7 47.3 55 55 A R E -LN 22 65B 1 -33,-2.4 -34,-3.2 -2,-0.5 -33,-1.1 -0.868 12.0-162.5 -97.5 132.0 -5.8 -84.0 47.9 56 56 A F E -LN 20 64B 4 8,-3.4 8,-2.2 -2,-0.5 2,-0.4 -0.860 9.4-167.7-111.1 147.2 -7.8 -82.2 45.3 57 57 A M E -LN 19 63B 52 -38,-2.5 -38,-2.0 -2,-0.3 6,-0.2 -0.996 14.5-143.4-130.9 130.1 -8.2 -78.5 44.6 58 58 A S E > -L 18 0B 2 4,-2.0 3,-2.1 -2,-0.4 -40,-0.3 -0.476 29.2-111.5 -83.0 161.5 -10.8 -77.1 42.3 59 59 A D T 3 S+ 0 0 91 -42,-1.6 -43,-0.1 1,-0.3 -41,-0.1 0.466 121.5 62.7 -72.6 0.8 -10.2 -74.1 40.0 60 60 A K T 3 S- 0 0 149 -45,-0.2 -1,-0.3 -43,-0.1 -44,-0.1 0.465 123.7-106.4 -97.0 -7.9 -12.6 -72.4 42.3 61 61 A G < + 0 0 48 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.407 67.6 147.4 102.0 -1.1 -10.2 -72.9 45.3 62 62 A E - 0 0 27 20,-0.0 -4,-2.0 1,-0.0 2,-0.4 -0.476 32.3-153.8 -70.2 134.9 -12.0 -75.7 47.2 63 63 A L E +N 57 0B 15 20,-0.4 20,-1.7 -6,-0.2 2,-0.3 -0.939 22.7 157.4-114.2 131.2 -9.7 -78.2 49.0 64 64 A I E -N 56 0B 0 -8,-2.2 -8,-3.4 -2,-0.4 2,-0.4 -0.993 26.1-138.4-149.1 153.0 -10.7 -81.8 49.8 65 65 A T E -NO 55 80B 0 15,-2.8 15,-1.9 -2,-0.3 2,-0.5 -0.899 3.1-159.7-116.6 146.8 -9.0 -85.1 50.5 66 66 A V E -NO 54 79B 2 -12,-2.7 -12,-2.7 -2,-0.4 2,-0.4 -0.989 13.6-167.9-120.8 120.5 -9.8 -88.7 49.4 67 67 A A E +NO 53 78B 0 11,-2.7 11,-1.8 -2,-0.5 2,-0.3 -0.915 9.8 171.6-111.4 134.0 -8.4 -91.5 51.5 68 68 A V E +NO 52 77B 1 -16,-2.2 -16,-2.4 -2,-0.4 2,-0.3 -0.993 14.6 125.4-138.6 145.8 -8.3 -95.1 50.5 69 69 A G E -NO 51 76B 0 7,-1.8 7,-2.2 -2,-0.3 2,-0.4 -0.939 51.1 -90.0-170.9-167.7 -6.7 -98.1 52.1 70 70 A V E - O 0 75B 1 -20,-1.9 -21,-2.3 -2,-0.3 2,-0.5 -0.991 29.9-175.2-131.3 122.9 -7.0 -101.6 53.4 71 71 A H E > S- O 0 74B 29 3,-3.3 3,-1.4 -2,-0.4 -2,-0.0 -0.979 75.4 -14.3-120.7 124.5 -7.8 -102.4 57.1 72 72 A N T 3 S- 0 0 101 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.933 129.6 -53.0 46.8 51.4 -7.8 -105.9 58.3 73 73 A Y T 3 S+ 0 0 170 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.615 120.7 103.7 65.6 15.7 -7.9 -107.2 54.7 74 74 A K E < S-O 71 0B 103 -3,-1.4 -3,-3.3 57,-0.1 -1,-0.2 -0.986 73.6-111.8-129.5 141.2 -10.9 -105.1 53.8 75 75 A R E -O 70 0B 32 55,-0.4 2,-0.3 -2,-0.4 -5,-0.3 -0.305 34.6-176.1 -68.5 149.2 -11.0 -101.9 51.8 76 76 A W E -O 69 0B 0 -7,-2.2 -7,-1.8 33,-0.2 2,-0.3 -0.945 4.6-176.7-138.6 164.8 -11.9 -98.6 53.4 77 77 A C E -O 68 0B 0 28,-0.3 2,-0.3 -2,-0.3 33,-0.3 -0.990 4.7-179.8-158.1 159.9 -12.4 -95.0 52.3 78 78 A D E -O 67 0B 8 -11,-1.8 -11,-2.7 -2,-0.3 2,-0.4 -0.983 13.6-150.0-158.8 152.3 -13.1 -91.5 53.5 79 79 A V E -O 66 0B 7 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -0.999 8.3-167.9-129.7 130.1 -13.6 -88.0 52.2 80 80 A V E -O 65 0B 16 -15,-1.9 -15,-2.8 -2,-0.4 3,-0.2 -0.981 14.0-179.2-117.3 127.2 -12.7 -84.8 54.1 81 81 A T + 0 0 34 -2,-0.5 -17,-0.2 -17,-0.2 35,-0.0 -0.582 53.4 46.2-115.2 178.1 -14.0 -81.5 52.8 82 82 A G S S+ 0 0 45 -19,-0.3 -1,-0.2 -2,-0.2 -18,-0.2 0.839 74.4 172.8 58.3 35.7 -13.7 -77.8 53.7 83 83 A L - 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