==== 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 3QDX . 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) . 13975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 67.3 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 0 110 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 155.3 -16.1 -2.7 -20.0 2 2 A Y E -A 45 0A 27 43,-1.8 43,-3.5 45,-0.2 2,-0.4 -0.990 360.0-168.7-124.8 141.5 -16.8 -5.9 -17.9 3 3 A S E -Ab 44 134A 21 130,-2.9 132,-2.3 -2,-0.4 2,-0.4 -0.975 9.5-162.3-127.4 151.0 -19.6 -6.2 -15.3 4 4 A I E -Ab 43 135A 0 39,-2.4 39,-2.7 -2,-0.4 2,-0.5 -0.980 9.2-161.7-129.9 116.3 -20.3 -8.8 -12.7 5 5 A T E -Ab 42 136A 18 130,-2.3 132,-2.7 -2,-0.4 2,-0.4 -0.888 9.1-159.6-103.0 126.6 -23.8 -8.9 -11.2 6 6 A L E -Ab 41 137A 1 35,-3.2 35,-2.1 -2,-0.5 2,-0.5 -0.870 11.5-164.5-110.7 136.9 -24.2 -10.7 -7.9 7 7 A R E - b 0 138A 110 130,-1.8 132,-3.1 -2,-0.4 2,-0.6 -0.987 18.9-143.1-114.8 127.2 -27.3 -12.2 -6.3 8 8 A V E - b 0 139A 44 -2,-0.5 2,-0.5 31,-0.4 132,-0.2 -0.820 15.9-172.8 -98.3 119.2 -27.0 -13.0 -2.6 9 9 A F E - b 0 140A 85 130,-3.5 132,-3.0 -2,-0.6 2,-0.6 -0.928 4.8-167.3-110.1 123.2 -28.7 -16.1 -1.3 10 10 A Q E + b 0 141A 65 -2,-0.5 132,-0.2 130,-0.2 130,-0.1 -0.958 9.8 175.6-113.7 119.3 -28.8 -16.8 2.5 11 11 A R + 0 0 181 130,-3.5 131,-0.2 -2,-0.6 -1,-0.1 0.749 56.2 45.9 -95.4 -27.9 -29.9 -20.3 3.2 12 12 A N > - 0 0 61 129,-0.4 3,-2.5 4,-0.2 4,-0.3 -0.869 49.6-164.1-137.2 97.1 -29.7 -21.0 6.9 13 13 A P G > S+ 0 0 114 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.705 88.4 75.0 -50.1 -23.7 -30.9 -18.7 9.7 14 14 A G G 3 S+ 0 0 54 1,-0.3 3,-0.1 -3,-0.1 128,-0.0 0.763 92.6 53.6 -62.4 -22.7 -28.8 -20.7 12.2 15 15 A R G < S- 0 0 80 -3,-2.5 -1,-0.3 1,-0.3 45,-0.3 0.484 116.5-119.7 -86.1 -5.2 -25.7 -19.0 10.7 16 16 A G < - 0 0 11 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.3 -0.361 35.9 -65.9 87.5-175.3 -27.3 -15.6 11.4 17 17 A F - 0 0 128 -2,-0.1 42,-1.5 -3,-0.1 2,-0.3 -0.946 45.5-146.3-118.6 131.6 -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 -0.712 15.8 179.5-100.3 144.3 -25.3 -11.2 6.7 19 19 A S E -L 57 0B 64 38,-2.2 38,-2.5 -2,-0.3 2,-0.3 -0.958 36.6 -97.0-134.0 159.4 -25.2 -7.6 5.5 20 20 A I E +L 56 0B 49 -2,-0.3 36,-0.3 36,-0.2 3,-0.1 -0.557 36.2 172.3 -77.7 134.7 -22.6 -5.7 3.5 21 21 A V E + 0 0 59 34,-3.1 2,-0.3 1,-0.4 35,-0.2 0.438 65.9 12.4-119.4 -0.7 -20.3 -3.5 5.6 22 22 A E E -L 55 0B 41 33,-1.1 33,-2.4 2,-0.0 -1,-0.4 -0.950 53.5-164.6-170.5 145.2 -17.7 -2.4 2.9 23 23 A K E -L 54 0B 94 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.928 14.9-175.3-140.8 121.4 -17.3 -2.4 -0.8 24 24 A T E -L 53 0B 21 29,-2.6 29,-1.3 -2,-0.3 2,-0.4 -0.763 13.1-158.0-113.5 159.1 -13.9 -1.8 -2.5 25 25 A V E -L 52 0B 50 -2,-0.3 27,-0.2 27,-0.2 7,-0.1 -0.994 21.6-129.4-133.7 125.7 -12.8 -1.4 -6.1 26 26 A F - 0 0 13 25,-2.9 25,-0.1 -2,-0.4 5,-0.0 -0.417 19.1-124.8 -74.8 154.8 -9.2 -2.0 -7.2 27 27 A H S S+ 0 0 131 4,-0.1 3,-0.5 -2,-0.1 4,-0.3 0.491 73.8 99.9 -88.0 -5.4 -7.5 0.7 -9.3 28 28 A Y S > S+ 0 0 88 1,-0.2 3,-1.5 2,-0.2 18,-0.3 -0.308 76.6 30.8 -72.2 165.8 -6.3 -1.2 -12.3 29 29 A A T 3 S- 0 0 31 1,-0.3 17,-0.5 17,-0.1 -1,-0.2 0.835 138.2 -58.2 57.8 38.5 -8.2 -1.2 -15.6 30 30 A N T 3 S- 0 0 161 -3,-0.5 -1,-0.3 16,-0.1 -2,-0.2 0.727 87.0-105.1 62.8 24.0 -9.5 2.3 -15.1 31 31 A G < - 0 0 13 -3,-1.5 15,-2.1 -4,-0.3 16,-0.3 -0.271 41.3-137.9 65.9-142.5 -11.2 1.2 -11.8 32 32 A G E -C 45 0A 27 13,-0.2 2,-0.3 -7,-0.1 13,-0.2 -0.960 4.4-109.2 163.0 179.1 -14.9 0.7 -11.5 33 33 A T E -C 44 0A 89 11,-2.0 11,-2.6 -2,-0.3 2,-0.4 -0.976 12.8-132.4-141.1 148.4 -18.0 1.2 -9.4 34 34 A W E +C 43 0A 32 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.835 30.2 174.3 -96.1 143.9 -20.4 -0.8 -7.3 35 35 A S E -C 42 0A 24 7,-2.0 7,-2.7 -2,-0.4 2,-0.4 -0.964 19.8-140.5-141.1 160.6 -24.1 -0.2 -7.9 36 36 A E E +C 41 0A 59 -2,-0.3 145,-2.4 5,-0.2 2,-0.3 -0.973 22.4 164.8-125.2 141.0 -27.4 -1.8 -6.5 37 37 A A E > -CD 40 180A 31 3,-1.9 3,-2.4 -2,-0.4 143,-0.2 -0.936 69.2 -11.4-154.3 129.0 -30.6 -2.5 -8.4 38 38 A K T 3 S- 0 0 164 141,-2.5 3,-0.1 -2,-0.3 142,-0.1 0.853 128.0 -53.0 49.6 40.2 -33.6 -4.7 -7.5 39 39 A G T 3 S+ 0 0 51 1,-0.3 -31,-0.4 140,-0.3 -1,-0.3 0.463 116.3 112.1 80.1 1.1 -31.6 -6.2 -4.6 40 40 A T E < - C 0 37A 34 -3,-2.4 -3,-1.9 -33,-0.1 2,-0.4 -0.633 58.3-138.8-103.0 162.3 -28.7 -7.2 -6.8 41 41 A H E -AC 6 