==== 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 3QDS . 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) . 13792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 66.9 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 3.5 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 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 0 109 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 158.0 -16.0 -2.7 -19.9 2 2 A Y E -A 45 0A 20 43,-2.0 43,-3.2 45,-0.2 2,-0.4 -0.985 360.0-168.3-121.2 144.5 -16.7 -5.8 -17.8 3 3 A S E -Ab 44 134A 14 130,-2.6 132,-2.6 -2,-0.4 2,-0.4 -0.973 8.4-164.4-128.2 150.1 -19.5 -6.1 -15.3 4 4 A I E -Ab 43 135A 0 39,-2.3 39,-2.7 -2,-0.4 2,-0.5 -0.985 9.4-162.1-129.8 117.5 -20.2 -8.7 -12.7 5 5 A T E -Ab 42 136A 20 130,-2.3 132,-2.6 -2,-0.4 2,-0.4 -0.906 8.9-161.7-105.0 127.1 -23.7 -8.9 -11.2 6 6 A L E -Ab 41 137A 0 35,-3.5 35,-2.2 -2,-0.5 2,-0.4 -0.877 12.2-164.9-113.6 138.0 -24.2 -10.7 -7.9 7 7 A R E - b 0 138A 111 130,-1.8 132,-2.8 -2,-0.4 2,-0.6 -0.986 19.0-142.8-115.7 128.0 -27.3 -12.1 -6.3 8 8 A V E - b 0 139A 46 -2,-0.4 2,-0.4 31,-0.4 132,-0.2 -0.822 16.6-173.6-101.5 119.8 -26.9 -13.0 -2.6 9 9 A F E - b 0 140A 88 130,-3.2 132,-2.9 -2,-0.6 2,-0.5 -0.875 5.1-166.2-109.4 135.1 -28.7 -16.1 -1.3 10 10 A Q E + b 0 141A 62 -2,-0.4 132,-0.2 130,-0.2 130,-0.1 -0.989 9.1 176.7-126.3 121.0 -28.8 -16.9 2.4 11 11 A R + 0 0 140 130,-3.1 131,-0.2 -2,-0.5 -1,-0.1 0.717 56.7 46.0-101.4 -26.5 -29.9 -20.4 3.3 12 12 A N > - 0 0 72 129,-0.4 3,-2.5 4,-0.2 4,-0.2 -0.871 50.1-163.6-136.9 101.1 -29.7 -21.1 7.0 13 13 A P G > S+ 0 0 115 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.738 88.1 73.3 -53.6 -24.2 -30.9 -18.7 9.7 14 14 A G G 3 S+ 0 0 50 1,-0.3 3,-0.1 128,-0.1 128,-0.0 0.723 93.6 55.3 -66.0 -17.3 -28.9 -20.7 12.3 15 15 A R G < S- 0 0 62 -3,-2.5 -1,-0.3 1,-0.3 45,-0.2 0.456 115.4-117.7 -88.2 -1.8 -25.8 -19.0 10.8 16 16 A G < - 0 0 8 -3,-1.9 2,-0.4 -4,-0.2 -1,-0.3 -0.305 33.6 -71.3 87.1-177.6 -27.2 -15.5 11.3 17 17 A F - 0 0 125 -2,-0.1 42,-1.8 -3,-0.1 2,-0.3 -0.960 44.1-145.0-123.0 127.6 -28.0 -13.0 8.6 18 18 A F E +L 58 0B 3 -2,-0.4 2,-0.3 40,-0.2 40,-0.3 -0.710 16.9 178.5 -99.2 146.9 -25.3 -11.2 6.7 19 19 A S E -L 57 0B 66 38,-2.2 38,-2.6 -2,-0.3 2,-0.2 -0.963 37.2 -92.8-138.7 157.1 -25.2 -7.6 5.4 20 20 A I E +L 56 0B 49 -2,-0.3 36,-0.3 36,-0.2 3,-0.1 -0.488 37.3 169.7 -73.0 135.3 -22.6 -5.5 3.5 21 21 A V E + 0 0 66 34,-3.0 2,-0.3 1,-0.4 35,-0.2 0.426 67.1 10.3-120.9 -4.9 -20.2 -3.4 5.6 22 22 A E E -L 55 0B 41 33,-1.2 33,-2.5 66,-0.0 -1,-0.4 -0.949 52.7-166.1-169.3 148.5 -17.7 -2.4 2.9 23 23 A K E -L 54 0B 78 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.927 15.4-177.2-144.0 123.1 -17.2 -2.4 -0.8 24 24 A T E -L 53 0B 20 29,-2.5 29,-1.5 -2,-0.3 2,-0.4 -0.794 14.1-156.5-118.1 159.7 -13.9 -1.7 -2.6 25 25 A V E -L 52 0B 52 -2,-0.3 27,-0.2 27,-0.2 7,-0.1 -0.997 21.5-128.2-133.8 128.7 -12.7 -1.4 -6.1 26 26 A F - 0 0 13 25,-2.8 25,-0.1 -2,-0.4 5,-0.1 -0.429 19.4-124.9 -75.3 155.8 -9.1 -2.0 -7.2 27 27 A H S > S+ 0 0 127 -2,-0.1 3,-0.5 3,-0.1 4,-0.3 0.528 73.3 102.7 -86.5 -9.7 -7.4 0.7 -9.3 28 28 A Y G > S+ 0 0 87 1,-0.2 3,-1.7 2,-0.2 18,-0.3 -0.232 77.2 27.6 -65.7 163.1 -6.2 -1.3 -12.3 29 29 A A G 3 S- 0 0 32 1,-0.3 17,-0.4 20,-0.1 -1,-0.2 0.809 137.8 -57.8 58.1 36.4 -8.0 -1.2 -15.6 30 30 A N G < S- 0 0 157 -3,-0.5 -1,-0.3 16,-0.1 -2,-0.2 0.712 87.1-102.4 65.1 24.2 -9.4 2.3 -15.0 31 31 A G < - 0 0 13 -3,-1.7 15,-2.3 -4,-0.3 2,-0.3 -0.284 41.3-136.0 67.6-148.5 -11.1 1.2 -11.8 32 32 A G E -C 45 0A 27 13,-0.3 2,-0.3 -7,-0.1 13,-0.3 -0.952 5.3-114.5 165.7 176.4 -14.8 0.6 -11.5 33 33 A T E -C 44 0A 91 11,-2.3 11,-2.8 -2,-0.3 2,-0.4 -0.991 12.4-131.4-143.4 146.1 -17.9 1.2 -9.4 34 34 A W E +C 43 0A 33 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.772 29.8 174.7 -93.1 143.6 -20.4 -0.8 -7.4 35 35 A S E -C 42 0A 23 7,-2.2 7,-2.5 -2,-0.4 2,-0.4 -0.941 19.6-138.5-140.8 166.8 -24.2 -0.2 -7.9 36 36 A E E +C 41 0A 94 -2,-0.3 145,-2.5 5,-0.2 2,-0.3 -0.984 23.6 162.1-129.4 138.6 -27.4 -1.7 -6.6 37 37 A A E > -CD 40 180A 34 3,-1.6 3,-2.5 -2,-0.4 143,-0.2 -0.952 68.3 -8.7-155.5 133.8 -30.6 -2.5 -8.5 38 38 A K T 3 S- 0 0 168 141,-2.5 3,-0.1 -2,-0.3 142,-0.1 0.843 128.1 -53.3 47.8 43.0 -33.6 -4.8 -7.6 39 39 A G T 3 S+ 0 0 69 1,-0.3 -31,-0.4 140,-0.3 -1,-0.3 0.516 117.1 108.6 75.4 5.7 -31.7 -6.2 -4.7 40 40 A T E < - C 0 37A 32 -3,-2.5 -3,-1.6 -33,-0.1 2,-0.4 -0.621 60.2-133.8-107.6 171.0 -28.6 -7.2 -6.7 41 41 A H E -AC 6 36A 