==== 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 4I4S . 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) . 25829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 53.6 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 . 43 7.4 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 44 0, 0.0 98,-2.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 131.3 25.2 2.7 60.7 2 2 A N B -A 98 0A 19 96,-0.2 96,-0.3 260,-0.1 4,-0.0 -0.403 360.0 -95.0 -64.3 140.6 22.1 4.6 59.5 3 3 A F - 0 0 18 94,-3.0 3,-0.3 105,-0.2 -1,-0.1 -0.394 33.4-146.1 -56.7 127.5 22.1 5.4 55.8 4 4 A P S S+ 0 0 85 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.664 85.6 58.6 -77.2 -18.1 23.4 9.0 55.5 5 5 A N + 0 0 122 3,-0.0 138,-0.2 2,-0.0 -2,-0.1 -0.533 64.2 157.3-114.2 65.9 21.3 10.1 52.5 6 6 A I - 0 0 30 -2,-0.4 3,-0.1 -3,-0.3 -4,-0.0 -0.747 49.7-103.9 -87.3 131.1 17.7 9.6 53.6 7 7 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.215 42.5 -95.4 -54.7 144.4 15.3 11.8 51.6 8 8 A A > - 0 0 66 1,-0.2 3,-2.4 2,-0.1 41,-0.4 -0.246 56.2 -81.6 -56.4 146.9 14.0 14.9 53.4 9 9 A E T 3 S+ 0 0 114 1,-0.3 -1,-0.2 39,-0.1 41,-0.1 -0.315 119.5 15.9 -54.5 128.1 10.6 14.5 55.0 10 10 A G T 3 S+ 0 0 51 39,-1.1 2,-0.3 1,-0.3 -1,-0.3 0.250 91.9 129.2 89.9 -12.7 7.9 14.8 52.4 11 11 A A < - 0 0 33 -3,-2.4 38,-0.4 38,-0.1 -1,-0.3 -0.577 56.5-126.0 -75.4 136.9 10.2 14.4 49.4 12 12 A Q + 0 0 43 -2,-0.3 134,-2.1 36,-0.1 2,-0.3 -0.585 38.6 152.1 -92.4 148.4 9.1 11.8 46.9 13 13 A F E -BC 47 145A 0 34,-2.1 34,-2.7 132,-0.3 2,-0.3 -0.977 38.3-117.1-158.2 163.1 11.1 8.9 45.6 14 14 A R E - C 0 144A 10 130,-2.5 130,-2.7 -2,-0.3 2,-0.6 -0.792 25.2-131.9 -99.6 154.5 11.1 5.4 44.3 15 15 A L E - C 0 143A 0 30,-0.4 9,-1.8 9,-0.3 2,-0.5 -0.955 31.0-175.6-105.8 111.0 12.7 2.5 46.1 16 16 A R E -DC 23 142A 83 126,-2.1 126,-2.4 -2,-0.6 7,-0.2 -0.930 25.5-123.8-115.3 129.9 14.9 0.6 43.6 17 17 A A E > - C 0 141A 3 5,-3.0 4,-1.2 -2,-0.5 124,-0.3 -0.501 19.1-135.5 -70.1 134.1 16.8 -2.6 44.3 18 18 A R T 4 S+ 0 0 70 122,-2.6 -1,-0.1 -2,-0.2 123,-0.1 0.914 96.2 28.9 -56.8 -47.2 20.5 -2.2 43.6 19 19 A D T 4 S+ 0 0 84 121,-0.4 -1,-0.1 118,-0.3 119,-0.1 0.939 127.4 35.0 -88.7 -50.9 20.9 -5.5 41.8 20 20 A T T 4 S- 0 0 35 100,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.850 90.1-140.7 -71.3 -31.7 17.6 -6.4 40.1 21 21 A G < + 0 0 23 -4,-1.2 2,-0.1 1,-0.3 -3,-0.1 0.524 53.3 141.5 78.7 7.5 16.8 -2.8 39.4 22 