==== 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 3QDY . 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 . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 37.3 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 . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 4 4 6 0 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 2 0 0 0 0 0 0 0 1 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 0 106 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 151.6 31.8 32.8 1.1 2 2 A Y E -A 45 0A 29 43,-2.3 43,-4.2 45,-0.2 2,-0.3 -0.957 360.0-171.1-126.2 146.0 32.6 36.0 3.0 3 3 A S E -Ab 44 134A 23 130,-2.5 132,-2.5 -2,-0.4 2,-0.5 -0.995 8.1-161.5-136.1 144.4 31.5 39.6 2.4 4 4 A I E -Ab 43 135A 0 39,-2.4 39,-2.9 -2,-0.3 2,-0.5 -0.979 9.7-159.8-126.1 117.6 32.6 42.9 4.0 5 5 A T E -Ab 42 136A 17 130,-2.6 132,-2.5 -2,-0.5 2,-0.4 -0.860 9.2-160.7-104.2 124.4 30.4 45.9 3.6 6 6 A L E -Ab 41 137A 0 35,-3.5 35,-2.2 -2,-0.5 2,-0.5 -0.875 11.0-164.0-112.1 132.6 31.9 49.4 4.1 7 7 A R E - b 0 138A 111 130,-2.0 132,-3.3 -2,-0.4 2,-0.6 -0.961 18.7-143.7-109.6 127.5 30.2 52.7 4.9 8 8 A V E - b 0 139A 45 -2,-0.5 2,-0.5 31,-0.4 132,-0.2 -0.816 16.5-174.9-100.8 118.6 32.4 55.8 4.2 9 9 A F E - b 0 140A 87 130,-3.5 132,-2.9 -2,-0.6 2,-0.6 -0.948 6.5-167.0-111.7 122.3 32.1 58.8 6.6 10 10 A Q E + b 0 141A 64 -2,-0.5 132,-0.2 130,-0.2 130,-0.1 -0.946 10.2 175.9-110.3 118.8 34.0 62.0 5.8 11 11 A R + 0 0 174 130,-3.1 131,-0.2 -2,-0.6 -1,-0.1 0.774 55.9 48.0 -96.1 -31.5 34.1 64.3 8.8 12 12 A N > - 0 0 72 129,-0.4 3,-2.3 4,-0.1 -1,-0.2 -0.885 48.3-166.4-131.0 103.3 36.2 67.3 8.1 13 13 A P G > S+ 0 0 115 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.727 89.7 72.4 -54.3 -24.6 36.0 69.5 5.0 14 14 A G G 3 S+ 0 0 46 1,-0.3 3,-0.1 -3,-0.1 128,-0.0 0.792 92.6 55.6 -61.0 -27.8 39.3 71.0 6.1 15 15 A R G < S- 0 0 63 -3,-2.3 -1,-0.3 1,-0.3 45,-0.2 0.367 116.6-115.2 -87.1 5.3 41.0 67.8 5.1 16 16 A G < - 0 0 10 -3,-1.7 2,-0.5 -4,-0.1 -1,-0.3 -0.298 36.7 -70.0 84.9-177.1 39.6 67.9 1.6 17 17 A F - 0 0 125 -3,-0.1 42,-1.7 -2,-0.1 2,-0.3 -0.972 45.0-149.4-122.3 126.6 37.1 65.5 -0.0 18 18 A F E +L 58 0B 5 -2,-0.5 2,-0.3 40,-0.2 40,-0.3 -0.666 15.0 177.9 -98.4 145.7 38.1 