==== 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 4I4X . 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) . 25345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 54.8 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 42 0, 0.0 98,-2.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 131.5 1.8 -4.0 8.8 2 2 A N B -A 98 0A 18 96,-0.2 96,-0.3 1,-0.1 4,-0.0 -0.391 360.0 -92.8 -63.1 139.5 4.5 -6.0 10.6 3 3 A F - 0 0 18 94,-2.9 3,-0.4 105,-0.2 -1,-0.1 -0.347 33.7-144.8 -54.9 127.5 7.4 -7.0 8.4 4 4 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.620 87.7 55.4 -77.0 -12.3 6.5 -10.5 7.0 5 5 A N + 0 0 112 2,-0.0 138,-0.1 3,-0.0 -2,-0.1 -0.519 66.1 157.7-122.1 63.0 10.1 -11.8 7.0 6 6 A I - 0 0 29 -3,-0.4 3,-0.1 -2,-0.3 -4,-0.0 -0.718 50.1-102.6 -85.7 132.3 11.4 -11.4 10.6 7 7 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.249 41.2-101.4 -57.6 143.0 14.3 -13.7 11.4 8 8 A A > - 0 0 57 1,-0.2 3,-2.1 2,-0.1 41,-0.3 -0.243 55.7 -76.0 -58.4 151.6 13.4 -16.7 13.6 9 9 A E T 3 S+ 0 0 114 1,-0.3 -1,-0.2 39,-0.1 41,-0.1 -0.255 119.5 13.7 -54.2 130.5 14.3 -16.4 17.2 10 10 A G T 3 S+ 0 0 46 39,-1.1 2,-0.3 1,-0.3 -1,-0.3 0.250 90.7 132.0 88.2 -13.3 18.1 -16.9 17.8 11 11 A V < - 0 0 60 -3,-2.1 38,-0.3 38,-0.1 -1,-0.3 -0.568 55.9-124.9 -74.3 134.1 19.0 -16.6 14.1 12 12 A Q + 0 0 79 -2,-0.3 134,-1.6 36,-0.1 2,-0.3 -0.567 39.9 151.5 -88.3 144.1 21.9 -14.2 13.6 13 13 A F E -BC 47 145A 0 34,-2.1 34,-2.7 132,-0.2 2,-0.3 -0.979 38.5-119.2-157.9 162.8 21.8 -11.1 11.3 14 14 A R E - C 0 144A 23 130,-2.8 130,-3.1 -2,-0.3 2,-0.7 -0.803 25.4-130.7-100.7 153.3 23.2 -7.6 10.6 15 15 A L E - C 0 143A 0 30,-0.4 9,-1.6 9,-0.4 2,-0.5 -0.919 32.2-176.6-102.8 105.1 20.9 -4.6 10.4 16 16 A R E -DC 23 142A 72 126,-1.9 126,-2.6 -2,-0.7 7,-0.2 -0.896 25.5-124.6-108.8 132.5 21.7 -2.8 7.2 17 17 A A E > - C 0 141A 3 5,-2.8 4,-1.2 -2,-0.5 124,-0.3 -0.526 18.4-134.7 -71.3 135.3 20.1 0.5 6.2 18 18 A R T 4 S+ 0 0 73 122,-2.6 -1,-0.1 -2,-0.2 123,-0.1 0.926 96.3 27.4 -56.1 -49.3 18.5 0.3 2.7 19 19 A D T 4 S+ 0 0 88 121,-0.4 -1,-0.1 118,-0.3 119,-0.1 0.931 126.8 37.4 -89.1 -48.9 19.9 3.5 1.3 20 20 A T T 4 S- 0 0 30 100,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.826 89.3-141.9 -70.1 -31.2 23.2 4.3 3.1 21 21 A G < + 0 0 23 -4,-1.2 -3,-0.1 1,-0.3 2,-0.1 0.533 53.7 139.8 74.9 7.4 24.2 0.6 3.2 22 22 A Y - 0 0 49 16,-0.1 -5,-2.8 -6,-0.1 2,-0.3 -0.432 43.1-139.6 -78.3 157.6 25.6 1.2 6.7 23 