==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-NOV-12 4I4U . COMPND 2 MOLECULE: BEL BETA-TREFOIL; . SOURCE 2 ORGANISM_SCIENTIFIC: BOLETUS EDULIS; . AUTHOR M.BOVI,L.CENCI,M.PERDUCA,S.CAPALDI,M.E.CARRIZO,L.CIVIERO, . 584 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 55.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 192 32.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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-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 . 50 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 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 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 24 4 0 12 12 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 V 0 0 52 0, 0.0 98,-2.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.4 1.3 -4.1 8.5 2 2 A N B -A 98 0A 19 96,-0.2 96,-0.3 1,-0.1 4,-0.0 -0.405 360.0 -93.6 -62.8 139.4 4.0 -6.1 10.3 3 3 A F - 0 0 17 94,-2.8 3,-0.4 105,-0.2 -1,-0.1 -0.327 34.1-144.3 -53.9 129.9 7.0 -7.0 8.1 4 4 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.642 87.0 57.0 -80.2 -11.4 6.1 -10.5 6.8 5 5 A N + 0 0 115 2,-0.0 138,-0.1 3,-0.0 -2,-0.1 -0.519 65.2 157.1-119.0 63.1 9.7 -11.9 6.8 6 6 A I - 0 0 29 -3,-0.4 3,-0.1 -2,-0.3 -4,-0.0 -0.732 48.7-106.5 -86.5 130.5 10.9 -11.5 10.4 7 7 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.233 37.9-102.9 -57.3 145.4 13.8 -13.9 11.3 8 8 A A > - 0 0 56 1,-0.2 3,-2.0 2,-0.1 41,-0.3 -0.287 54.5 -75.7 -64.0 153.6 12.9 -16.8 13.6 9 9 A E T 3 S+ 0 0 116 1,-0.3 -1,-0.2 39,-0.1 41,-0.1 -0.263 119.8 15.6 -54.3 130.9 14.0 -16.5 17.2 10 10 A G T 3 S+ 0 0 46 39,-0.9 -1,-0.3 1,-0.3 2,-0.2 0.211 89.9 131.5 89.6 -16.0 17.7 -17.0 17.6 11 11 A V < - 0 0 59 -3,-2.0 38,-0.3 38,-0.1 -1,-0.3 -0.537 55.8-126.7 -70.6 133.7 18.5 -16.6 13.9 12 12 A Q + 0 0 78 -2,-0.2 134,-1.8 36,-0.1 2,-0.3 -0.621 39.0 151.5 -91.7 142.5 21.5 -14.2 13.4 13 13 A F E -BC 47 145A 0 34,-2.2 34,-2.6 -2,-0.3 2,-0.3 -0.981 38.6-121.5-156.2 162.5 21.4 -11.2 11.2 14 14 A R E - C 0 144A 28 130,-2.5 130,-2.9 -2,-0.3 2,-0.6 -0.762 26.5-131.1 -98.1 156.1 22.8 -7.7 10.5 15 15 A L E - C 0 143A 0 30,-0.4 9,-1.8 9,-0.4 2,-0.5 -0.958 30.7-175.6-108.6 112.0 20.4 -4.7 10.2 16 16 A R E -DC 23 142A 78 126,-1.9 126,-2.3 -2,-0.6 7,-0.2 -0.935 25.1-123.4-115.3 131.2 21.3 -2.8 7.1 17 17 A A E > - C 0 141A 3 5,-2.7 4,-1.3 -2,-0.5 124,-0.3 -0.496 19.0-134.2 -71.4 135.5 19.7 0.5 6.0 18 18 A R T 4 S+ 0 0 74 122,-2.8 -1,-0.1 -2,-0.2 123,-0.1 0.912 96.7 28.0 -55.9 -49.6 18.1 0.2 2.6 19 19 A D T 4 S+ 0 0 87 121,-0.4 -1,-0.1 118,-0.3 119,-0.1 0.934 127.2 36.4 -86.8 -50.9 19.5 3.5 1.2 20 20 A T T 4 S- 0 0 32 100,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.800 88.9-141.7 -70.8 -29.4 22.8 4.2 2.9 21 21 A G < + 0 0 26 -4,-1.3 -3,-0.1 1,-0.3 2,-0.1 0.537 53.3 140.7 73.4 8.1 23.8 0.5 3.1 22 22 A Y - 0 0 46 16,-0.1 -5,-2.7 -6,-0.1 2,-0.3 -0.423 43.2-136.9 -78.6 156.9 25.2 1.2 6.6 23 23 A V E -DE 16 37A 3 14,-2.3 14,-1.5 -7,-0.2 2,-0.3 -0.843 12.5-116.0-115.0 153.4 24.8 -1.4 9.4 24 24 A I E - E 0 36A 0 -9,-1.8 -9,-0.4 -2,-0.3 2,-0.3 -0.681 28.3-166.6 -81.9 136.9 23.9 -1.0 13.0 25 25 A Y E - E 0 35A 13 10,-2.4 10,-1.2 -2,-0.3 2,-0.4 -0.920 7.9-163.3-116.9 154.6 26.5 -2.0 15.6 26 26 A S E + E 0 34A 0 18,-2.8 41,-0.2 -2,-0.3 8,-0.2 -0.916 25.3 157.5-138.2 108.6 25.9 -2.5 19.3 27 27 A R - 0 0 70 6,-3.0 56,-0.1 -2,-0.4 3,-0.0 -0.628 44.7-128.5-128.5-179.0 29.0 -2.6 21.5 28 28 A T S S+ 0 0 48 -2,-0.2 2,-0.3 1,-0.0 5,-0.1 0.515 84.4 48.9-115.2 -7.2 30.2 -2.1 25.1 29 29 A E S S+ 0 0 122 1,-0.2 -2,-0.1 4,-0.1 -1,-0.0 -0.927 91.6 30.9-130.2 155.1 33.1 0.4 24.7 30 30 A N S S- 0 0 118 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.1 0.996 91.9 -84.3 68.9 81.0 33.7 3.7 22.9 31 31 A P S S+ 0 0 113 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.213 110.9 59.1 -58.8 144.3 30.5 5.8 22.6 32 32 A P - 0 0 55 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 0.329 68.6-174.2 -72.2 132.7 28.2 5.9 20.7 33 33 A L S S+ 0 0 46 1,-0.2 -6,-3.0 48,-0.1 2,-0.4 0.731 78.3 39.5 -72.1 -24.0 27.7 2.3 21.8 34 34 A V E S+E 26 0A 3 47,-0.4 2,-0.3 -8,-0.2 -1,-0.2 -0.995 84.3 123.6-125.5 122.1 25.0 1.9 19.2 35 35 A W E -E 25 0A 80 -10,-1.2 -10,-2.4 -2,-0.4 2,-0.2 -0.903 57.6 -82.0-157.6-177.7 25.6 3.6 15.8 36 36 A Q E -E 24 0A 17 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.656 40.0-161.3 -96.2 160.4 25.8 3.1 12.1 37 37 A Y E -E 23 0A 71 -14,-1.5 -14,-2.3 -2,-0.2 2,-0.6 -0.988 20.3-165.4-151.4 131.4 28.9 1.7 10.4 38 38 A N + 0 0 128 -2,-0.3 -16,-0.1 -16,-0.2 -2,-0.0 -0.935 63.4 59.9-114.7 100.5 30.3 1.6 6.9 39 39 A G S S- 0 0 41 -2,-0.6 3,-0.1 3,-0.0 -2,-0.1 -0.971 85.0 -13.2 171.8-162.6 33.1 -0.9 6.9 40 40 A P S S- 0 0 72 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.117 73.4 -89.1 -63.8 157.0 34.2 -4.5 7.4 41 41 A P + 0 0 101 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.549 48.6 178.6 -66.8 123.6 32.0 -7.1 9.2 42 42 A Y > - 0 0 132 -2,-0.4 3,-1.6 -3,-0.1 4,-0.1 -0.918 38.8-118.1-120.0 155.4 32.5 -7.2 12.9 43 43 A D G > S+ 0 0 108 -2,-0.3 3,-2.3 1,-0.3 22,-0.3 0.780 108.5 70.8 -63.2 -27.8 30.6 -9.5 