36A 32 -35,-2.1 -35,-3.2 -2,-0.2 2,-0.5 -0.987 15.2-166.0-127.2 125.4 -25.1 -5.8 -6.7 42 42 A T E -AC 5 35A 22 -7,-2.7 -7,-2.0 -2,-0.4 2,-0.6 -0.948 11.0-158.9-120.4 129.7 -23.1 -5.0 -9.8 43 43 A L E -AC 4 34A 0 -39,-2.7 -39,-2.4 -2,-0.5 2,-0.5 -0.920 14.5-165.4 -98.9 117.4 -19.4 -4.3 -10.1 44 44 A T E -AC 3 33A 48 -11,-2.6 -11,-2.0 -2,-0.6 2,-0.3 -0.921 9.3-169.4-107.2 124.2 -18.8 -2.4 -13.4 45 45 A M E -AC 2 32A 3 -43,-3.5 -43,-1.8 -2,-0.5 -13,-0.2 -0.836 30.6-126.1-119.5 154.2 -15.1 -2.3 -14.4 46 46 A G S S- 0 0 38 -15,-2.1 2,-0.3 -17,-0.5 -16,-0.1 0.563 82.3 -39.3 -75.2 -8.9 -13.2 -0.4 -17.1 47 47 A G S S- 0 0 18 -16,-0.3 3,-0.4 -45,-0.1 2,-0.3 -0.969 85.8 -45.1 174.1-174.1 -11.6 -3.5 -18.6 48 48 A S S S+ 0 0 28 -2,-0.3 23,-0.2 1,-0.2 -19,-0.1 -0.625 104.1 56.5 -75.3 141.4 -10.1 -6.8 -17.8 49 49 A G S S+ 0 0 21 21,-2.1 2,-0.2 1,-0.4 -1,-0.2 0.552 86.3 78.6 118.9 14.6 -7.5 -6.9 -15.0 50 50 A T - 0 0 0 20,-0.5 20,-1.9 -3,-0.4 -1,-0.4 -0.744 47.0-177.3-136.5-172.5 -9.2 -5.5 -11.9 51 51 A S E - M 0 69B 0 18,-0.2 -25,-2.9 -2,-0.2 2,-0.3 -0.959 13.3-137.1-167.1 176.4 -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 -0.978 11.9-139.0-152.1 167.7 -13.7 -5.5 -6.1 53 53 A V E -LM 24 67B 0 -29,-1.3 -29,-2.6 -2,-0.3 2,-0.5 -0.981 2.0-158.2-132.9 134.3 -14.5 -6.9 -2.7 54 54 A L E -LM 23 66B 0 12,-2.5 12,-2.6 -2,-0.4 2,-0.4 -0.968 13.6-155.6-102.3 129.8 -17.7 -7.0 -0.7 55 55 A R E -LM 22 65B 30 -33,-2.4 -34,-3.1 -2,-0.5 -33,-1.1 -0.902 12.4-164.6-101.9 135.1 -17.1 -7.5 3.1 56 56 A F E -LM 20 64B 5 8,-3.2 8,-2.1 -2,-0.4 2,-0.4 -0.906 9.4-163.9-115.2 147.4 -20.1 -8.9 5.0 57 57 A M E -LM 19 63B 80 -38,-2.5 -38,-2.2 -2,-0.4 6,-0.2 -0.998 13.4-143.1-126.2 136.2 -20.8 -9.1 8.7 58 58 A S E > -L 18 0B 3 4,-2.1 3,-2.1 -2,-0.4 -40,-0.2 -0.540 27.7-113.5 -88.8 162.6 -23.4 -11.4 10.2 59 59 A D T 3 S+ 0 0 116 -42,-1.5 -43,-0.1 1,-0.3 -41,-0.1 0.464 119.9 61.5 -75.0 2.0 -25.6 -10.4 13.2 60 60 A K T 3 S- 0 0 143 -45,-0.3 -1,-0.3 -43,-0.1 -44,-0.1 0.289 125.0-103.5-103.1 6.1 -23.7 -13.1 15.0 61 61 A G < + 0 0 50 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.407 69.6 146.8 94.3 -1.7 -20.4 -11.2 14.5 62 62 A E - 0 0 23 57,-0.0 -4,-2.1 