==== 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 4I4R . 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) . 25673.0 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 . 48 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 7.7 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,-2.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 139.1 1.0 -3.8 8.7 2 2 A N B -A 98 0A 20 96,-0.2 96,-0.3 1,-0.1 4,-0.0 -0.372 360.0 -94.2 -63.4 139.3 3.7 -6.0 10.4 3 3 A F - 0 0 18 94,-3.0 3,-0.4 105,-0.2 -1,-0.1 -0.351 33.6-143.8 -51.8 125.2 6.7 -6.9 8.2 4 4 A P S S+ 0 0 81 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.631 87.7 54.2 -76.1 -13.4 5.7 -10.4 6.8 5 5 A N + 0 0 122 2,-0.0 138,-0.1 3,-0.0 -2,-0.1 -0.484 65.1 156.9-121.1 62.3 9.3 -11.9 6.9 6 6 A I - 0 0 29 -3,-0.4 3,-0.1 -2,-0.2 -4,-0.0 -0.719 49.2-106.0 -87.9 131.2 10.5 -11.5 10.5 7 7 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.184 38.9 -98.5 -61.3 149.6 13.3 -14.0 11.3 8 8 A A > - 0 0 57 1,-0.1 3,-1.7 4,-0.1 41,-0.4 -0.234 52.9 -81.0 -61.9 155.1 12.4 -16.9 13.6 9 9 A E T 3 S+ 0 0 105 1,-0.2 -1,-0.1 39,-0.1 41,-0.1 -0.375 119.7 19.4 -59.2 129.7 13.3 -16.6 17.3 10 10 A G T 3 S+ 0 0 47 39,-0.7 -1,-0.2 1,-0.3 2,-0.1 0.032 90.2 127.6 98.6 -27.0 17.0 -17.5 17.7 11 11 A V < - 0 0 59 -3,-1.7 38,-0.4 38,-0.1 -1,-0.3 -0.435 56.8-128.3 -66.3 136.9 17.9 -16.9 14.0 12 12 A Q + 0 0 79 -2,-0.1 134,-1.6 36,-0.1 2,-0.3 -0.647 38.4 149.4 -94.7 144.3 20.9 -14.6 13.6 13 13 A F E -BC 47 145A 0 34,-1.9 34,-2.5 -2,-0.3 2,-0.3 -0.972 38.6-118.8-157.6 167.1 21.0 -11.5 11.4 14 14 A R E - C 0 144A 19 130,-2.3 130,-3.0 -2,-0.3 2,-0.7 -0.805 24.5-130.6-105.6 158.4 22.4 -8.0 10.8 15 15 A L E - C 0 143A 0 30,-0.4 9,-1.8 9,-0.4 2,-0.5 -0.930 32.1-177.5-109.2 107.0 20.2 -4.9 10.6 16 16 A R E -DC 23 142A 64 126,-1.7 126,-2.2 -2,-0.7 7,-0.2 -0.905 26.6-122.1-112.0 131.7 21.3 -3.0 7.5 17 17 A A E > - C 0 141A 3 5,-2.9 4,-1.1 -2,-0.5 124,-0.3 -0.489 17.9-136.6 -70.6 135.9 19.8 0.3 6.5 18 18 A R T 4 S+ 0 0 72 122,-2.5 -1,-0.1 -2,-0.2 123,-0.1 0.917 95.4 29.8 -59.4 -48.1 18.3 0.2 3.0 19 19 A D T 4 S+ 0 0 85 121,-0.4 -1,-0.1 118,-0.4 119,-0.1 0.955 128.1 33.6 -85.8 -52.6 19.6 3.5 1.7 20 20 A T T 4 S- 0 0 33 100,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.827 90.3-140.7 -70.9 -30.3 23.0 4.1 3.5 21 21 A G < + 0 0 23 -4,-1.1 2,-0.1 1,-0.3 -3,-0.1 0.599 53.3 140.3 76.5 10.3 23.8 0.4 3.6 22 22 A Y - 0 0 50 16,-0.1 -5,-2.9 -6,-0.1 2,-0.3 -0.473 43.0-137.4 -81.4 156.6 25.2 0.9 7.1 23 23 A V E -DE 16 37A 0 14,-2.8 14,-2.2 -7,-0.2 2,-0.3 -0.835 12.7-115.5-113.7 155.4 24.7 -1.7 9.9 24 24 A I E - E 0 36A 0 -9,-1.8 -9,-0.4 -2,-0.3 2,-0.3 -0.683 29.4-167.7 -81.0 138.6 23.8 -1.3 13.5 25 25 A Y E - E 0 35A 24 10,-2.3 10,-1.2 -2,-0.3 2,-0.4 -0.934 9.3-164.7-120.8 157.5 26.2 -2.5 16.1 26 26 A S E + E 0 34A 0 18,-2.6 41,-0.2 -2,-0.3 8,-0.2 -0.912 23.7 159.1-141.8 107.7 25.7 -3.0 19.9 27 27 A R - 0 0 77 6,-2.6 56,-0.1 -2,-0.4 6,-0.1 -0.494 42.7-130.1-124.9-172.6 28.8 -3.3 22.1 28 28 A T S S+ 0 0 80 -2,-0.2 2,-0.3 3,-0.0 5,-0.1 0.434 82.8 60.4-121.6 -3.1 30.0 -3.0 25.7 29 29 A E S S+ 0 0 137 1,-0.2 -2,-0.1 4,-0.1 -1,-0.0 -0.911 92.9 21.8-128.0 149.0 33.1 -0.8 25.4 30 30 A N S S- 0 0 103 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.1 0.981 92.8 -92.1 63.5 77.9 33.6 2.7 24.1 31 31 A P S S+ 0 0 110 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.257 106.3 64.5 -60.5 148.2 30.3 4.7 24.2 32 32 A P - 0 0 65 0, 0.0 -3,-0.1 0, 0.0 50,-0.1 0.367 69.2-171.6 -73.6 136.0 28.1 5.3 22.3 33 33 A L S S+ 0 0 39 1,-0.1 -6,-2.6 -2,-0.1 2,-0.5 0.665 71.3 49.1 -75.9 -18.8 27.6 1.6 22.6 34 34 A V E S+E 26 0A 2 47,-0.3 2,-0.2 -8,-0.2 -8,-0.2 -0.987 75.0 118.2-124.8 122.8 24.9 1.5 19.9 35 35 A W E -E 25 0A 82 -10,-1.2 -10,-2.3 -2,-0.5 2,-0.3 -0.858 56.8 -79.9-157.9-167.7 25.6 3.2 16.5 36 36 A Q E -E 24 0A 19 -2,-0.2 2,-0.4 -12,-0.2 -12,-0.2 -0.814 35.2-165.3-113.4 154.9 26.0 2.6 12.8 37 37 A Y E -E 23 0A 79 -14,-2.2 -14,-2.8 -2,-0.3 2,-0.6 -0.999 17.6-159.9-145.3 137.5 28.9 1.2 10.8 38 38 A N + 0 0 115 -2,-0.4 -16,-0.1 -16,-0.2 -2,-0.0 -0.914 63.4 60.7-115.9 97.2 30.1 1.0 7.2 39 39 A G S S- 0 0 28 -2,-0.6 3,-0.1 1,-0.0 -2,-0.1 -0.972 83.5 -17.3 174.4-166.4 32.6 -1.7 7.0 40 40 A P S S- 0 0 78 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.032 74.4 -81.9 -60.1 159.1 33.5 -5.5 7.4 41 41 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.493 49.6 174.6 -67.1 128.0 31.4 -8.0 9.5 42 42 A Y > - 0 0 134 -2,-0.2 3,-1.6 -3,-0.1 4,-0.1 -0.932 40.9-115.6-129.1 154.6 32.0 -8.0 13.2 43 43 A D G > S+ 0 0 110 -2,-0.3 3,-2.2 1,-0.3 22,-0.3 0.785 108.8 68.9 -65.5 -26.8 30.1 -10.1 15.8 44 44 A D G 3 S+ 0 0 35 1,-0.3 -18,-2.6 21,-0.1 -1,-0.3 0.470 91.7 63.0 -74.5 2.5 28.7 -7.0 17.6 45 45 A Q G < S+ 0 0 3 -3,-1.6 -30,-0.4 -20,-0.2 2,-0.4 0.362 85.7 100.8 -96.1 -2.0 26.6 -6.4 14.5 46 46 A L < + 0 0 11 -3,-2.2 19,-2.4 -32,-0.1 2,-0.3 -0.744 48.3 168.1 -93.4 131.2 24.9 -9.8 15.1 47 47 A F E -BF 13 64A 0 -34,-2.5 -34,-1.9 -2,-0.4 2,-0.3 -0.898 19.8-164.5-132.7 161.0 21.4 -10.0 16.7 48 48 A T E - F 0 63A 20 15,-2.0 15,-2.7 -2,-0.3 2,-0.4 -0.899 27.3-113.2-131.3 171.3 18.5 -12.3 17.3 49 49 A L E - F 0 62A 0 -38,-0.4 -39,-0.7 -41,-0.4 2,-0.6 -0.875 7.9-150.1-108.7 136.9 15.0 -11.6 18.3 50 50 A I E - F 0 61A 40 11,-2.5 11,-2.2 -2,-0.4 2,-0.3 -0.925 30.7-130.3 -94.3 120.1 13.1 -12.4 21.6 51 51 A Y E - F 0 60A 77 -2,-0.6 9,-0.2 9,-0.2 2,-0.2 -0.556 16.0-132.9 -75.4 127.9 9.5 -12.9 20.6 52 52 A G - 0 0 11 7,-2.5 6,-0.6 -2,-0.3 2,-0.3 -0.532 25.0-172.9 -76.1 145.4 7.0 -10.9 22.7 53 53 A T > + 0 0 99 -2,-0.2 3,-2.4 4,-0.2 4,-0.1 -0.864 51.2 3.9-129.9 169.3 3.9 -12.7 24.0 54 54 A G G > S+ 0 0 37 1,-0.3 3,-1.9 -2,-0.3 -2,-0.0 -0.400 139.9 5.2 60.5-123.7 0.8 -11.6 25.8 55 55 A P G 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.713 137.5 54.5 -62.0 -20.2 0.8 -7.8 26.1 56 56 A R G X S+ 0 0 78 -3,-2.4 3,-2.6 -5,-0.1 -4,-0.3 0.246 74.5 141.5-100.4 12.3 3.9 -7.8 24.0 57 57 A K T < S+ 0 0 91 -3,-1.9 -4,-0.2 1,-0.3 3,-0.1 -0.347 74.4 19.3 -56.8 132.0 2.4 -9.8 21.1 58 58 A N T 3 S+ 0 0 34 -6,-0.6 39,-0.4 1,-0.3 2,-0.3 0.440 108.7 100.6 78.3 6.8 3.8 -8.4 17.8 59 59 A L < - 0 0 5 -3,-2.6 -7,-2.5 37,-0.1 -1,-0.3 -0.836 52.8-166.0-113.0 159.9 6.7 -6.8 19.6 60 60 A Y E -FG 51 95A 19 35,-2.1 35,-2.9 -2,-0.3 2,-0.4 -0.985 19.3-131.1-143.2 148.8 10.3 -8.1 19.8 61 61 A A E -F 50 0A 0 -11,-2.2 -11,-2.5 -2,-0.3 2,-0.8 -0.855 22.7-137.5 -98.8 140.0 13.5 -7.5 21.8 62 62 A I E -F 49 0A 0 31,-0.4 9,-1.8 -2,-0.4 2,-0.4 -0.858 27.0-167.7-103.8 105.8 16.6 -7.1 19.7 63 63 A K E -FH 48 70A 41 -15,-2.7 -15,-2.0 -2,-0.8 7,-0.2 -0.796 19.9-123.1-109.5 128.9 19.4 -9.1 21.5 64 64 A S E > -F 47 0A 2 5,-3.1 4,-1.5 -2,-0.4 -17,-0.3 -0.462 12.3-148.2 -67.8 129.9 23.1 -9.0 20.8 65 65 A V T 4 S+ 0 0 55 -19,-2.4 -1,-0.1 -22,-0.3 -18,-0.1 0.978 94.3 38.6 -59.6 -57.5 24.7 -12.3 19.9 66 66 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.871 133.1 19.8 -66.4 -40.8 28.1 -11.7 21.5 67 67 A N T 4 S- 0 0 46 -41,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.528 89.5-132.8-112.0 -7.6 27.1 -9.7 24.6 68 68 A G < + 0 0 20 -4,-1.5 18,-0.2 1,-0.2 2,-0.1 0.435 56.6 137.8 77.3 -2.0 23.5 -10.6 25.2 69 69 A R - 0 0 73 16,-0.1 -5,-3.1 -43,-0.1 2,-0.3 -0.479 45.3-135.9 -77.0 150.8 22.3 -7.0 25.7 70 70 A V E -HI 63 84A 0 14,-2.9 14,-1.9 -7,-0.2 -7,-0.2 -0.757 19.8-109.7-104.8 154.5 19.1 -5.8 24.1 71 71 A L E - I 0 83A 1 -9,-1.8 2,-0.3 -2,-0.3 -9,-0.3 -0.412 28.7-163.6 -77.8 154.3 18.5 -2.4 22.4 72 72 A F E - I 0 82A 20 10,-2.6 10,-1.6 -2,-0.1 2,-0.4 -0.976 7.8-163.9-132.6 154.0 16.4 0.4 23.8 73 73 A S E + I 0 81A 0 19,-1.7 41,-0.3 -2,-0.3 2,-0.3 -0.943 25.0 151.4-139.1 118.0 14.9 3.5 22.2 74 74 A R - 0 0 62 6,-2.9 56,-0.1 -2,-0.4 40,-0.1 -0.846 39.8-150.9-139.9 169.5 13.7 6.3 24.3 75 75 A T S S+ 0 0 83 -2,-0.3 5,-0.1 3,-0.0 3,-0.1 0.457 80.5 79.8-119.5 -3.1 13.2 10.1 24.3 76 76 A S S S+ 0 0 103 1,-0.2 2,-0.3 4,-0.1 4,-0.1 0.655 100.9 0.9 -87.3 -19.1 13.6 11.0 28.0 77 77 A A S S- 0 0 39 2,-0.1 -1,-0.2 3,-0.0 -3,-0.2 -0.985 86.0 -58.5-165.3 154.7 17.4 11.0 28.3 78 78 A S S S+ 0 0 84 -2,-0.3 2,-0.1 2,-0.1 -3,-0.0 -0.678 107.6 47.7 -86.4 141.7 20.7 10.5 26.4 79 79 A P S S- 0 0 71 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.530 70.9-171.9 -75.5 148.3 21.7 8.2 25.0 80 80 A Y S S+ 0 0 64 1,-0.2 -6,-2.9 -2,-0.1 2,-0.5 0.814 78.8 35.4 -77.6 -33.6 18.4 8.0 23.2 81 81 A V E S+I 73 0A 13 -8,-0.2 -47,-0.3 -47,-0.1 -1,-0.2 -0.994 85.5 122.4-122.6 125.9 19.3 4.7 21.6 82 82 A G E -I 72 0A 3 -10,-1.6 -10,-2.6 -2,-0.5 2,-0.3 -0.812 49.6 -95.0-158.3-167.1 21.4 2.3 23.6 83 83 A N E -I 71 0A 17 -12,-0.3 2,-0.3 -2,-0.2 -12,-0.2 -0.863 24.3-177.6-128.0 165.5 21.7 -1.2 25.1 84 84 A I E -I 70 0A 59 -14,-1.9 -14,-2.9 -2,-0.3 4,-0.1 -0.966 31.1-104.4-157.5 146.7 20.9 -2.8 28.4 85 85 A A S S+ 0 0 63 -2,-0.3 4,-0.3 -16,-0.2 2,-0.2 -0.188 75.0 58.7 -71.4 168.0 21.3 -6.4 29.8 86 86 A G S S- 0 0 30 -18,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.653 94.6 -76.0 110.9-167.8 18.4 -8.8 30.2 87 87 A D S S- 0 0 98 -2,-0.2 -1,-0.1 -18,-0.1 -26,-0.1 -0.064 99.5 -50.1-120.9 30.4 15.8 -10.2 27.8 88 88 A G S S+ 0 0 11 -3,-0.2 -2,-0.1 -4,-0.1 5,-0.1 0.813 74.6 163.7 102.2 49.5 13.7 -7.1 27.5 89 89 A T + 0 0 98 -4,-0.3 2,-0.3 -5,-0.1 -3,-0.1 0.834 60.9 57.4 -66.7 -32.4 13.0 -6.1 31.1 90 90 A Y S > S- 0 0 128 1,-0.1 3,-2.3 111,-0.0 4,-0.1 -0.756 84.7-121.8-110.7 149.0 11.9 -2.6 30.2 91 91 A N G > S+ 0 0 59 -2,-0.3 3,-1.6 1,-0.3 22,-0.4 0.826 109.5 61.0 -59.9 -33.5 9.1 -1.5 28.0 92 92 A D G 3 S+ 0 0 30 1,-0.3 -19,-1.7 21,-0.1 -1,-0.3 0.367 89.4 73.4 -77.6 11.6 11.3 0.6 25.7 93 93 A N G < S+ 0 0 0 -3,-2.3 2,-0.5 -21,-0.2 -31,-0.4 0.374 80.8 93.2 -93.4 1.6 13.2 -2.6 24.9 94 94 A W < - 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