==== 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 4I4V . 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) . 25412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 55.1 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 . 49 8.4 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 50 0, 0.0 98,-2.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.9 1.4 -4.1 8.6 2 2 A N B -A 98 0A 18 96,-0.2 96,-0.3 1,-0.1 4,-0.0 -0.409 360.0 -92.7 -63.8 140.8 4.2 -6.1 10.4 3 3 A F - 0 0 19 94,-2.8 3,-0.4 105,-0.2 -1,-0.1 -0.367 34.0-144.4 -55.0 127.7 7.1 -7.0 8.1 4 4 A P S S+ 0 0 81 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.600 87.6 56.4 -77.7 -10.6 6.2 -10.5 6.8 5 5 A N + 0 0 119 2,-0.0 138,-0.1 3,-0.0 -2,-0.1 -0.476 64.8 156.7-122.5 60.6 9.8 -11.8 6.9 6 6 A I - 0 0 28 -3,-0.4 3,-0.1 -2,-0.2 -4,-0.0 -0.725 49.5-106.0 -85.1 129.0 11.1 -11.4 10.4 7 7 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.227 39.2-100.6 -58.2 143.2 14.0 -13.8 11.2 8 8 A A > - 0 0 59 1,-0.2 3,-2.1 2,-0.1 41,-0.3 -0.208 55.7 -75.3 -58.4 153.3 13.1 -16.8 13.5 9 9 A E T 3 S+ 0 0 112 1,-0.3 -1,-0.2 39,-0.1 41,-0.1 -0.277 120.4 15.2 -55.2 129.7 14.2 -16.4 17.1 10 10 A G T 3 S+ 0 0 46 39,-1.0 -1,-0.3 1,-0.3 2,-0.2 0.236 89.2 133.6 90.2 -13.6 17.9 -16.9 17.5 11 11 A V < - 0 0 57 -3,-2.1 38,-0.3 38,-0.1 -1,-0.3 -0.529 54.5-126.8 -70.2 132.9 18.7 -16.5 13.8 12 12 A Q + 0 0 79 -2,-0.2 134,-1.5 36,-0.1 2,-0.3 -0.599 39.8 150.3 -88.6 143.8 21.7 -14.1 13.3 13 13 A F E -BC 47 145A 0 34,-2.0 34,-2.7 -2,-0.3 2,-0.3 -0.981 39.5-119.1-158.3 162.6 21.6 -11.1 11.0 14 14 A R E - C 0 144A 27 130,-2.5 130,-3.0 -2,-0.3 2,-0.7 -0.792 25.9-130.8 -99.5 154.3 22.9 -7.6 10.3 15 15 A L E - C 0 143A 0 30,-0.4 9,-1.9 9,-0.4 2,-0.5 -0.937 32.4-177.3-105.8 108.4 20.6 -4.6 10.2 16 16 A R E -DC 23 142A 78 126,-1.8 126,-2.3 -2,-0.7 7,-0.2 -0.924 25.8-124.4-113.5 130.8 21.4 -2.8 7.0 17 17 A A E > - C 0 141A 3 5,-2.9 4,-1.2 -2,-0.5 124,-0.3 -0.520 17.8-135.6 -71.9 135.0 19.8 0.5 5.9 18 18 A R T 4 S+ 0 0 73 122,-2.4 -1,-0.1 -2,-0.2 123,-0.1 0.907 96.5 29.8 -56.2 -48.7 18.2 0.2 2.4 19 19 A D T 4 S+ 0 0 86 121,-0.4 -1,-0.1 118,-0.3 119,-0.1 0.952 126.9 35.0 -85.9 -54.2 19.5 3.5 1.1 20 20 A T T 4 S- 0 0 31 100,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.848 89.7-140.5 -68.3 -33.9 22.9 4.3 2.8 21 21 A G < + 0 0 24 -4,-1.2 2,-0.1 1,-0.3 -3,-0.1 0.509 54.3 139.8 79.6 7.5 23.9 0.6 2.9 22 22 A Y - 0 0 50 16,-0.1 -5,-2.9 -6,-0.1 -1,-0.3 -0.455 43.2-138.0 -80.2 155.8 25.3 1.2 6.4 23 23 A V E -DE 16 37A 3 14,-2.4 14,-1.9 -7,-0.2 2,-0.3 -0.805 13.1-115.0-112.6 155.5 24.8 -1.3 9.2 24 24 A I E - E 0 36A 0 -9,-1.9 -9,-0.4 -2,-0.3 2,-0.3 -0.677 28.8-166.9 -82.7 139.8 24.0 -1.0 12.9 25 25 A Y E - E 0 35A 13 10,-2.4 10,-1.2 -2,-0.3 2,-0.4 -0.936 9.2-163.7-121.1 155.6 26.6 -2.0 15.5 26 26 A S E + E 0 34A 0 18,-2.7 8,-0.2 -2,-0.3 41,-0.2 -0.921 24.7 158.2-139.2 109.2 26.1 -2.4 19.2 27 27 A R - 0 0 73 6,-2.9 56,-0.1 -2,-0.4 3,-0.0 -0.634 43.5-130.7-127.4-179.7 29.3 -2.5 21.4 28 28 A T S S+ 0 0 71 -2,-0.2 2,-0.3 1,-0.0 5,-0.1 0.493 83.3 53.8-114.7 -8.1 30.5 -2.0 25.0 29 29 A E S S+ 0 0 137 1,-0.2 -2,-0.1 4,-0.1 -1,-0.0 -0.924 92.3 24.6-127.1 153.2 33.4 0.4 24.5 30 30 A N S S- 0 0 113 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.1 0.990 92.6 -86.3 65.7 81.2 34.0 3.7 22.8 31 31 A P S S+ 0 0 114 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.238 109.4 63.9 -60.1 145.6 30.8 5.8 22.5 32 32 A P - 0 0 59 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 0.285 67.6-176.6 -73.2 132.0 28.6 6.0 20.6 33 33 A L S S+ 0 0 45 1,-0.2 -6,-2.9 48,-0.1 2,-0.4 0.767 76.1 38.3 -73.7 -27.8 28.0 2.3 21.7 34 34 A V E S+E 26 0A 2 47,-0.4 2,-0.3 -8,-0.2 -1,-0.2 -0.996 84.9 120.3-122.7 123.9 25.2 2.0 19.1 35 35 A W E -E 25 0A 82 -10,-1.2 -10,-2.4 -2,-0.4 2,-0.3 -0.901 58.5 -79.5-160.0-176.1 25.7 3.7 15.8 36 36 A Q E -E 24 0A 17 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.697 39.3-163.2 -98.0 157.8 25.9 3.1 12.0 37 37 A Y E -E 23 0A 75 -14,-1.9 -14,-2.4 -2,-0.3 2,-0.5 -0.999 19.3-164.9-147.4 137.7 29.0 1.8 10.2 38 38 A N + 0 0 122 -2,-0.3 -16,-0.1 -16,-0.2 -2,-0.0 -0.907 62.6 57.2-120.9 97.5 30.3 1.7 6.7 39 39 A G S S- 0 0 41 -2,-0.5 3,-0.1 3,-0.0 -2,-0.1 -0.962 86.3 -9.1 174.3-159.3 33.2 -0.8 6.5 40 40 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.138 75.8 -89.7 -62.0 153.0 34.3 -4.4 7.1 41 41 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 5,-0.0 -0.516 47.4-177.9 -65.0 122.1 32.1 -7.0 8.9 42 42 A Y > - 0 0 130 -2,-0.3 3,-1.6 -3,-0.1 4,-0.1 -0.896 36.5-119.2-114.4 153.9 32.6 -6.9 12.7 43 43 A D G > S+ 0 0 110 -2,-0.3 3,-2.0 1,-0.3 22,-0.3 0.766 108.4 70.8 -62.7 -27.9 30.9 -9.3 15.2 44 44 A D G 3 S+ 0 0 34 1,-0.3 -18,-2.7 21,-0.1 -1,-0.3 0.444 89.3 64.2 -72.6 2.8 29.3 -6.3 17.0 45 45 A Q G < S+ 0 0 4 -3,-1.6 2,-0.4 -20,-0.2 -30,-0.4 0.364 83.6 100.6 -97.7 -1.1 27.1 -5.8 13.9 46 46 A L < + 0 0 16 -3,-2.0 