61.9 -0.9 19 19 A S E -L 57 0B 65 38,-2.0 38,-2.4 -2,-0.3 2,-0.2 -0.970 38.1 -94.0-138.5 158.5 36.8 59.7 -3.7 20 20 A I E +L 56 0B 46 -2,-0.3 36,-0.3 36,-0.2 3,-0.1 -0.498 38.2 169.6 -73.5 133.6 37.7 56.1 -4.8 21 21 A V E + 0 0 64 34,-3.1 2,-0.3 1,-0.4 35,-0.2 0.405 65.6 17.2-121.6 -2.6 40.2 55.9 -7.6 22 22 A E E -L 55 0B 39 33,-1.0 33,-2.2 66,-0.0 -1,-0.4 -0.955 52.2-167.9-168.4 146.8 41.0 52.2 -7.5 23 23 A K E -L 54 0B 77 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.936 15.9-180.0-145.6 119.0 39.6 48.9 -6.3 24 24 A T E -L 53 0B 21 29,-2.4 29,-1.7 -2,-0.3 2,-0.4 -0.839 14.4-157.6-121.1 155.9 41.6 45.6 -6.2 25 25 A V E -L 52 0B 51 -2,-0.3 27,-0.2 27,-0.2 2,-0.1 -0.999 21.6-126.8-132.3 132.4 40.9 42.0 -5.2 26 26 A F - 0 0 12 25,-2.8 25,-0.1 -2,-0.4 5,-0.1 -0.441 19.4-125.4 -79.1 154.7 43.6 39.5 -4.3 27 27 A H S > S+ 0 0 132 -2,-0.1 3,-0.6 4,-0.1 4,-0.3 0.488 74.2 102.1 -86.4 -4.4 43.6 36.1 -6.1 28 28 A Y G > S+ 0 0 84 1,-0.2 3,-1.8 2,-0.2 18,-0.3 -0.202 75.6 28.0 -69.7 168.7 43.5 33.8 -3.0 29 29 A A G 3 S- 0 0 32 1,-0.3 17,-0.3 20,-0.2 -1,-0.2 0.760 138.5 -56.3 51.6 31.5 40.4 32.0 -1.8 30 30 A N G < S- 0 0 158 -3,-0.6 -1,-0.3 16,-0.1 -2,-0.2 0.772 88.7 -97.9 74.5 26.8 38.9 32.0 -5.3 31 31 A G < - 0 0 16 -3,-1.8 15,-1.9 -4,-0.3 16,-0.3 -0.226 44.5-138.0 66.3-150.6 39.1 35.8 -5.7 32 32 A G E -C 45 0A 26 13,-0.2 2,-0.3 -7,-0.1 13,-0.2 -0.969 3.9-115.0 170.8-178.8 36.2 38.1 -5.1 33 33 A T E -C 44 0A 90 11,-2.4 11,-2.8 -2,-0.3 2,-0.3 -1.000 10.3-134.3-148.7 141.0 34.3 41.2 -6.3 34 34 A W E +C 43 0A 35 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.734 28.8 174.5 -88.4 143.5 33.5 44.8 -5.3 35 35 A S E -C 42 0A 21 7,-1.7 7,-3.0 -2,-0.3 2,-0.4 -0.988 21.6-136.5-145.5 153.9 29.9 46.0 -5.6 36 36 A E E +C 41 0A 100 -2,-0.3 145,-2.5 5,-0.2 2,-0.3 -0.920 24.5 165.9-113.3 137.0 28.1 49.2 -4.7 37 37 A A E > -CD 40 180A 30 3,-1.6 3,-2.6 -2,-0.4 143,-0.2 -0.952 68.9 -14.7-148.8 129.6 24.7 49.5 -3.1 38 38 A K T 3 S- 0 0 160 141,-2.5 3,-0.1 -2,-0.3 142,-0.1 0.841 127.2 -51.4 48.3 42.9 23.0 52.4 -1.5 39 39 A G T 3 S+ 0 0 65 1,-0.3 -31,-0.4 140,-0.2 -1,-0.3 0.350 117.4 110.4 82.8 -7.5 26.2 54.4 -1.2 40 40 A T E < - C 0 37A 30 -3,-2.6 -3,-1.6 -33,-0.1 2,-0.4 -0.515 60.5-136.2 -97.1 166.2 28.0 51.5 0.5 41 41 A H E -AC 6 36A 21 -35,-2.2 -35,-3.5 -5,-0.2 2,-0.5 -0.987 16.8-165.5-126.9 124.5 30.8 49.2 -0.9 42 42 A T E -AC 5 35A 20 -7,-3.0 -7,-1.7 -2,-0.4 2,-0.7 -0.931 9.7-157.6-116.3 128.2 30.8 45.5 -0.4 43 43 A L E -AC 4 34A 0 -39,-2.9 -39,-2.4 -2,-0.5 2,-0.5 -0.908 13.6-166.0 -99.4 114.9 33.7 43.1 -1.0 44 44 A T E -AC 3 33A 50 -11,-2.8 -11,-2.4 -2,-0.7 2,-0.3 -0.900 7.6-169.9-104.5 127.8 32.5 39.6 -1.6 45 45 A M E -AC 2 32A 1 -43,-4.2 -43,-2.3 -2,-0.5 -13,-0.2 -0.896 31.1-127.2-124.3 147.1 35.1 36.8 -1.4 46 46 A G S S- 0 0 42 -15,-1.9 2,-0.3 -2,-0.3 -16,-0.1 0.562 83.1 -40.5 -69.7 -9.3 35.0 33.1 -2.3 47 47 A G S > S- 0 0 15 -16,-0.3 3,-0.5 -45,-0.1 2,-0.2 -0.973 85.3 -42.5 170.8-175.5 36.2 32.1 1.1 48 48 A S T 3 S+ 0 0 29 -2,-0.3 23,-0.2 1,-0.2 -19,-0.1 -0.537 103.5 54.7 -73.9 140.2 38.6 32.9 4.0 49 49 A G T 3 S+ 0 0 23 21,-2.2 2,-0.2 1,-0.4 -1,-0.2 0.519 86.9 79.3 117.9 8.9 42.1 33.9 3.1 50 50 A T < - 0 0 0 -3,-0.5 20,-2.0 20,-0.4 -1,-0.4 -0.736 47.9-173.5-132.4-174.2 41.9 36.8 0.6 51 51 A S E - M 0 69B 0 18,-0.2 -25,-2.8 -2,-0.2 2,-0.3 -0.930 12.2-136.5-163.1-179.6 41.3 40.5 0.7 52 52 A G E -LM 25 68B 0 16,-2.4 16,-2.2 -2,-0.3 2,-0.4 -0.978 11.7-140.4-151.4 161.2 40.7 43.7 -1.3 53 53 A V E -LM 24 67B 0 -29,-1.7 -29,-2.4 -2,-0.3 2,-0.5 -0.986 3.0-160.5-132.0 135.0 41.9 47.3 -1.3 54 54 A L E -LM 23 66B 0 12,-2.7 12,-3.0 -2,-0.4 2,-0.5 -0.955 12.6-157.5-106.9 126.4 40.2 50.6 -2.0 55 55 A R E -LM 22 65B 29 -33,-2.2 -34,-3.1 -2,-0.5 -33,-1.0 -0.900 10.2-164.4-102.6 134.4 42.5 53.6 -2.8 56 56 A F E -LM 20 64B 4 8,-3.4 8,-2.1 -2,-0.5 2,-0.4 -0.852 7.9-164.6-114.4 150.2 41.1 57.1 -2.2 57 57 A M E -LM 19 63B 78 -38,-2.4 -38,-2.0 -2,-0.3 6,-0.2 -1.000 13.1-143.1-131.6 134.7 42.3 60.5 -3.5 58 58 A S E > -L 18 0B 3 4,-2.1 3,-2.7 -2,-0.4 -40,-0.2 -0.596 29.2-111.9 -90.9 157.7 41.3 63.8 -2.0 59 59 A D T 3 S+ 0 0 120 -42,-1.7 -43,-0.1 1,-0.3 -41,-0.1 0.371 120.6 62.0 -70.0 8.3 40.7 66.9 -4.1 60 60 A K T 3 S- 0 0 144 -45,-0.2 -1,-0.3 -43,-0.1 -44,-0.1 0.330 123.6-104.5-108.2 1.1 43.8 68.2 -2.3 61 61 A G < + 0 0 39 -3,-2.7 -2,-0.1 1,-0.3 2,-0.1 0.323 69.8 145.9 98.4 -7.1 45.9 65.4 -3.8 62 62 A E - 0 0 26 -5,-0.1 -4,-2.1 