23 A V E -DE 16 37A 2 14,-2.5 14,-2.1 -7,-0.2 2,-0.4 -0.829 14.7-112.7-114.4 156.6 25.2 -1.3 9.5 24 24 A I E - E 0 36A 0 -9,-1.6 -9,-0.4 -2,-0.3 2,-0.3 -0.722 30.2-167.0 -83.1 134.6 24.4 -0.9 13.2 25 25 A Y E - E 0 35A 18 10,-2.4 10,-1.3 -2,-0.4 2,-0.3 -0.878 7.7-162.1-111.9 157.6 27.1 -1.9 15.6 26 26 A S E + E 0 34A 0 18,-2.4 8,-0.2 -2,-0.3 2,-0.2 -0.881 19.6 168.4-140.4 105.0 26.7 -2.4 19.4 27 27 A R - 0 0 64 6,-2.9 56,-0.1 -2,-0.3 3,-0.0 -0.656 37.5-129.3-115.3 171.2 29.9 -2.3 21.5 28 28 A T S S+ 0 0 53 -2,-0.2 2,-0.3 3,-0.0 5,-0.1 0.461 84.8 35.3-104.2 -4.4 30.6 -2.1 25.3 29 29 A E S S+ 0 0 106 1,-0.2 -2,-0.1 4,-0.1 -1,-0.0 -0.969 89.5 44.8-144.2 159.5 33.1 0.8 25.4 30 30 A N S S- 0 0 110 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.1 0.963 89.2 -78.2 74.6 92.5 33.8 4.1 23.6 31 31 A P S S+ 0 0 120 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.365 115.7 53.4 -59.1 137.4 30.8 6.4 23.0 32 32 A P + 0 0 55 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 0.343 67.0 177.7 -81.1 131.9 28.8 6.1 20.9 33 33 A L S S+ 0 0 49 1,-0.2 -6,-2.9 48,-0.1 2,-0.5 0.822 77.6 37.2 -68.2 -33.5 28.2 2.4 22.0 34 34 A V E S+E 26 0A 2 47,-0.4 2,-0.3 -8,-0.2 -1,-0.2 -0.990 85.0 120.6-121.3 125.0 25.5 2.0 19.4 35 35 A W E -E 25 0A 83 -10,-1.3 -10,-2.4 -2,-0.5 2,-0.3 -0.895 57.1 -76.2-160.8-173.2 26.0 3.7 16.0 36 36 A Q E -E 24 0A 18 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.718 38.3-167.4-101.6 153.7 26.3 3.2 12.2 37 37 A Y E -E 23 0A 80 -14,-2.1 -14,-2.5 -2,-0.3 2,-0.6 -0.998 16.9-159.1-147.0 137.8 29.3 1.8 10.4 38 38 A N + 0 0 116 -2,-0.3 -16,-0.1 -16,-0.2 -17,-0.0 -0.934 60.7 58.9-116.6 102.8 30.5 1.6 6.8 39 39 A G S S- 0 0 33 -2,-0.6 3,-0.1 3,-0.0 -2,-0.1 -0.979 84.6 -13.3 171.0-162.9 33.2 -1.1 6.4 40 40 A P S S- 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.085 75.6 -86.8 -60.4 158.5 34.1 -4.8 6.7 41 41 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 -27,-0.0 -0.540 51.6 177.2 -69.4 126.3 31.9 -7.3 8.7 42 42 A Y > - 0 0 121 -2,-0.3 3,-1.6 -3,-0.1 4,-0.1 -0.925 39.4-111.7-128.9 157.2 32.7 -7.4 12.4 43 43 A D G > S+ 0 0 108 -2,-0.3 3,-2.1 1,-0.3 22,-0.3 0.772 109.4 65.3 -62.0 -32.2 31.1 -9.4 15.3 44 44 A D G 3 S+ 0 0 46 1,-0.3 -18,-2.4 21,-0.1 -1,-0.3 0.412 93.6 65.0 -75.6 7.1 29.6 -6.4 17.1 45 45 A Q G < S+ 0 0 2 -3,-1.6 -30,-0.4 -20,-0.2 2,-0.4 0.364 83.9 100.2 -99.0 -0.9 27.4 -5.9 14.1 46 46 A L < + 0 0 15 -3,-2.1 19,-2.6 -32,-0.1 2,-0.3 -0.752 