18 -35,-2.2 -35,-3.5 -5,-0.2 2,-0.5 -0.991 15.8-165.9-128.0 130.2 -25.1 -5.8 -6.8 42 42 A T E -AC 5 35A 23 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.6 -0.974 9.2-158.9-120.5 131.5 -23.1 -5.0 -9.9 43 43 A L E -AC 4 34A 0 -39,-2.7 -39,-2.3 -2,-0.5 2,-0.5 -0.928 13.5-165.8 -99.6 117.0 -19.4 -4.3 -10.2 44 44 A T E -AC 3 33A 49 -11,-2.8 -11,-2.3 -2,-0.6 2,-0.3 -0.939 9.3-170.3-105.5 128.3 -18.7 -2.4 -13.4 45 45 A M E -AC 2 32A 2 -43,-3.2 -43,-2.0 -2,-0.5 -13,-0.3 -0.910 30.8-125.0-125.1 152.8 -15.0 -2.2 -14.3 46 46 A G S S- 0 0 36 -15,-2.3 2,-0.3 -17,-0.4 -14,-0.1 0.459 81.7 -40.4 -76.9 -5.1 -13.1 -0.3 -17.0 47 47 A G S S- 0 0 18 -16,-0.3 3,-0.5 -45,-0.1 -45,-0.2 -0.949 86.0 -43.4 170.1-173.4 -11.5 -3.4 -18.6 48 48 A S S S+ 0 0 29 -2,-0.3 23,-0.2 1,-0.2 -19,-0.1 -0.524 103.8 55.2 -72.9 145.4 -9.9 -6.7 -17.8 49 49 A G S S+ 0 0 21 21,-2.1 2,-0.2 1,-0.4 -1,-0.2 0.523 86.7 81.1 110.9 12.0 -7.4 -6.9 -14.9 50 50 A T - 0 0 0 -3,-0.5 20,-2.0 20,-0.4 -1,-0.4 -0.658 46.6-176.7-132.4-169.4 -9.2 -5.5 -11.9 51 51 A S E - M 0 69B 0 18,-0.2 -25,-2.8 -2,-0.2 2,-0.3 -0.961 14.1-134.7-168.7 175.4 -11.7 -6.5 -9.2 52 52 A G E -LM 25 68B 0 16,-2.3 16,-2.2 -2,-0.3 2,-0.4 -0.963 12.0-140.5-147.3 163.6 -13.7 -5.5 -6.2 53 53 A V E -LM 24 67B 0 -29,-1.5 -29,-2.5 -2,-0.3 2,-0.5 -0.985 2.7-159.7-129.3 134.7 -14.5 -6.9 -2.8 54 54 A L E -LM 23 66B 1 12,-2.7 12,-2.8 -2,-0.4 2,-0.5 -0.964 12.6-157.3-102.6 127.2 -17.6 -7.0 -0.7 55 55 A R E -LM 22 65B 29 -33,-2.5 -34,-3.0 -2,-0.5 -33,-1.2 -0.903 11.6-165.4-102.2 137.5 -17.2 -7.4 3.1 56 56 A F E -LM 20 64B 5 8,-3.0 8,-2.0 -2,-0.5 2,-0.4 -0.901 9.9-163.3-118.0 147.3 -20.1 -8.8 5.0 57 57 A M E -LM 19 63B 75 -38,-2.6 -38,-2.2 -2,-0.3 6,-0.2 -0.994 14.5-141.7-124.7 135.1 -20.9 -9.0 8.7 58 58 A S E > -L 18 0B 4 4,-2.2 3,-2.4 -2,-0.4 -40,-0.2 -0.576 28.1-112.2 -86.5 163.6 -23.5 -11.3 10.2 59 59 A D T 3 S+ 0 0 119 -42,-1.8 -43,-0.1 1,-0.3 -41,-0.1 0.510 121.3 60.7 -71.7 -2.4 -25.7 -10.3 13.0 60 60 A K T 3 S- 0 0 143 -45,-0.2 -1,-0.3 -43,-0.1 -44,-0.1 0.286 124.6-104.5 -99.4 6.8 -23.7 -12.9 15.0 61 61 A G < + 0 0 38 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.449 69.0 147.3 93.4 1.0 -20.5 -10.9 14.4 62 62 A E - 0 0 22 57,-0.0 -4,-2.2 20,-0.0 2,-0.4 -0.519 31.6-155.5 -76.0 139.7 -18.9 -13.0 11.6 63 63 A L E +M 57 0B 17 20,-0.3 20,-1.8 -6,-0.2 2,-0.3 -0.969 21.6 158.6-121.0 128.0 -16.8 -11.1 9.0 64 64 A I E -M 56 0B 0 -8,-2.0 -8,-3.0 -2,-0.4 2,-0.4 -0.975 25.1-141.7-145.5 152.1 -16.1 -12.4 5.6 65 65 A T E -MN 55 80B 0 15,-2.5 15,-2.3 -2,-0.3 2,-0.5 -0.947 2.5-159.5-119.1 145.8 -15.1 -11.0 2.2 66 66 A V E -MN 54 79B 1 -12,-2.8 -12,-2.7 -2,-0.4 2,-0.4 -0.987 13.0-166.8-116.8 122.2 -16.1 -12.0 -1.4 67 67 A A E +MN 53 78B 0 11,-2.7 11,-1.9 -2,-0.5 2,-0.3 -0.926 10.4 171.6-109.6 135.8 -13.8 -10.9 -4.2 68 68 A V E +MN 52 77B 1 -16,-2.2 -16,-2.3 -2,-0.4 2,-0.3 -0.990 14.9 125.8-137.9 147.4 -14.8 -11.0 -7.9 69 69 A G E -MN 51 76B 0 7,-1.7 7,-2.3 -2,-0.3 2,-0.4 -0.953 50.9 -91.3-173.2-168.5 -13.0 -9.7 -10.9 70 70 A V E - N 0 75B 1 -20,-2.0 -21,-2.1 -2,-0.3 2,-0.4 -0.997 28.9-174.1-131.7 128.4 -11.6 -10.4 -14.4 71 71 A H E > S- N 0 74B 33 3,-3.0 3,-1.9 -2,-0.4 -2,-0.0 -0.993 75.7 -15.3-126.0 120.6 -8.0 -11.6 -15.0 72 72 A N T 3 S- 0 0 102 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.908 130.0 -52.4 48.2 46.0 -6.7 -12.0 -18.6 73 73 A Y T 3 S+ 0 0 171 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.453 120.1 101.5 76.4 6.4 -10.3 -11.8 -19.9 74 74 A K E < S-N 71 0B 92 -3,-1.9 -3,-3.0 57,-0.1 -1,-0.2 -0.934 73.7-109.1-123.3 144.5 -11.7 -14.6 -17.6 75 75 A R E -N 70 0B 33 55,-0.4 2,-0.3 -2,-0.4 -5,-0.3 -0.275 34.2-175.6 -66.6 153.8 -13.7 -14.3 -14.4 76 76 A W E -N 69 0B 0 -7,-2.3 -7,-1.7 33,-0.2 2,-0.3 -0.950 3.8-178.1-140.9 164.3 -12.2 -15.0 -11.0 77 77 A C E +N 68 0B 0 28,-0.3 33,-0.3 -2,-0.3 2,-0.3 -0.984 5.5 178.1-155.2 163.3 -13.5 -15.2 -7.4 78 78 A D E -N 67 0B 7 -11,-1.9 -11,-2.7 -2,-0.3 2,-0.4 -0.965 13.8-151.9-159.3 159.0 -12.4 -15.8 -3.9 79 79 A V E -N 66 0B 5 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -0.998 8.8-164.1-134.7 132.3 -13.9 -15.9 -0.4 80 80 A V E -N 65 0B 16 -15,-2.3 -15,-2.5 -2,-0.4 3,-0.2 -0.967 14.2-177.4-117.2 129.9 -11.9 -15.1 2.8 81 81 A T + 0 0 33 -2,-0.5 -17,-0.2 -17,-0.2 35,-0.0 -0.621 53.4 46.4-117.5 175.2 -13.4 -16.1 6.2 82 82 A G S S+ 0 0 46 -19,-0.3 -1,-0.2 -2,-0.2 -18,-0.2 0.790 74.2 176.5 67.5 28.3 -12.5 -15.8 9.8 83 83 A L - 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