22 A Y - 0 0 42 16,-0.1 -5,-3.0 -6,-0.1 2,-0.3 -0.441 42.2-138.4 -78.1 155.4 13.2 -3.5 40.3 23 23 A V E -DE 16 37A 4 14,-2.3 14,-1.8 -7,-0.2 2,-0.3 -0.820 13.4-114.4-113.3 154.6 11.1 -1.0 42.2 24 24 A I E - E 0 36A 0 -9,-1.8 -9,-0.3 -2,-0.3 2,-0.3 -0.651 29.8-166.0 -80.6 138.8 8.6 -1.4 45.0 25 25 A Y E - E 0 35A 11 10,-2.4 10,-1.0 -2,-0.3 2,-0.3 -0.920 9.7-164.7-119.6 158.4 5.0 -0.5 44.4 26 26 A S E + E 0 34A 0 18,-2.6 41,-0.2 -2,-0.3 8,-0.2 -0.893 24.6 158.2-143.2 105.8 2.1 -0.0 46.8 27 27 A R - 0 0 70 6,-2.8 56,-0.1 -2,-0.3 3,-0.0 -0.668 43.5-131.4-127.2 177.7 -1.4 -0.1 45.4 28 28 A T S S+ 0 0 69 -2,-0.2 2,-0.3 1,-0.1 5,-0.1 0.516 83.9 53.3-111.3 -9.5 -5.0 -0.7 46.5 29 29 A E S S+ 0 0 142 1,-0.2 -1,-0.1 4,-0.1 -2,-0.1 -0.947 91.7 25.9-130.8 150.4 -6.2 -3.1 43.9 30 30 A N S S- 0 0 115 -2,-0.3 -1,-0.2 -3,-0.0 -3,-0.1 0.979 91.5 -83.4 66.3 90.7 -5.1 -6.5 42.5 31 31 A P S S+ 0 0 114 0, 0.0 2,-0.1 0, 0.0 4,-0.0 -0.303 110.4 61.3 -58.9 146.2 -2.9 -8.6 45.0 32 32 A P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.405 67.6-176.0 -73.0 134.0 -0.1 -8.6 45.7 33 33 A L S S+ 0 0 48 1,-0.2 -6,-2.8 48,-0.1 2,-0.4 0.770 77.1 35.6 -72.5 -28.3 -0.8 -5.0 46.8 34 34 A V E S+E 26 0A 4 47,-0.4 2,-0.3 -8,-0.2 -1,-0.2 -0.997 84.4 118.9-124.8 125.3 2.9 -4.5 47.6 35 35 A W E -E 25 0A 80 -10,-1.0 -10,-2.4 -2,-0.4 2,-0.3 -0.897 59.9 -78.2-160.8-173.9 5.5 -6.2 45.4 36 36 A Q E -E 24 0A 12 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.690 40.8-160.9-100.0 158.8 8.4 -5.5 43.1 37 37 A Y E -E 23 0A 75 -14,-1.8 -14,-2.3 -2,-0.3 2,-0.5 -0.999 20.5-165.2-147.8 137.3 8.0 -4.3 39.5 38 38 A N + 0 0 123 -2,-0.4 -16,-0.1 -16,-0.2 -2,-0.0 -0.880 63.1 65.8-121.0 91.6 10.1 -4.2 36.3 39 39 A G S S- 0 0 41 -2,-0.5 3,-0.1 1,-0.1 -2,-0.1 -0.938 84.9 -15.5-176.8-160.6 8.3 -1.8 33.9 40 40 A P S S- 0 0 37 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.111 72.0 -93.3 -61.0 154.1 7.3 1.8 33.3 41 41 A P + 0 0 46 0, 0.0 2,-0.3 0, 0.0 5,-0.0 -0.590 52.3 175.7 -67.3 120.1 7.3 4.5 36.1 42 42 A Y > - 0 0 43 -2,-0.5 3,-1.9 -3,-0.1 4,-0.1 -0.910 41.8-111.5-125.6 157.8 3.8 4.7 37.7 43 43 A D G > S+ 0 0 31 -2,-0.3 3,-2.3 1,-0.3 22,-0.3 0.776 110.3 68.2 -60.3 -31.6 2.5 6.7 40.6 44 44 A D G 3 S+ 0 0 35 1,-0.3 -18,-2.6 21,-0.1 -1,-0.3 0.518 93.4 61.9 -71.3 -0.8 2.0 3.7 42.9 45 45 A Q G < S+ 0 0 3 -3,-1.9 2,-0.4 -20,-0.2 -30,-0.4 0.372 86.0 100.1 -95.2 -0.5 5.8 3.4 42.9 46 46 A L < + 0 0 2 -3,-2.3 19,-2.6 -32,-0.1 2,-0.3 -0.764 48.6 170.7 -96.7 132.0 6.1 6.8 44.6 47 47 A F E -BF 13 64A 0 -34,-2.7 -34,-2.1 -2,-0.4 2,-0.3 -0.893 19.6-161.1-132.2 158.5 6.7 7.2 48.3 48 48 A T E - F 0 63A 25 15,-2.1 15,-2.7 -2,-0.3 2,-0.4 -0.897 26.4-115.6-127.4 166.2 7.5 9.8 50.9 49 49 A L E - F 0 62A 2 -38,-0.4 -39,-1.1 -41,-0.4 2,-0.6 -0.867 8.6-151.4-104.0 135.6 8.9 9.3 54.4 50 50 A I E - F 0 61A 32 11,-2.5 11,-2.1 -2,-0.4 2,-0.5 -0.937 29.6-130.1 -94.8 121.1 7.2 10.2 57.7 51 51 A Y E - F 0 60A 74 -2,-0.6 9,-0.2 9,-0.2 2,-0.1 -0.620 18.4-128.5 -77.7 121.9 10.0 10.9 60.1 52 52 A G - 0 0 10 7,-2.4 6,-0.5 -2,-0.5 2,-0.3 -0.445 26.7-168.6 -68.3 139.2 9.8 9.1 63.4 53 53 A T > + 0 0 112 4,-0.2 3,-2.4 -2,-0.1 4,-0.1 -0.824 52.9 1.1-122.6 166.8 10.0 11.1 66.6 54 54 A G G > S+ 0 0 43 1,-0.3 3,-1.6 -2,-0.3 -2,-0.0 -0.402 141.8 2.6 59.7-120.7 10.3 10.1 70.2 55 55 A P G 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.649 134.3 60.5 -71.7 -13.2 10.6 6.3 70.4 56 56 A H G X S+ 0 0 41 -3,-2.4 3,-2.5 -5,-0.1 -4,-0.3 0.304 74.4 138.6 -91.0 5.7 10.4 6.3 66.6 57 57 A Q T < S+ 0 0 87 -3,-1.6 -4,-0.2 1,-0.3 3,-0.1 -0.313 74.6 16.4 -57.1 132.4 13.6 8.4 66.3 58 58 A N T 3 S+ 0 0 36 -6,-0.5 39,-0.4 1,-0.3 2,-0.3 0.472 112.0 100.9 73.7 7.4 15.8 7.0 63.5 59 59 A L < - 0 0 1 -3,-2.5 -7,-2.4 37,-0.1 -1,-0.3 -0.825 53.9-164.0-114.6 161.4 12.8 5.1 62.1 60 60 A Y E -FG 51 95A 25 35,-2.0 35,-2.6 -2,-0.3 2,-0.4 -0.991 17.3-135.4-145.3 144.1 10.5 6.1 59.2 61 61 A A E -F 50 0A 0 -11,-2.1 -11,-2.5 -2,-0.3 2,-0.7 -0.855 22.8-136.8 -99.3 144.0 7.1 5.2 57.8 62 62 A I E -F 49 0A 0 31,-0.4 9,-1.9 -2,-0.4 2,-0.4 -0.876 24.7-165.7-109.6 105.6 7.0 4.7 54.0 63 63 A K E -FH 48 70A 50 -15,-2.7 -15,-2.1 -2,-0.7 7,-0.2 -0.783 18.8-123.6-106.1 128.0 3.9 6.4 52.7 64 64 A S E > -F 47 0A 2 5,-3.2 4,-1.6 -2,-0.4 -17,-0.2 -0.472 13.0-147.8 -65.6 130.1 2.4 6.0 49.2 65 65 A V T 4 S+ 0 0 62 -19,-2.6 -1,-0.1 -22,-0.3 -18,-0.1 0.970 94.1 37.1 -62.6 -56.1 2.0 9.2 47.2 66 66 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -22,-0.1 0.876 133.4 21.4 -68.6 -37.0 -1.2 8.3 45.3 67 67 A N T 4 S- 0 0 49 -41,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.566 88.3-133.1-114.6 -10.4 -3.1 6.3 48.0 68 68 A G < + 0 0 21 -4,-1.6 18,-0.2 1,-0.2 -3,-0.1 0.339 56.3 137.5 80.3 -7.9 -1.6 7.4 51.4 69 69 A R - 0 0 72 16,-0.1 -5,-3.2 -6,-0.1 2,-0.3 -0.376 46.6-134.1 -69.4 150.5 -1.1 3.9 52.8 70 70 A V E -HI 63 84A 0 14,-3.0 14,-1.9 -7,-0.2 -7,-0.2 -0.779 21.2-107.6-103.3 152.6 2.1 3.1 54.7 71 71 A L E - I 0 83A 0 -9,-1.9 2,-0.3 -2,-0.3 12,-0.3 -0.380 29.5-163.3 -71.5 151.1 4.1 -0.1 54.2 72 72 A F E - I 0 82A 13 10,-2.5 10,-1.8 -2,-0.1 2,-0.4 -0.973 9.3-168.1-130.1 155.3 4.3 -2.9 56.7 73 73 A S E + I 0 81A 0 19,-1.5 41,-0.3 -2,-0.3 2,-0.3 -0.932 27.1 148.4-142.7 114.2 6.8 -5.7 57.1 74 74 A R - 0 0 59 6,-2.7 56,-0.1 -2,-0.4 40,-0.1 -0.861 43.5-154.1-141.4 167.0 5.8 -8.5 59.5 75 75 A T S S+ 0 0 80 -2,-0.3 3,-0.1 3,-0.1 5,-0.1 0.305 80.0 87.3-124.5 2.3 6.2 -12.3 60.1 76 76 A S S S- 0 0 102 1,-0.2 2,-0.3 4,-0.1 4,-0.1 0.873 101.8 -1.0 -70.3 -40.4 3.0 -12.7 62.2 77 77 A A S S- 0 0 46 2,-0.2 -1,-0.2 3,-0.1 -3,-0.2 -0.964 88.9 -64.3-147.4 160.9 0.7 -13.3 59.1 78 78 A S S S+ 0 0 104 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 -0.772 106.3 49.8 -91.5 140.1 0.8 -13.5 55.3 79 79 A P S S- 0 0 81 0, 0.0 -2,-0.2 0, 0.0 -5,-0.1 0.488 70.9-166.8 -76.2 148.0 1.3 -11.4 53.4 80 80 A H S S+ 0 0 74 1,-0.1 -6,-2.7 -2,-0.1 2,-0.4 0.858 77.4 41.7 -65.2 -39.3 4.6 -10.5 55.2 81 81 A V E S+I 73 0A 12 -8,-0.2 -47,-0.4 -47,-0.1 2,-0.3 -0.941 80.2 111.2-116.6 131.1 4.9 -7.3 53.2 82 82 A G E -I 72 0A 4 -10,-1.8 -10,-2.5 -2,-0.4 2,-0.3 -0.874 51.8 -89.8-166.3-160.0 1.9 -5.0 52.5 83 83 A N E -I 71 0A 15 -12,-0.3 2,-0.3 -2,-0.3 -12,-0.2 -0.898 25.2-176.3-134.3 163.8 0.2 -1.7 53.1 84 84 A I E -I 70 0A 56 -14,-1.9 -14,-3.0 -2,-0.3 4,-0.1 -0.982 33.2 -94.2-157.5 150.1 -2.3 -0.2 55.5 85 85 A A S S+ 0 0 69 -2,-0.3 4,-0.3 -16,-0.2 2,-0.2 -0.219 79.1 45.6 -63.6 155.9 -4.1 3.1 56.0 86 86 A G S S- 0 0 27 -18,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.686 91.4 -75.7 113.4-162.3 -2.7 5.7 58.4 87 87 A D S S- 0 0 96 -2,-0.2 -1,-0.1 -18,-0.1 -26,-0.1 -0.117 99.3 -47.2-133.8 32.3 0.6 7.4 59.2 88 88 A G S S+ 0 0 10 -3,-0.2 5,-0.1 -4,-0.1 -2,-0.1 0.795 75.8 154.5 103.4 40.7 2.3 4.6 61.2 89 89 A T + 0 0 106 -4,-0.3 2,-0.3 3,-0.1 -3,-0.1 0.836 63.2 61.1 -61.1 -35.5 -0.3 3.4 63.7 90 90 A Y S > S- 0 0 126 1,-0.1 3,-2.0 112,-0.0 4,-0.1 -0.712 83.8-126.7-104.2 146.7 1.3 -0.1 63.9 91 91 A N G > S+ 0 0 32 -2,-0.3 3,-1.5 1,-0.3 22,-0.4 0.840 108.9 60.9 -58.6 -36.1 4.8 -0.9 65.1 92 92 A D G 3 S+ 0 0 32 1,-0.3 -19,-1.5 21,-0.1 -1,-0.3 0.333 88.2 74.7 -77.3 8.7 5.5 -2.9 61.9 93 93 A N G < S+ 0 0 0 -3,-2.0 2,-0.5 -21,-0.2 -31,-0.4 0.381 81.3 92.1 -89.5 -0.3 5.0 0.4 59.9 94 94 A W < - 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