20,-0.0 2,-0.4 -0.385 31.9-156.5 -66.9 139.0 46.3 63.1 -0.8 63 63 A L E +M 57 0B 15 20,-0.3 20,-1.8 -6,-0.2 2,-0.3 -0.972 19.7 159.7-124.1 129.7 46.4 59.4 -1.6 64 64 A I E -M 56 0B 0 -8,-2.1 -8,-3.4 -2,-0.4 2,-0.3 -0.991 23.9-142.0-146.6 150.2 45.5 56.6 0.8 65 65 A T E -MN 55 80B 0 15,-2.6 15,-2.0 -2,-0.3 2,-0.5 -0.883 2.7-157.1-114.6 147.9 44.5 52.9 0.7 66 66 A V E -MN 54 79B 1 -12,-3.0 -12,-2.7 -2,-0.3 2,-0.5 -0.988 13.2-165.9-120.3 121.7 42.0 50.9 2.8 67 67 A A E +MN 53 78B 0 11,-2.7 11,-1.9 -2,-0.5 2,-0.3 -0.920 11.2 170.7-110.8 132.0 42.6 47.1 3.0 68 68 A V E +MN 52 77B 0 -16,-2.2 -16,-2.4 -2,-0.5 2,-0.3 -0.991 13.4 128.7-136.3 145.7 40.0 44.7 4.3 69 69 A G E -MN 51 76B 0 7,-1.8 7,-2.3 -2,-0.3 2,-0.4 -0.938 50.1 -93.3-168.5-169.6 39.9 40.9 4.2 70 70 A V E - N 0 75B 1 -20,-2.0 -21,-2.2 -2,-0.3 2,-0.5 -0.991 29.2-172.1-129.8 122.7 39.4 37.7 6.1 71 71 A H E > S- N 0 74B 33 3,-3.0 3,-1.2 -2,-0.4 -23,-0.0 -0.949 74.6 -21.1-120.4 113.4 42.4 35.8 7.6 72 72 A N T 3 S- 0 0 103 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.884 127.9 -50.8 53.9 41.4 41.8 32.3 9.0 73 73 A Y T 3 S+ 0 0 165 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.506 120.2 101.4 81.0 6.9 38.1 33.1 9.5 74 74 A K E < S-N 71 0B 105 -3,-1.2 -3,-3.0 57,-0.1 -1,-0.2 -0.965 74.1-112.1-122.9 141.6 38.6 36.4 11.3 75 75 A R E -N 70 0B 25 55,-0.5 2,-0.3 -2,-0.4 -5,-0.2 -0.299 34.4-175.4 -68.8 150.7 38.3 39.8 9.8 76 76 A W E -N 69 0B 0 -7,-2.3 -7,-1.8 33,-0.1 2,-0.3 -0.950 5.7-179.9-139.1 164.6 41.3 42.1 9.3 77 77 A C E -N 68 0B 0 28,-0.3 33,-0.3 -2,-0.3 2,-0.3 -0.982 4.0-179.3-155.9 164.3 41.9 45.6 8.1 78 78 A D E -N 67 0B 9 -11,-1.9 -11,-2.7 -2,-0.3 2,-0.4 -0.973 13.9-147.6-160.8 157.7 44.7 48.2 7.5 79 79 A V E -N 66 0B 7 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -1.000 7.8-167.2-132.6 131.7 45.2 51.7 6.3 80 80 A V E +N 65 0B 16 -15,-2.0 -15,-2.6 -2,-0.4 3,-0.2 -0.981 14.9 176.9-120.1 123.4 48.2 53.1 4.4 81 81 A T + 0 0 30 -2,-0.5 -17,-0.2 -17,-0.2 35,-0.0 -0.552 51.4 48.6-115.6 179.8 48.6 56.8 4.0 82 82 A G S S+ 0 0 52 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.894 74.2 173.9 56.0 45.5 51.2 59.2 2.5 83 83 A L - 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