19,-2.6 -32,-0.1 2,-0.3 -0.756 49.3 172.2 -94.3 132.0 25.5 -9.2 14.5 47 47 A F E -BF 13 64A 0 -34,-2.7 -34,-2.0 -2,-0.4 2,-0.3 -0.896 18.6-165.7-132.5 157.9 22.0 -9.5 16.2 48 48 A T E - F 0 63A 19 15,-2.1 15,-2.6 -2,-0.3 2,-0.4 -0.877 26.6-114.7-129.7 170.0 19.3 -11.9 17.0 49 49 A L E - F 0 62A 0 -41,-0.3 -39,-1.0 -38,-0.3 2,-0.6 -0.883 8.0-151.9-108.8 139.4 15.7 -11.4 18.1 50 50 A I E - F 0 61A 39 11,-2.4 11,-2.2 -2,-0.4 2,-0.4 -0.960 30.5-129.9 -99.3 120.0 14.0 -12.2 21.4 51 51 A Y E - F 0 60A 76 -2,-0.6 9,-0.2 9,-0.2 2,-0.2 -0.580 16.5-133.7 -76.2 124.2 10.3 -12.7 20.5 52 52 A G - 0 0 10 7,-2.5 6,-0.5 -2,-0.4 2,-0.3 -0.496 24.6-171.1 -72.5 145.1 7.9 -10.8 22.7 53 53 A T > + 0 0 102 4,-0.2 3,-2.4 -2,-0.2 4,-0.0 -0.853 51.2 4.5-130.5 169.0 4.9 -12.6 24.1 54 54 A G G > S+ 0 0 37 1,-0.3 3,-1.7 -2,-0.3 -2,-0.0 -0.392 140.7 5.4 59.9-121.1 1.8 -11.5 26.0 55 55 A P G 3 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.654 136.7 55.4 -66.3 -13.6 1.7 -7.7 26.1 56 56 A R G X S+ 0 0 79 -3,-2.4 3,-2.4 -5,-0.1 -4,-0.3 0.220 73.8 140.7-104.6 12.1 4.9 -7.8 23.9 57 57 A K T < S+ 0 0 98 -3,-1.7 -4,-0.2 1,-0.3 3,-0.1 -0.352 74.8 19.3 -57.2 133.1 3.3 -9.8 21.1 58 58 A N T 3 S+ 0 0 29 -6,-0.5 39,-0.4 1,-0.3 2,-0.3 0.492 109.7 100.6 74.6 8.2 4.5 -8.4 17.7 59 59 A L < - 0 0 4 -3,-2.4 -7,-2.5 37,-0.1 -1,-0.3 -0.841 53.1-165.6-115.7 160.6 7.4 -6.7 19.5 60 60 A Y E -FG 51 95A 20 35,-2.0 35,-3.0 -2,-0.3 2,-0.4 -0.993 19.8-131.7-145.5 143.4 11.0 -7.9 19.7 61 61 A A E -F 50 0A 0 -11,-2.2 -11,-2.4 -2,-0.3 2,-0.8 -0.838 23.9-137.7 -93.3 139.9 14.2 -7.2 21.6 62 62 A I E -F 49 0A 0 31,-0.4 9,-1.9 -2,-0.4 2,-0.4 -0.869 26.4-165.5-104.3 105.4 17.3 -6.8 19.4 63 63 A K E -FH 48 70A 44 -15,-2.6 -15,-2.1 -2,-0.8 2,-0.3 -0.779 18.4-123.4-105.3 131.9 20.1 -8.7 21.1 64 64 A S E > -F 47 0A 2 5,-3.1 4,-1.6 -2,-0.4 -17,-0.2 -0.499 12.5-147.9 -71.2 130.8 23.9 -8.4 20.3 65 65 A V T 4 S+ 0 0 53 -19,-2.6 -1,-0.1 -22,-0.3 -18,-0.1 0.968 94.2 36.6 -62.3 -54.9 25.5 -11.7 19.4 66 66 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -22,-0.1 0.848 133.2 22.2 -71.3 -34.9 29.0 -11.0 20.9 67 67 A N T 4 S- 0 0 50 -41,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.555 88.8-134.0-114.1 -9.9 28.0 -9.0 24.1 68 68 A G < + 0 0 21 -4,-1.6 18,-0.2 1,-0.2 2,-0.1 0.367 56.5 136.1 78.9 -5.9 24.3 -10.0 24.7 69 69 A R - 0 0 77 16,-0.1 -5,-3.1 -43,-0.1 2,-0.3 -0.444 46.7-135.3 -75.7 150.3 23.0 -6.5 25.3 70 70 A V E -HI 63 84A 0 14,-3.0 14,-2.0 -7,-0.2 -7,-0.2 -0.753 20.7-107.6-104.3 153.8 19.7 -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 -0.388 29.7-166.6 -73.8 153.0 19.0 -2.1 22.0 72 72 A F E - I 0 82A 16 10,-2.4 10,-1.9 -2,-0.1 2,-0.4 -0.975 8.4-163.9-134.1 155.7 16.9 0.6 23.4 73 73 A S E + I 0 81A 1 19,-1.5 41,-0.3 -2,-0.3 2,-0.3 -0.942 26.3 151.9-140.8 114.0 15.4 3.7 21.8 74 74 A R - 0 0 60 6,-3.1 56,-0.1 -2,-0.4 40,-0.1 -0.842 41.8-151.5-138.8 170.0 14.2 6.5 24.0 75 75 A T S S+ 0 0 87 -2,-0.3 5,-0.1 3,-0.1 3,-0.1 0.364 82.0 79.1-122.4 -1.9 13.6 10.3 24.1 76 76 A S S S+ 0 0 103 1,-0.2 2,-0.3 4,-0.1 4,-0.1 0.880 100.7 4.8 -79.2 -41.9 14.1 10.9 27.8 77 77 A A S S- 0 0 43 2,-0.2 -1,-0.2 3,-0.1 -3,-0.2 -0.961 87.2 -64.0-146.0 155.7 17.9 10.9 28.2 78 78 A S S S+ 0 0 82 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 -0.693 108.2 48.9 -84.3 139.5 21.2 10.7 26.2 79 79 A P S S- 0 0 78 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.523 71.1-171.0 -74.7 146.5 22.1 8.5 24.6 80 80 A Y S S+ 0 0 63 1,-0.2 -6,-3.1 -2,-0.1 2,-0.5 0.865 80.3 36.1 -73.3 -39.1 18.7 8.2 22.8 81 81 A V E S+I 73 0A 13 -8,-0.2 -47,-0.4 -47,-0.1 2,-0.2 -0.976 87.5 123.5-113.4 127.3 19.7 5.0 21.1 82 82 A G E -I 72 0A 3 -10,-1.9 -10,-2.4 -2,-0.5 2,-0.3 -0.806 49.4 -98.0-157.0-165.6 21.9 2.7 23.1 83 83 A N E -I 71 0A 15 -12,-0.3 2,-0.3 -2,-0.2 -12,-0.2 -0.925 23.9-176.1-132.7 161.5 22.2 -0.8 24.6 84 84 A I E -I 70 0A 57 -14,-2.0 -14,-3.0 -2,-0.3 4,-0.1 -0.985 30.8-101.7-153.9 147.3 21.6 -2.4 28.0 85 85 A A S S+ 0 0 63 -2,-0.3 4,-0.3 -16,-0.3 2,-0.2 -0.198 76.5 51.4 -68.3 163.4 22.2 -5.9 29.4 86 86 A G S S- 0 0 31 -18,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.623 95.8 -72.0 107.8-167.4 19.4 -8.4 29.9 87 87 A D S S- 0 0 94 -2,-0.2 -1,-0.1 -18,-0.1 -26,-0.1 -0.114 100.9 -49.9-119.5 33.9 16.7 -9.9 27.6 88 88 A G S S+ 0 0 12 -3,-0.2 5,-0.1 -4,-0.1 -2,-0.1 0.835 74.0 164.0 96.7 47.7 14.5 -6.8 27.3 89 89 A T + 0 0 98 -4,-0.3 2,-0.3 -5,-0.1 -3,-0.1 0.810 60.6 60.0 -61.7 -32.7 14.0 -5.8 31.0 90 90 A Y S > S- 0 0 128 1,-0.1 3,-2.0 111,-0.0 4,-0.1 -0.729 84.4-121.5-111.1 150.9 12.8 -2.4 30.1 91 91 A N G > S+ 0 0 44 -2,-0.3 3,-1.2 1,-0.3 22,-0.4 0.842 110.4 57.1 -54.2 -42.0 9.8 -1.1 28.0 92 92 A D G 3 S+ 0 0 31 1,-0.3 -19,-1.5 21,-0.1 -1,-0.3 0.314 88.5 77.8 -78.7 10.5 12.0 0.8 25.5 93 93 A N G < S+ 0 0 0 -3,-2.0 2,-0.5 -21,-0.2 -31,-0.4 0.332 78.5 94.3 -89.6 3.8 13.9 -2.4 24.7 94 94 A W < - 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