==== 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 3QDV . 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) . 14060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 65.8 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 . 16 5.6 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 0 102 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 154.1 -16.1 -2.8 -19.9 2 2 A Y E -A 45 0A 23 43,-2.0 43,-3.3 45,-0.2 2,-0.4 -0.985 360.0-168.0-120.4 143.1 -16.8 -5.8 -17.8 3 3 A S E -Ab 44 134A 14 130,-2.8 132,-2.6 -2,-0.4 2,-0.4 -0.969 8.5-164.6-126.5 149.4 -19.6 -6.2 -15.3 4 4 A I E -Ab 43 135A 0 39,-2.3 39,-2.7 -2,-0.4 2,-0.5 -0.982 9.2-162.0-130.0 118.5 -20.3 -8.8 -12.6 5 5 A T E -Ab 42 136A 20 130,-2.3 132,-2.6 -2,-0.4 2,-0.4 -0.898 8.9-160.5-106.0 127.6 -23.8 -8.9 -11.2 6 6 A L E -Ab 41 137A 0 35,-3.6 35,-2.2 -2,-0.5 2,-0.4 -0.887 11.6-165.1-113.0 137.2 -24.2 -10.7 -7.9 7 7 A R E - b 0 138A 110 130,-1.7 132,-2.9 -2,-0.4 2,-0.6 -0.988 18.9-142.8-116.8 129.5 -27.3 -12.1 -6.2 8 8 A V E - b 0 139A 46 -2,-0.4 2,-0.4 31,-0.4 132,-0.2 -0.830 16.7-173.8-101.9 120.2 -27.0 -13.0 -2.5 9 9 A F E - b 0 140A 86 130,-3.1 132,-2.7 -2,-0.6 2,-0.5 -0.903 5.5-165.6-110.1 133.8 -28.8 -16.1 -1.3 10 10 A Q E + b 0 141A 67 -2,-0.4 132,-0.2 130,-0.2 130,-0.1 -0.988 9.6 176.4-124.4 121.4 -28.9 -16.9 2.5 11 11 A R + 0 0 177 130,-3.3 131,-0.2 -2,-0.5 -1,-0.1 0.720 57.4 45.4 -99.7 -26.7 -29.9 -20.4 3.3 12 12 A N > - 0 0 59 129,-0.4 3,-2.4 4,-0.2 -1,-0.2 -0.886 50.5-163.8-138.0 99.7 -29.7 -21.1 7.0 13 13 A P G > S+ 0 0 116 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.727 87.5 75.0 -53.7 -23.5 -31.0 -18.7 9.7 14 14 A G G 3 S+ 0 0 53 1,-0.3 3,-0.1 2,-0.0 128,-0.0 0.726 92.3 54.4 -63.6 -19.3 -28.9 -20.7 12.2 15 15 A R G < S- 0 0 90 -3,-2.4 -1,-0.3 1,-0.3 45,-0.2 0.436 115.4-117.9 -88.4 -1.0 -25.8 -19.0 10.8 16 16 A G < - 0 0 9 -3,-1.9 2,-0.4 -4,-0.2 -1,-0.3 -0.327 35.1 -68.8 84.2-176.2 -27.3 -15.5 11.3 17 17 A F - 0 0 125 -2,-0.1 42,-1.7 -3,-0.1 2,-0.3 -0.962 43.9-144.5-123.5 128.7 -28.0 -13.0 8.7 18 18 A F E +L 58 0B 5 -2,-0.4 2,-0.3 40,-0.2 40,-0.3 -0.693 17.1 178.2 -98.7 143.8 -25.3 -11.2 6.7 19 19 A S E -L 57 0B 66 38,-2.3 38,-2.6 -2,-0.3 2,-0.2 -0.959 37.4 -93.2-136.1 158.4 -25.3 -7.6 5.4 20 20 A I E +L 56 0B 50 -2,-0.3 36,-0.3 36,-0.2 3,-0.1 -0.483 37.8 169.1 -72.5 134.7 -22.7 -5.5 3.5 21 21 A V E + 0 0 66 34,-3.1 2,-0.3 1,-0.4 35,-0.2 0.423 66.9 12.0-121.6 -4.3 -20.3 -3.4 5.6 22 22 A E E -L 55 0B 39 33,-1.1 33,-2.5 66,-0.0 -1,-0.4 -0.945 52.5-166.1-170.3 145.7 -17.8 -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 -0.938 16.0-178.4-141.7 121.6 -17.3 -2.4 -0.8 24 24 A T E -L 53 0B 24 29,-2.5 29,-1.4 -2,-0.3 2,-0.4 -0.804 13.8-157.6-117.9 158.9 -14.0 -1.7 -2.5 25 25 A V E -L 52 0B 52 -2,-0.3 27,-0.2 27,-0.2 7,-0.1 -0.995 21.3-127.8-134.7 129.9 -12.7 -1.5 -6.1 26 26 A F - 0 0 13 25,-2.8 25,-0.1 -2,-0.4 5,-0.1 -0.418 19.3-124.8 -76.7 155.8 -9.1 -2.0 -7.1 27 27 A H S S+ 0 0 130 -2,-0.1 3,-0.5 4,-0.1 4,-0.3 0.513 73.5 102.2 -87.5 -8.6 -7.5 0.7 -9.2 28 28 A Y S > S+ 0 0 88 1,-0.2 3,-1.7 2,-0.2 18,-0.3 -0.253 77.4 27.8 -65.5 163.5 -6.3 -1.3 -12.3 29 29 A A T 3 S- 0 0 31 1,-0.3 17,-0.4 20,-0.1 -1,-0.2 0.828 138.2 -57.6 56.2 36.0 -8.1 -1.2 -15.6 30 30 A N T 3 S- 0 0 158 -3,-0.5 -1,-0.3 16,-0.1 -2,-0.2 0.738 86.6-104.3 65.2 25.9 -9.5 2.3 -15.0 31 31 A G < - 0 0 13 -3,-1.7 15,-2.3 -4,-0.3 16,-0.3 -0.236 41.3-137.3 66.3-145.8 -11.2 1.2 -11.8 32 32 A G E -C 45 0A 26 13,-0.3 2,-0.3 -7,-0.1 13,-0.2 -0.954 4.7-110.4 163.7 177.1 -14.9 0.6 -11.5 33 33 A T E -C 44 0A 90 11,-2.3 11,-2.8 -2,-0.3 2,-0.4 -0.985 13.0-132.2-141.0 145.7 -18.0 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 -0.781 30.1 175.1 -92.4 143.4 -20.5 -0.8 -7.4 35 35 A S E -C 42 0A 23 7,-2.1 7,-2.5 -2,-0.4 2,-0.4 -0.940 19.8-138.5-141.6 165.3 -24.2 -0.2 -7.9 36 36 A E E +C 41 0A 96 -2,-0.3 145,-2.5 5,-0.2 2,-0.3 -0.984 23.6 162.2-128.5 137.5 -27.5 -1.7 -6.6 37 37 A A E > -CD 40 180A 34 3,-1.6 3,-2.3 -2,-0.4 143,-0.2 -0.933 68.9 -10.4-154.5 130.6 -30.7 -2.5 -8.4 38 38 A K T 3 S- 0 0 166 141,-2.4 3,-0.1 -2,-0.3 142,-0.1 0.845 128.0 -52.9 50.5 41.0 -33.6 -4.7 -7.6 39 39 A G T 3 S+ 0 0 66 1,-0.3 -31,-0.4 140,-0.3 -1,-0.3 0.474 116.7 109.9 78.4 3.9 -31.8 -6.2 -4.6 40 40 A T E < - C 0 37A 32 -3,-2.3 -3,-1.6 -33,-0.1 2,-0.4 -0.604 59.5-134.8-106.2 169.7 -28.7 -7.2 -6.7 41 41 A H E -AC 6 36A 19 -35,-2.2 -35,-3.6 -5,-0.2 2,-0.5 -0.990 15.7-166.9-129.3 126.4 -25.2 -5.8 -6.8 42 42 A T E -AC 5 35A 23 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.6 -0.965 9.9-158.7-119.8 130.4 -23.2 -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 -0.939 14.0-165.5 -99.4 117.6 -19.5 -4.3 -10.1 44 44 A T E -AC 3 33A 49 -11,-2.8 -11,-2.3 -2,-0.6 2,-0.3 -0.936 9.1-171.3-107.4 124.1 -18.8 -2.4 -13.3 45 45 A M E -AC 2 32A 2 -43,-3.3 -43,-2.0 -2,-0.5 -13,-0.3 -0.894 31.8-125.4-122.1 152.2 -15.1 -2.2 -14.3 46 46 A G S S- 0 0 39 -15,-2.3 2,-0.3 -17,-0.4 -16,-0.1 0.546 82.2 -40.0 -74.9 -7.5 -13.2 -0.3 -17.0 47 47 A G S S- 0 0 17 -16,-0.3 3,-0.5 -45,-0.2 2,-0.2 -0.970 85.6 -43.8 172.7-172.2 -11.6 -3.4 -18.5 48 48 A S S S+ 0 0 27 -2,-0.3 23,-0.2 1,-0.2 -19,-0.1 -0.561 103.4 56.3 -75.5 142.7 -10.1 -6.8 -17.7 49 49 A G S S+ 0 0 20 21,-2.1 2,-0.2 1,-0.4 -1,-0.2 0.510 86.7 78.5 116.7 10.8 -7.5 -6.9 -14.9 50 50 A T - 0 0 0 -3,-0.5 20,-1.9 20,-0.4 -1,-0.4 -0.664 47.5-175.7-133.3-169.1 -9.3 -5.5 -11.8 51 51 A S E - M 0 69B 0 18,-0.2 -25,-2.8 -2,-0.2 2,-0.3 -0.964 13.7-134.6-169.3 175.4 -11.7 -6.5 -9.1 52 52 A G E -LM 25 68B 0 16,-2.3 16,-2.2 -2,-0.3 2,-0.4 -0.967 12.0-140.4-147.5 163.1 -13.8 -5.5 -6.1 53 53 A V E -LM 24 67B 0 -29,-1.4 -29,-2.5 -2,-0.3 2,-0.5 -0.989 2.6-159.5-129.1 133.3 -14.6 -6.9 -2.7 54 54 A L E -LM 23 66B 1 12,-2.6 12,-2.7 -2,-0.4 2,-0.5 -0.952 12.7-156.6-100.4 127.9 -17.7 -6.9 -0.6 55 55 A R E -LM 22 65B 29 -33,-2.5 -34,-3.1 -2,-0.5 -33,-1.1 -0.905 11.6-164.5-101.2 136.2 -17.2 -7.4 3.1 56 56 A F E -LM 20 64B 5 8,-3.1 8,-2.0 -2,-0.5 2,-0.4 -0.897 9.4-164.0-115.8 146.5 -20.2 -8.8 5.0 57 57 A M E -LM 19 63B 75 -38,-2.6 -38,-2.3 -2,-0.3 6,-0.2 -0.996 14.1-142.8-124.1 136.4 -21.0 -8.9 8.7 58 58 A S E > -L 18 0B 4 4,-2.1 3,-2.2 -2,-0.4 -40,-0.2 -0.574 28.6-111.5 -88.9 162.7 -23.6 -11.2 10.2 59 59 A D T 3 S+ 0 0 118 -42,-1.7 -43,-0.1 1,-0.3 -41,-0.1 0.476 121.1 61.1 -69.8 -1.2 -25.8 -10.3 13.1 60 60 A K T 3 S- 0 0 143 -45,-0.2 -1,-0.3 -43,-0.1 -42,-0.1 0.229 124.5-103.9-102.4 10.0 -23.8 -12.9 15.0 61 61 A G < + 0 0 38 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.435 69.3 147.9 89.9 -1.9 -20.6 -10.8 14.4 62 62 A E - 0 0 24 57,-0.0 -4,-2.1 1,-0.0 2,-0.4 -0.484 30.8-156.6 -72.7 139.1 -19.0 -13.0 11.7 63 63 A L E +M 57 0B 16 20,-0.3 20,-1.7 -6,-0.2 2,-0.3 -0.970 21.4 156.8-121.4 129.3 -16.8 -11.1 9.1 64 64 A I E -M 56 0B 0 -8,-2.0 -8,-3.1 -2,-0.4 2,-0.4 -0.979 25.8-141.7-147.0 152.2 -16.1 -12.4 5.6 65 65 A T E -MN 55 80B 0 15,-2.5 15,-2.2 -2,-0.3 2,-0.5 -0.930 2.5-158.6-118.4 148.5 -15.1 -11.0 2.2 66 66 A V E -MN 54 79B 1 -12,-2.7 -12,-2.6 -2,-0.4 2,-0.4 -0.991 13.3-165.7-121.5 121.3 -16.2 -12.0 -1.3 67 67 A A E +MN 53 78B 0 11,-2.6 11,-1.9 -2,-0.5 2,-0.3 -0.923 10.6 172.4-107.8 136.5 -13.9 -10.9 -4.1 68 68 A V E +MN 52 77B 1 -16,-2.2 -16,-2.3 -2,-0.4 2,-0.3 -0.993 14.9 126.9-137.9 146.5 -14.9 -11.0 -7.8 69 69 A G E -MN 51 76B 0 7,-1.8 7,-2.3 -2,-0.3 2,-0.4 -0.953 50.7 -93.0-171.5-169.3 -13.0 -9.7 -10.9 70 70 A V E - N 0 75B 1 -20,-1.9 -21,-2.1 -2,-0.3 2,-0.5 -0.998 28.9-172.8-130.1 128.4 -11.7 -10.4 -14.3 71 71 A H E > S- N 0 74B 32 3,-3.1 3,-1.4 -2,-0.4 -2,-0.0 -0.983 75.3 -17.4-125.8 119.6 -8.1 -11.6 -14.9 72 72 A N T 3 S- 0 0 101 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.921 129.4 -51.3 46.5 48.6 -6.8 -11.9 -18.5 73 73 A Y T 3 S+ 0 0 169 1,-0.2 2,-0.4 -3,-0.1 59,-0.3 0.537 119.9 101.4 73.7 11.1 -10.4 -11.9 -19.8 74 74 A K E < S-N 71 0B 109 -3,-1.4 -3,-3.1 57,-0.1 -1,-0.2 -0.968 73.8-110.1-126.0 142.1 -11.7 -14.6 -17.5 75 75 A R E -N 70 0B 39 55,-0.5 2,-0.3 -2,-0.4 -5,-0.2 -0.276 34.3-175.2 -65.6 153.2 -13.7 -14.3 -14.4 76 76 A W E -N 69 0B 0 -7,-2.3 -7,-1.8 33,-0.2 2,-0.3 -0.955 4.4-177.9-141.2 163.6 -12.3 -15.0 -10.9 77 77 A C E +N 68 0B 0 28,-0.3 2,-0.3 -2,-0.3 33,-0.3 -0.985 5.1 177.9-153.9 162.6 -13.6 -15.2 -7.4 78 78 A D E -N 67 0B 6 -11,-1.9 -11,-2.6 -2,-0.3 2,-0.4 -0.970 13.9-151.9-159.2 159.3 -12.5 -15.8 -3.8 79 79 A V E -N 66 0B 6 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -0.994 8.8-164.3-135.5 132.2 -14.0 -15.8 -0.3 80 80 A V E -N 65 0B 17 -15,-2.2 -15,-2.5 -2,-0.4 3,-0.2 -0.978 14.5-178.6-118.2 126.9 -12.0 -15.1 2.9 81 81 A T + 0 0 32 -2,-0.5 -17,-0.1 -17,-0.2 35,-0.0 -0.608 52.6 47.5-116.2 175.0 -13.5 -16.0 6.2 82 82 A G S S+ 0 0 49 -19,-0.2 -1,-0.2 -2,-0.2 -18,-0.1 0.787 74.1 174.0 68.8 27.7 -12.5 -15.7 9.9 83 83 A L - 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