20,-0.0 2,-0.5 -0.473 31.3-156.9 -71.6 136.4 -18.8 -13.2 11.7 63 63 A L E +M 57 0B 17 20,-0.3 20,-1.8 -6,-0.2 2,-0.3 -0.964 21.1 158.6-118.5 129.0 -16.7 -11.2 9.1 64 64 A I E -M 56 0B 0 -8,-2.1 -8,-3.2 -2,-0.5 2,-0.4 -0.975 25.0-142.3-144.9 154.4 -16.1 -12.5 5.6 65 65 A T E -MN 55 80B 0 15,-2.6 15,-2.0 -2,-0.3 2,-0.5 -0.939 2.3-159.8-121.6 146.4 -15.1 -11.1 2.2 66 66 A V E -MN 54 79B 2 -12,-2.6 -12,-2.5 -2,-0.4 2,-0.4 -0.989 12.9-166.4-121.7 122.0 -16.1 -12.0 -1.4 67 67 A A E +MN 53 78B 0 11,-2.7 11,-1.8 -2,-0.5 2,-0.3 -0.913 9.8 173.8-108.4 136.2 -13.8 -10.9 -4.2 68 68 A V E +MN 52 77B 0 -16,-2.2 -16,-2.3 -2,-0.4 2,-0.3 -0.992 14.7 129.3-135.6 148.6 -14.8 -11.0 -7.8 69 69 A G E -MN 51 76B 0 7,-1.8 7,-2.1 -2,-0.3 2,-0.4 -0.964 50.4 -95.3-170.7-174.0 -12.9 -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 -0.994 29.7-173.4-124.6 126.8 -11.7 -10.4 -14.4 71 71 A H E > S- N 0 74B 31 3,-3.0 3,-1.4 -2,-0.4 -2,-0.0 -0.978 74.8 -17.5-121.9 120.2 -8.1 -11.6 -15.0 72 72 A N T 3 S- 0 0 101 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.911 128.7 -52.0 48.9 48.4 -6.8 -12.0 -18.6 73 73 A Y T 3 S+ 0 0 168 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.574 120.4 100.1 69.5 13.7 -10.4 -11.9 -19.9 74 74 A K E < S-N 71 0B 108 -3,-1.4 -3,-3.0 57,-0.1 -1,-0.2 -0.985 74.9-110.1-127.6 142.0 -11.7 -14.7 -17.6 75 75 A R E -N 70 0B 39 55,-0.5 2,-0.3 -2,-0.4 -5,-0.2 -0.217 34.0-174.1 -64.7 156.1 -13.7 -14.3 -14.4 76 76 A W E -N 69 0B 0 -7,-2.1 -7,-1.8 33,-0.2 2,-0.3 -0.959 4.4-178.0-144.4 160.4 -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 -0.982 5.0 177.9-153.6 162.1 -13.5 -15.2 -7.4 78 78 A D E -N 67 0B 7 -11,-1.8 -11,-2.7 -2,-0.3 2,-0.4 -0.969 13.4-152.1-160.0 158.8 -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 -0.993 7.4-164.5-136.6 132.2 -13.8 -15.9 -0.4 80 80 A V E -N 65 0B 16 -15,-2.0 -15,-2.6 -2,-0.4 3,-0.2 -0.976 13.9-175.1-118.3 127.0 -11.9 -15.2 2.8 81 81 A T + 0 0 34 -2,-0.5 -17,-0.2 -17,-0.2 35,-0.0 -0.619 54.0 43.8-114.9 175.4 -13.4 -16.1 6.2 82 82 A G S S+ 0 0 48 -19,-0.2 -1,-0.2 -2,-0.2 -18,-0.2 0.782 73.2 175.0 63.6 30.7 -12.5 -15.7 9.9 83 83 A L - 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