==== 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 4I4Y . 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, . 590 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 54.4 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 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.0 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 . 47 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.0 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+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 51 0, 0.0 98,-2.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 132.1 1.8 -4.0 8.8 2 2 A N B -A 98 0A 18 96,-0.2 96,-0.3 260,-0.1 4,-0.0 -0.423 360.0 -95.2 -62.0 139.0 4.5 -6.1 10.5 3 3 A F - 0 0 18 94,-2.8 3,-0.5 105,-0.2 -1,-0.1 -0.361 33.0-143.1 -54.6 129.7 7.4 -7.0 8.3 4 4 A P S S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.558 88.9 55.8 -81.6 -5.0 6.6 -10.6 7.0 5 5 A N + 0 0 116 2,-0.0 138,-0.1 3,-0.0 -2,-0.1 -0.459 64.6 157.2-125.7 57.4 10.2 -11.9 7.1 6 6 A I - 0 0 27 -3,-0.5 3,-0.1 -2,-0.1 -4,-0.0 -0.704 51.1-105.1 -80.3 128.5 11.4 -11.3 10.6 7 7 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.245 40.1 -98.4 -57.8 144.0 14.3 -13.8 11.4 8 8 A A > - 0 0 58 1,-0.1 3,-2.0 2,-0.1 41,-0.4 -0.153 55.2 -78.3 -55.3 154.1 13.4 -16.7 13.6 9 9 A E T 3 S+ 0 0 113 1,-0.3 -1,-0.1 39,-0.1 41,-0.1 -0.371 120.1 16.6 -58.7 131.3 14.4 -16.4 17.3 10 10 A G T 3 S+ 0 0 46 39,-0.9 2,-0.3 1,-0.3 -1,-0.3 0.255 89.7 130.8 87.9 -12.6 18.2 -17.0 17.7 11 11 A V < - 0 0 57 -3,-2.0 38,-0.3 38,-0.1 -1,-0.3 -0.617 56.5-127.3 -76.9 131.3 19.0 -16.6 14.0 12 12 A Q + 0 0 78 -2,-0.3 134,-1.7 36,-0.1 2,-0.3 -0.572 39.7 150.8 -88.1 142.9 21.9 -14.2 13.6 13 13 A F E -BC 47 145A 0 34,-2.1 34,-2.5 -2,-0.2 2,-0.3 -0.983 38.8-120.2-157.1 161.7 21.9 -11.1 11.3 14 14 A R E - C 0 144A 30 130,-2.6 130,-2.9 -2,-0.3 2,-0.6 -0.748 25.5-130.2 -99.3 159.3 23.1 -7.6 10.7 15 15 A L E - C 0 143A 0 30,-0.4 9,-1.6 9,-0.3 2,-0.5 -0.952 31.4-175.4-109.8 107.8 20.8 -4.6 10.4 16 16 A R E -DC 23 142A 72 126,-2.0 126,-2.5 -2,-0.6 7,-0.2 -0.920 24.9-124.8-110.1 129.0 21.7 -2.7 7.3 17 17 A A E > - C 0 141A 3 5,-3.1 4,-1.3 -2,-0.5 124,-0.3 -0.501 18.4-136.1 -68.4 135.9 20.1 0.6 6.2 18 18 A R T 4 S+ 0 0 76 122,-1.9 -1,-0.1 -2,-0.2 123,-0.1 0.922 95.9 29.8 -57.9 -50.7 18.6 0.4 2.8 19 19 A D T 4 S+ 0 0 83 121,-0.4 -1,-0.1 118,-0.4 119,-0.1 0.913 127.4 36.1 -86.0 -46.3 19.9 3.7 1.4 20 20 A T T 4 S- 0 0 29 100,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.775 