48.1 170.0 -95.8 133.2 25.7 -9.3 14.8 47 47 A F E -BF 13 64A 0 -34,-2.7 -34,-2.1 -2,-0.4 2,-0.3 -0.903 19.3-161.6-133.8 159.9 22.3 -9.5 16.5 48 48 A T E - F 0 63A 23 15,-2.2 15,-2.6 -2,-0.3 2,-0.4 -0.864 25.8-116.0-127.9 169.6 19.6 -12.0 17.3 49 49 A L E - F 0 62A 2 -41,-0.3 -39,-1.1 -38,-0.3 2,-0.6 -0.892 8.6-152.3-109.0 139.2 16.0 -11.4 18.3 50 50 A I E - F 0 61A 33 11,-2.4 11,-2.1 -2,-0.4 2,-0.4 -0.962 29.9-128.9-100.8 121.3 14.2 -12.2 21.5 51 51 A Y E - F 0 60A 76 -2,-0.6 9,-0.2 9,-0.2 2,-0.2 -0.571 17.2-132.4 -77.1 126.1 10.6 -12.7 20.7 52 52 A G - 0 0 11 7,-2.4 6,-0.5 -2,-0.4 2,-0.3 -0.472 24.0-168.4 -73.1 145.4 8.1 -10.8 22.8 53 53 A T > - 0 0 101 4,-0.2 3,-2.5 -2,-0.2 4,-0.1 -0.871 51.7 -0.8-130.0 168.1 5.1 -12.6 24.3 54 54 A G G > S+ 0 0 37 1,-0.3 3,-1.5 -2,-0.3 -2,-0.0 -0.381 141.3 8.0 56.2-116.3 1.9 -11.5 26.1 55 55 A P G 3 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.637 136.3 53.9 -67.0 -12.5 2.0 -7.7 26.3 56 56 A R G X S+ 0 0 70 -3,-2.5 3,-2.6 -5,-0.1 -4,-0.3 0.212 73.9 139.9-106.7 13.0 5.1 -7.8 24.0 57 57 A K T < S+ 0 0 101 -3,-1.5 -4,-0.2 1,-0.3 3,-0.1 -0.389 76.4 19.2 -56.9 132.7 3.5 -9.8 21.2 58 58 A N T 3 S+ 0 0 28 -6,-0.5 39,-0.4 1,-0.3 2,-0.3 0.440 110.2 100.3 75.4 5.1 4.8 -8.4 17.9 59 59 A L < - 0 0 5 -3,-2.6 -7,-2.4 37,-0.1 -1,-0.3 -0.817 53.4-166.0-112.6 160.3 7.7 -6.7 19.7 60 60 A Y E -FG 51 95A 21 35,-1.8 35,-3.3 -2,-0.3 2,-0.4 -0.992 19.6-132.2-145.7 144.5 11.3 -7.9 19.9 61 61 A A E -F 50 0A 0 -11,-2.1 -11,-2.4 -2,-0.3 2,-0.8 -0.844 23.4-138.4 -95.1 138.4 14.5 -7.3 21.8 62 62 A I E -F 49 0A 0 31,-0.4 9,-2.0 -2,-0.4 2,-0.4 -0.876 25.2-166.3-104.0 107.5 17.5 -6.9 19.6 63 63 A K E -FH 48 70A 49 -15,-2.6 -15,-2.2 -2,-0.8 7,-0.2 -0.811 19.0-123.1-108.3 128.6 20.4 -8.7 21.3 64 64 A S E > -F 47 0A 2 5,-3.1 4,-1.5 -2,-0.4 -17,-0.3 -0.454 13.0-146.9 -65.7 130.6 24.1 -8.4 20.5 65 65 A V T 4 S+ 0 0 51 -19,-2.6 -1,-0.1 -22,-0.3 -18,-0.1 0.969 94.7 35.9 -61.1 -56.8 25.8 -11.8 19.6 66 66 A P T 4 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.891 132.9 23.4 -70.4 -37.3 29.2 -11.0 21.1 67 67 A N T 4 S- 0 0 48 -41,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.551 88.4-134.7-111.5 -9.4 28.2 -9.0 24.2 68 68 A G < + 0 0 22 -4,-1.5 18,-0.3 1,-0.2 2,-0.2 0.407 56.6 135.6 77.2 -2.9 24.7 -10.0 24.9 69 69 A R - 0 0 75 16,-0.1 -5,-3.1 -43,-0.1 2,-0.3 -0.500 47.2-134.7 -78.4 150.0 23.4 -6.5 25.5 70 70 A V E -HI 63 84A 0 14,-3.0 14,-1.9 -7,-0.2 -7,-0.2 -0.742 20.1-109.2-102.1 153.9 20.1 -5.4 24.0 71 71 A L E - I 0 83A 1 -9,-2.0 2,-0.3 -2,-0.3 -9,-0.3 -0.404 29.3-166.1 -74.9 152.3 19.3 -2.2 22.2 72 72 A F E - I 0 82A 18 10,-2.4 10,-1.9 -2,-0.1 2,-0.4 -0.975 8.7-163.7-133.3 154.6 17.2 0.6 23.6 73 73 A S E + I 0 81A 1 19,-1.7 41,-0.3 -2,-0.3 2,-0.3 -0.945 26.9 152.3-138.7 115.3 15.6 3.6 21.9 74 74 A R - 0 0 56 6,-2.9 56,-0.1 -2,-0.4 40,-0.1 -0.843 41.7-152.3-140.0 170.4 14.4 6.5 24.2 75 75 A T S S+ 0 0 85 -2,-0.3 5,-0.1 3,-0.1 3,-0.1 0.341 81.9 77.3-125.1 1.0 13.8 10.2 24.3 76 76 A S S S+ 0 0 104 1,-0.2 2,-0.3 4,-0.1 4,-0.1 0.774 101.9 6.6 -88.0 -29.4 14.2 10.9 28.1 77 77 A A S S- 0 0 41 2,-0.1 -1,-0.2 3,-0.1 -3,-0.2 -0.978 87.2 -64.2-151.1 158.5 18.0 10.8 28.4 78 78 A S S S+ 0 0 84 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 -0.752 106.8 48.0 -91.0 142.5 21.3 10.7 26.4 79 79 A P S S- 0 0 80 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.526 70.7-169.5 -74.5 147.2 22.3 8.5 24.7 80 80 A Y S S+ 0 0 66 1,-0.2 -6,-2.9 -2,-0.1 2,-0.5 0.863 80.1 37.2 -71.0 -39.2 18.9 8.2 23.0 81 81 A V E S+I 73 0A 13 -8,-0.2 -47,-0.4 -47,-0.1 2,-0.2 -0.968 86.8 118.6-115.0 128.4 20.0 5.0 21.2 82 82 A G E -I 72 0A 2 -10,-1.9 -10,-2.4 -2,-0.5 2,-0.3 -0.853 50.9 -94.3-162.0-165.3 22.1 2.6 23.3 83 83 A N E -I 71 0A 14 -12,-0.3 2,-0.3 -2,-0.2 -12,-0.2 -0.899 24.0-176.6-132.2 164.0 22.5 -0.8 24.8 84 84 A I E -I 70 0A 57 -14,-1.9 -14,-3.0 -2,-0.3 4,-0.1 -0.976 32.1-100.2-157.4 145.0 21.9 -2.4 28.2 85 85 A A S S+ 0 0 64 -2,-0.3 4,-0.3 -16,-0.3 2,-0.2 -0.211 77.0 52.2 -66.3 159.6 22.4 -5.9 29.7 86 86 A G S S- 0 0 29 -18,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.667 94.9 -73.4 113.0-167.2 19.6 -8.4 30.0 87 87 A D S S- 0 0 95 -2,-0.2 -1,-0.1 -18,-0.1 -26,-0.1 -0.075 100.9 -50.4-119.4 31.0 17.0 -9.9 27.7 88 88 A G S S+ 0 0 11 -3,-0.2 5,-0.1 -4,-0.1 -2,-0.1 0.813 75.1 163.2 99.6 46.6 14.8 -6.8 27.4 89 89 A T + 0 0 97 -4,-0.3 2,-0.3 -5,-0.1 -3,-0.1 0.827 60.9 60.3 -61.5 -33.4 14.3 -5.9 31.1 90 90 A Y S > S- 0 0 125 1,-0.1 3,-2.0 111,-0.0 4,-0.1 -0.714 84.2-123.3-108.9 150.4 13.1 -2.4 30.2 91 91 A N G > S+ 0 0 67 1,-0.3 3,-1.4 -2,-0.3 22,-0.4 0.835 109.7 58.5 -58.8 -37.3 10.1 -1.3 28.2 92 92 A D G 3 S+ 0 0 33 1,-0.3 -19,-1.7 21,-0.1 -1,-0.3 0.283 89.5 75.8 -79.9 12.1 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 0.343 78.8 94.4 -91.4 2.1 14.1 -2.4 24.9 94 94 A W < - 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