15.4 44 44 A D G 3 S+ 0 0 35 1,-0.3 -18,-2.8 21,-0.1 -1,-0.3 0.455 89.6 64.0 -73.0 2.3 29.1 -6.5 17.2 45 45 A Q G < S+ 0 0 3 -3,-1.6 2,-0.4 -20,-0.2 -30,-0.4 0.382 84.7 100.9 -94.9 -2.2 26.9 -6.0 14.1 46 46 A L < + 0 0 13 -3,-2.3 19,-2.4 -32,-0.1 2,-0.3 -0.727 48.7 170.9 -93.7 134.2 25.3 -9.3 14.7 47 47 A F E -BF 13 64A 0 -34,-2.6 -34,-2.2 -2,-0.4 2,-0.3 -0.910 19.0-165.8-135.1 157.6 21.8 -9.6 16.3 48 48 A T E - F 0 63A 22 15,-2.1 15,-2.6 -2,-0.3 2,-0.4 -0.867 27.0-114.9-129.5 170.7 19.0 -12.0 17.1 49 49 A L E - F 0 62A 2 -41,-0.3 -39,-0.9 -38,-0.3 2,-0.6 -0.893 7.9-151.0-109.9 139.9 15.4 -11.4 18.1 50 50 A I E - F 0 61A 32 11,-2.4 11,-2.3 -2,-0.4 2,-0.4 -0.955 30.7-129.2-100.4 120.2 13.7 -12.2 21.4 51 51 A Y E - F 0 60A 78 -2,-0.6 9,-0.2 9,-0.2 2,-0.2 -0.573 17.2-133.2 -76.7 124.9 10.1 -12.7 20.5 52 52 A G - 0 0 11 7,-2.3 6,-0.5 -2,-0.4 2,-0.3 -0.489 24.7-170.7 -74.0 145.4 7.6 -10.8 22.6 53 53 A T > + 0 0 102 4,-0.2 3,-2.8 -2,-0.2 4,-0.1 -0.825 51.0 3.0-129.9 170.5 4.6 -12.6 24.1 54 54 A G G > S+ 0 0 37 1,-0.3 3,-1.6 -2,-0.3 -2,-0.0 -0.360 141.0 6.2 56.9-119.5 1.4 -11.5 25.9 55 55 A P G 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.646 136.5 55.4 -65.5 -14.8 1.4 -7.7 26.0 56 56 A R G X S+ 0 0 76 -3,-2.8 3,-2.4 -5,-0.1 -4,-0.3 0.223 73.5 140.7-104.2 13.4 4.5 -7.8 23.8 57 57 A K T < S+ 0 0 97 -3,-1.6 -4,-0.2 1,-0.3 3,-0.1 -0.354 75.4 18.3 -55.0 131.8 3.0 -9.8 21.0 58 58 A N T 3 S+ 0 0 34 -6,-0.5 39,-0.4 1,-0.3 2,-0.3 0.473 109.7 99.7 75.8 6.9 4.3 -8.4 17.7 59 59 A L < - 0 0 4 -3,-2.4 -7,-2.3 37,-0.1 -1,-0.3 -0.823 54.1-164.4-114.5 161.8 7.2 -6.7 19.4 60 60 A Y E -FG 51 95A 20 35,-1.9 35,-3.1 -2,-0.3 2,-0.4 -0.990 19.6-130.9-145.7 144.1 10.7 -8.0 19.6 61 61 A A E -F 50 0A 0 -11,-2.3 -11,-2.4 -2,-0.3 2,-0.8 -0.855 24.0-138.2 -94.5 137.2 13.9 -7.3 21.6 62 62 A I E -F 49 0A 0 31,-0.4 9,-1.9 -2,-0.4 2,-0.4 -0.849 26.1-165.9-101.9 104.6 17.0 -6.9 19.4 63 63 A K E -FH 48 70A 46 -15,-2.6 -15,-2.1 -2,-0.8 7,-0.2 -0.788 18.6-124.5-105.1 130.9 19.8 -8.7 21.1 64 64 A S E > -F 47 0A 2 5,-3.1 4,-1.2 -2,-0.4 -17,-0.2 -0.459 13.1-147.2 -67.8 133.4 23.6 -8.5 20.4 65 65 A V T 4 S+ 0 0 51 -19,-2.4 -1,-0.1 -22,-0.3 -18,-0.1 0.974 93.7 36.6 -66.8 -55.7 25.2 -11.8 19.6 66 66 A P T 4 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.865 132.6 22.9 -69.3 -37.8 28.7 -11.1 21.1 67 67 A N T 4 S- 0 0 51 -41,-0.2 -2,-0.2 2,-0.1 -40,-0.1 0.564 89.3-133.1-110.9 -10.1 27.7 -9.1 24.2 68 68 A G < + 0 0 21 -4,-1.2 18,-0.2 1,-0.2 2,-0.1 0.371 56.4 137.2 79.6 -4.4 24.0 -10.1 24.9 69 69 A R - 0 0 74 16,-0.1 -5,-3.1 -43,-0.1 