89.8-140.7 -74.3 -26.9 23.2 4.3 3.2 21 21 A G < + 0 0 27 -4,-1.3 2,-0.1 1,-0.3 -3,-0.1 0.565 54.6 140.8 72.2 9.2 24.2 0.6 3.2 22 22 A Y - 0 0 51 16,-0.1 -5,-3.1 -6,-0.1 2,-0.3 -0.487 42.0-141.3 -82.3 153.9 25.5 1.3 6.8 23 23 A V E -DE 16 37A 2 14,-2.7 14,-1.5 -7,-0.2 2,-0.3 -0.813 14.6-113.6-112.6 156.6 25.1 -1.3 9.6 24 24 A I E - E 0 36A 0 -9,-1.6 2,-0.3 -2,-0.3 -9,-0.3 -0.686 29.2-165.4 -81.2 134.7 24.4 -0.9 13.3 25 25 A Y E - E 0 35A 20 10,-2.5 10,-1.2 -2,-0.3 2,-0.4 -0.910 6.8-162.9-111.4 154.5 27.1 -1.9 15.7 26 26 A S E + E 0 34A 0 18,-2.5 8,-0.2 -2,-0.3 2,-0.2 -0.904 20.2 167.3-135.2 106.4 26.6 -2.4 19.4 27 27 A R - 0 0 63 6,-3.1 56,-0.1 -2,-0.4 3,-0.0 -0.617 37.7-131.7-114.2 175.7 29.8 -2.4 21.5 28 28 A T S S+ 0 0 57 -2,-0.2 2,-0.3 1,-0.0 5,-0.1 0.479 84.6 42.1-108.8 -6.1 30.6 -2.2 25.3 29 29 A E S S+ 0 0 108 1,-0.2 -2,-0.1 4,-0.1 -1,-0.0 -0.955 90.4 38.4-137.6 155.0 33.2 0.5 25.4 30 30 A N S S- 0 0 109 -2,-0.3 -1,-0.2 1,-0.0 -3,-0.1 0.978 89.4 -78.0 74.9 92.4 33.8 3.9 23.7 31 31 A P S S+ 0 0 121 0, 0.0 -1,-0.0 0, 0.0 4,-0.0 -0.313 114.8 53.0 -60.8 140.2 30.8 6.2 23.2 32 32 A P + 0 0 54 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 0.362 66.6 178.9 -79.7 129.9 28.8 5.9 21.1 33 33 A L S S+ 0 0 46 1,-0.2 -6,-3.1 48,-0.1 2,-0.4 0.762 77.8 37.7 -64.6 -30.0 28.2 2.3 22.1 34 34 A V E S+E 26 0A 4 47,-0.4 2,-0.3 -8,-0.2 -8,-0.2 -0.997 82.8 124.1-124.5 124.0 25.5 2.0 19.4 35 35 A W E -E 25 0A 84 -10,-1.2 -10,-2.5 -2,-0.4 2,-0.2 -0.942 57.1 -79.5-161.0 178.3 26.0 3.7 16.0 36 36 A Q E -E 24 0A 17 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.572 44.6-175.4 -90.5 160.0 26.2 3.2 12.3 37 37 A Y E -E 23 0A 60 -14,-1.5 -14,-2.7 -2,-0.2 2,-0.4 -0.998 20.4-162.9-156.0 141.3 29.2 1.9 10.5 38 38 A N + 0 0 109 -2,-0.3 -16,-0.1 -16,-0.2 -17,-0.0 -0.996 53.8 64.5-127.0 143.0 30.7 1.1 7.1 39 39 A G S S- 0 0 48 -2,-0.4 3,-0.1 3,-0.0 -2,-0.1 -0.875 88.2 -11.2 140.2-172.7 33.6 -1.2 6.5 40 40 A P S S- 0 0 76 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.068 78.5 -93.5 -56.2 153.1 34.5 -4.9 7.0 41 41 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 -0.513 46.7-178.7 -69.3 134.3 32.1 -7.1 9.0 42 42 A Y > - 0 0 138 -2,-0.2 3,-1.8 -3,-0.1 4,-0.1 -0.918 39.4-107.0-129.4 160.7 32.9 -7.5 12.7 43 43 A D G > S+ 0 0 111 -2,-0.3 3,-2.1 1,-0.3 22,-0.3 0.788 111.3 66.6 -59.0 -32.2 31.1 -9.5 15.5 44 44 A D G 3 S+ 0 0 47 1,-0.3 -18,-2.5 21,-0.1 -1,-0.3 0.458 91.5 64.7 -75.4 2.5 29.6 -6.5 17.2 45 45 A Q G < S+ 0 0 3 -3,-1.8 -30,-0.4 -20,-0.2 2,-0.4 0.409 85.0 100.5 -90.8 -3.8 27.4 -5.9 14.1 46 46 A L < + 0 0 16 -3,-2.1 19,-2.3 -4,-0.1 2,-0.3 -0.703 48.1 168.5 -93.1 134.7 25.7 -9.3 14.8 47 47 A F E -BF 13 64A 0 -34,-2.5 -34,-2.1 -2,-0.4 2,-0.3 -0.932 19.5-161.3-136.9 158.1 22.3 -9.5 16.5 48 48 A T E - F 0 63A 20 15,-2.3 15,-2.3 -2,-0.3 2,-0.4 -0.841 26.9-113.1-124.9 171.6 19.5 -12.0 17.3 49 49 A L E - F 0 62A 1 -41,-0.4 -39,-0.9 -38,-0.3 2,-0.6 -0.886 9.0-151.5-107.0 137.7 15.9 -11.4 18.3 50 50 A I E - F 0 61A 37 11,-2.8 11,-2.1 -2,-0.4 2,-0.4 -0.958 29.9-131.4 -95.6 122.4 14.2 -12.2 21.5 51 51 A Y E - F 0 60A 80 -2,-0.6 9,-0.2 9,-0.2 2,-0.2 -0.631 15.7-136.6 -78.8 124.1 10.6 -12.8 20.6 52 52 A G - 0 0 11 7,-2.3 6,-0.6 -2,-0.4 2,-0.3 -0.547 22.5-170.9 -77.5 143.4 8.0 -10.9 22.8 53 53 A T > + 0 0 103 -2,-0.2 3,-2.9 4,-0.2 4,-0.1 -0.805 51.3 1.6-127.0 170.8 4.9 -12.7 24.1 54 54 A G G > S+ 0 0 36 1,-0.3 3,-2.0 -2,-0.3 -2,-0.0 -0.303 140.7 8.0 53.3-121.4 1.7 -11.7 25.8 55 55 A P G 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.753 137.5 52.0 -58.0 -24.8 1.8 -7.9 26.2 56 56 A R G X S+ 0 0 77 -3,-2.9 3,-2.5 -5,-0.1 -4,-0.3 0.209 75.4 141.9-100.2 15.1 4.9 -7.9 24.0 57 57 A K T < S+ 0 0 99 -3,-2.0 -4,-0.2 1,-0.3 3,-0.1 -0.356 75.3 18.4 -53.2 130.7 3.4 -9.9 21.2 58 58 A N T 3 S+ 0 0 27 -6,-0.6 39,-0.4 1,-0.3 2,-0.3 0.412 108.7 101.1 76.9 3.0 4.8 -8.5 17.9 59 59 A L < - 0 0 5 -3,-2.5 -7,-2.3 37,-0.1 -1,-0.3 -0.772 52.5-165.6-108.5 163.7 7.6 -6.7 19.7 60 60 A Y E -FG 51 95A 20 35,-1.6 35,-3.4 -2,-0.3 2,-0.4 -0.995 19.4-133.5-148.7 142.0 11.2 -8.0 19.8 61 61 A A E -F 50 0A 0 -11,-2.1 -11,-2.8 -2,-0.3 2,-0.8 -0.858 23.2-137.9 -94.0 139.0 14.4 -7.3 21.8 62 62 A I E -F 49 0A 0 31,-0.4 9,-1.7 -2,-0.4 2,-0.4 -0.854 25.2-166.1-104.7 102.7 17.5 -6.9 19.6 63 63 A K E -FH 48 70A 44 -15,-2.3 -15,-2.3 -2,-0.8 7,-0.2 -0.763 19.2-123.0-102.9 128.1 20.3 -8.8 21.4 64 64 A S E > -F 47 0A 2 5,-3.2 4,-1.6 -2,-0.4 -17,-0.3 -0.463 13.7-146.7 -66.0 132.2 24.0 -8.5 20.5 65 65 A V T 4 S+ 0 0 52 -19,-2.3 -1,-0.1 -22,-0.3 -18,-0.1 0.971 94.8 37.0 -62.6 -56.1 25.7 -11.8 19.6 66 66 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.869 133.4 22.3 -71.7 -33.8 29.1 -11.1 21.1 67 67 A N T 4 S- 0 0 48 -41,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.504 88.2-133.5-115.5 -6.1 28.1 -9.1 24.2 68 68 A G < + 0 0 20 -4,-1.6 18,-0.2 1,-0.2 2,-0.1 0.345 56.8 136.6 76.5 -8.2 24.5 -10.1 25.0 69 69 A R - 0 0 77 16,-0.1 -5,-3.2 -6,-0.1 2,-0.3 -0.422 46.4-135.5 -73.8 148.7 23.2 -6.5 25.5 70 70 A V E -HI 63 84A 0 14,-3.2 14,-1.8 -7,-0.2 -7,-0.2 -0.768 20.1-109.1-105.4 150.4 19.9 -5.4 24.0 71 71 A L E - I 0 83A 1 -9,-1.7 2,-0.3 -2,-0.3 -9,-0.3 -0.406 30.0-166.3 -73.2 150.5 19.3 -2.2 22.1 72 72 A F E - I 0 82A 20 10,-2.5 10,-2.3 -2,-0.1 2,-0.4 -0.985 7.7-164.1-134.9 149.9 17.2 0.6 23.6 73 73 A S E + I 0 81A 0 19,-1.8 2,-0.2 -2,-0.3 41,-0.2 -0.944 24.4 153.0-136.9 114.9 15.7 3.7 22.0 74 74 A R - 0 0 62 6,-3.1 56,-0.1 -2,-0.4 40,-0.1 -0.799 41.0-151.1-135.7 171.1 14.5 6.6 24.2 75 75 A T S S+ 0 0 76 -2,-0.2 3,-0.1 3,-0.1 5,-0.1 0.300 80.5 82.9-123.0 1.6 13.8 10.3 24.2 76 76 A S S S- 0 0 92 1,-0.2 2,-0.3 4,-0.1 4,-0.1 0.767 100.5 -9.1 -83.8 -26.9 14.4 11.1 27.9 77 77 A A S S- 0 0 41 2,-0.2 -1,-0.2 3,-0.1 -3,-0.2 -0.983 86.0 -50.5-163.9 161.4 18.2 11.3 28.1 78 78 A S S S+ 0 0 85 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 -0.670 107.7 47.6 -86.5 142.7 21.5 10.9 26.2 79 79 A P S S- 0 0 78 0, 0.0 -2,-0.2 0, 0.0 -5,-0.1 0.561 71.3-171.7 -73.0 147.6 22.4 8.5 24.7 80 80 A Y S S+ 0 0 57 1,-0.2 -6,-3.1 -2,-0.1 2,-0.4 0.876 78.1 34.6 -76.8 -38.9 19.1 8.3 22.9 81 81 A V E S+I 73 0A 12 -8,-0.2 -47,-0.4 -47,-0.2 2,-0.2 -0.962 87.2 124.3-115.2 133.7 19.9 4.9 21.2 82 82 A G E -I 72 0A 2 -10,-2.3 -10,-2.5 -2,-0.4 2,-0.3 -0.872 49.0 -93.2-163.6-169.8 22.1 2.6 23.3 83 83 A N E -I 71 0A 15 -12,-0.3 2,-0.3 -2,-0.2 -12,-0.2 -0.887 24.4-178.0-127.8 163.1 22.5 -0.9 24.8 84 84 A I E -I 70 0A 57 -14,-1.8 -14,-3.2 -2,-0.3 4,-0.2 -0.974 32.0-104.2-155.0 145.9 21.8 -2.5 28.2 85 85 A A S S+ 0 0 62 -2,-0.3 4,-0.3 -16,-0.3 2,-0.2 -0.226 76.5 53.8 -70.0 164.5 22.4 -6.0 29.6 86 86 A G S S- 0 0 30 -18,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.590 94.9 -73.9 107.3-170.5 19.5 -8.5 30.0 87 87 A D S S- 0 0 93 -2,-0.2 -1,-0.1 -18,-0.1 -26,-0.1 -0.202 99.4 -49.4-121.3 39.3 16.9 -9.9 27.7 88 88 A G S S+ 0 0 13 -3,-0.2 -2,-0.1 -4,-0.2 5,-0.1 0.888 74.2 162.4 92.3 52.5 14.6 -6.8 27.4 89 89 A T + 0 0 99 -4,-0.3 2,-0.3 -5,-0.1 -3,-0.1 0.823 61.2 56.5 -68.4 -34.1 14.1 -5.8 31.1 90 90 A Y S > S- 0 0 130 1,-0.1 3,-2.0 112,-0.0 4,-0.1 -0.742 84.9-121.4-110.2 151.2 12.9 -2.3 30.2 91 91 A N G > S+ 0 0 64 1,-0.3 3,-1.3 -2,-0.3 22,-0.5 0.804 109.9 60.9 -61.4 -30.8 10.0 -1.2 28.0 92 92 A D G 3 S+ 0 0 32 1,-0.3 -19,-1.8 21,-0.1 -1,-0.3 0.334 89.2 74.1 -79.1 8.6 12.2 0.8 25.7 93 93 A N G < S+ 0 0 0 -3,-2.0 2,-0.5 -21,-0.2 -31,-0.4 0.362 80.0 93.0 -90.5 1.7 14.1 -2.4 24.8 94 94 A W < - 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