2,-0.3 -0.453 45.7-135.7 -77.3 149.5 22.7 -6.5 25.4 70 70 A V E -HI 63 84A 0 14,-3.0 14,-2.0 -7,-0.2 -7,-0.2 -0.740 21.0-107.4-102.2 154.0 19.4 -5.4 23.8 71 71 A L E - I 0 83A 1 -9,-1.9 2,-0.3 -2,-0.3 -9,-0.3 -0.377 30.2-166.6 -73.0 152.0 18.7 -2.2 22.0 72 72 A F E - I 0 82A 13 10,-2.3 10,-1.7 -2,-0.1 2,-0.4 -0.978 9.3-166.0-133.7 154.1 16.7 0.6 23.4 73 73 A S E + I 0 81A 1 19,-1.6 41,-0.3 -2,-0.3 2,-0.3 -0.941 27.8 147.9-140.3 116.4 15.2 3.7 21.7 74 74 A R - 0 0 55 6,-3.1 56,-0.1 -2,-0.4 40,-0.1 -0.848 44.4-151.7-143.2 171.8 13.9 6.5 24.0 75 75 A T S S+ 0 0 86 -2,-0.3 3,-0.1 3,-0.1 5,-0.1 0.318 80.9 84.4-128.5 1.2 13.4 10.3 24.3 76 76 A S S S- 0 0 103 1,-0.2 2,-0.3 4,-0.1 4,-0.1 0.762 101.2 -1.4 -79.7 -29.9 13.7 10.6 28.1 77 77 A A S S- 0 0 44 2,-0.2 -1,-0.2 3,-0.1 -3,-0.2 -0.988 87.9 -60.5-159.0 156.0 17.5 10.8 28.3 78 78 A S S S+ 0 0 82 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 -0.664 107.4 49.3 -82.7 141.6 20.8 10.7 26.4 79 79 A P S S- 0 0 79 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.571 70.8-169.5 -73.3 147.9 21.8 8.5 24.6 80 80 A Y S S+ 0 0 66 1,-0.2 -6,-3.1 -2,-0.1 2,-0.5 0.856 80.3 35.3 -73.7 -38.4 18.4 8.2 22.8 81 81 A V E S+I 73 0A 14 -8,-0.2 -47,-0.4 -47,-0.1 2,-0.2 -0.982 86.9 118.4-114.9 129.3 19.5 5.0 21.1 82 82 A G E -I 72 0A 2 -10,-1.7 -10,-2.3 -2,-0.5 2,-0.3 -0.812 51.3 -95.8-161.2-162.7 21.7 2.6 23.1 83 83 A N E -I 71 0A 14 -12,-0.2 2,-0.3 -2,-0.2 -12,-0.2 -0.927 23.3-174.1-136.3 162.8 21.9 -0.8 24.6 84 84 A I E -I 70 0A 56 -14,-2.0 -14,-3.0 -2,-0.3 4,-0.1 -0.983 31.3-101.8-155.1 144.4 21.3 -2.4 28.0 85 85 A A S S+ 0 0 64 -2,-0.3 4,-0.3 -16,-0.3 2,-0.2 -0.189 76.2 53.6 -65.4 161.4 21.9 -5.9 29.5 86 86 A G S S- 0 0 29 -18,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.619 94.7 -72.4 111.7-169.4 19.0 -8.4 29.9 87 87 A D S S- 0 0 101 -2,-0.2 -1,-0.1 -18,-0.1 -26,-0.1 -0.074 100.8 -51.5-117.5 31.4 16.3 -9.9 27.7 88 88 A G S S+ 0 0 12 -3,-0.2 5,-0.1 -4,-0.1 -2,-0.1 0.825 74.2 164.2 97.8 46.5 14.2 -6.8 27.4 89 89 A T + 0 0 99 -4,-0.3 2,-0.3 -5,-0.1 -3,-0.1 0.846 60.8 59.7 -58.8 -38.1 13.7 -5.7 31.0 90 90 A Y S > S- 0 0 130 1,-0.1 3,-1.9 111,-0.0 4,-0.1 -0.697 84.6-122.1-105.6 150.8 12.5 -2.3 30.1 91 91 A N G > S+ 0 0 44 1,-0.3 3,-1.2 -2,-0.3 22,-0.4 0.816 109.9 59.3 -53.5 -40.6 9.6 -1.1 28.0 92 92 A D G 3 S+ 0 0 31 1,-0.3 -19,-1.6 21,-0.1 -1,-0.3 0.259 88.0 77.1 -79.8 12.3 11.7 0.8 25.5 93 93 A N G < S+ 0 0 0 -3,-1.9 2,-0.5 -21,-0.2 -31,-0.4 0.338 77.9 93.8 -92.2 3.2 13.6 -2.4 24.6 94 94 A W < - 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