==== 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 4I4Q . 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, . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 54.1 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 . 48 32.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 1 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 . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 . 6 1 0 3 3 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 1 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 0 125 0, 0.0 98,-2.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 146.9 -20.7 25.2 12.7 2 2 A N B -A 98 0A 43 96,-0.2 96,-0.3 1,-0.1 4,-0.0 -0.365 360.0 -89.2 -64.2 146.5 -18.1 24.0 10.1 3 3 A F - 0 0 28 94,-2.8 3,-0.2 105,-0.2 -1,-0.1 -0.375 37.6-136.1 -56.8 131.4 -17.9 25.9 6.9 4 4 A P S S+ 0 0 101 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.633 90.2 51.7 -74.3 -14.3 -20.4 24.4 4.6 5 5 A N + 0 0 125 2,-0.0 138,-0.1 3,-0.0 -2,-0.1 -0.719 65.3 162.9-126.0 82.7 -18.2 24.2 1.5 6 6 A I - 0 0 29 -2,-0.4 -4,-0.0 -3,-0.2 43,-0.0 -0.847 46.1-103.0-100.1 130.0 -14.9 22.6 2.2 7 7 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 42,-0.1 -0.214 35.4-120.0 -57.6 137.0 -12.9 21.4 -0.8 8 8 A A > - 0 0 57 1,-0.2 3,-2.0 4,-0.1 41,-0.4 -0.219 47.5 -70.3 -66.7 163.4 -13.0 17.7 -1.5 9 9 A E T 3 S+ 0 0 136 1,-0.2 -1,-0.2 39,-0.1 41,-0.1 -0.299 123.0 20.6 -55.2 135.3 -9.8 15.6 -1.6 10 10 A G T 3 S+ 0 0 59 39,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.229 88.9 129.4 89.3 -13.5 -7.6 16.5 -4.6 11 11 A V < - 0 0 50 -3,-2.0 38,-0.3 38,-0.1 2,-0.3 -0.636 51.3-141.1 -79.0 124.7 -9.3 19.9 -5.2 12 12 A R + 0 0 134 -2,-0.4 134,-2.2 134,-0.3 2,-0.3 -0.646 32.1 152.4 -88.9 144.0 -6.7 22.6 -5.5 13 13 A F E -BC 47 145A 0 34,-1.9 34,-2.5 -2,-0.3 2,-0.3 -0.984 38.1-122.9-157.2 163.3 -7.2 26.1 -4.1 14 14 A R E - C 0 144A 27 130,-2.3 130,-3.0 -2,-0.3 2,-0.6 -0.773 24.5-131.0-101.5 159.1 -5.7 29.2 -2.7 15 15 A L E - C 0 143A 0 30,-0.4 9,-2.1 9,-0.4 2,-0.5 -0.963 31.3-177.2-111.0 110.0 -6.5 30.6 0.8 16 16 A R E -DC 23 142A 69 126,-1.9 126,-2.3 -2,-0.6 7,-0.2 -0.935 26.4-121.7-115.2 130.8 -7.3 34.3 0.5 17 17 A A E > - C 0 141A 3 5,-2.8 4,-1.2 -2,-0.5 124,-0.3 -0.492 18.8-133.0 -71.5 137.8 -8.1 36.6 3.4 18 18 A R T 4 S+ 0 0 74 122,-2.4 -1,-0.1 -2,-0.2 123,-0.1 0.904 97.9 23.6 -56.6 -46.1 -11.6 38.2 3.0 19 19 A D T 4 S+ 0 0 89 121,-0.4 -1,-0.1 118,-0.3 119,-0.1 0.928 126.8 40.3 -95.7 -50.0 -10.4 41.7 3.9 20 20 A S T 4 S- 0 0 19 100,-0.4 -2,-0.1 2,-0.1 -1,-0.1 0.846 88.3-145.3 -66.5 -31.7 -6.7 42.0 3.1 21 21 A G < + 0 0 24 -4,-1.2 2,-0.2 1,-0.3 -3,-0.1 0.539 52.4 135.3 74.5 6.9 -7.1 40.0 -0.1 22 22 A Y - 0 0 35 16,-0.1 -5,-2.8 -6,-0.1 2,-0.3 -0.517 47.3-134.1 -84.0 157.4 -3.6 38.5 0.5 23 23 A V E -DE 16 37A 1 14,-2.4 14,-1.9 -7,-0.2 2,-0.2 -0.808 14.3-113.1-112.2 152.9 -3.1 34.7 0.0 24 24 A I E - E 0 36A 0 -9,-2.1 -9,-0.4 -2,-0.3 2,-0.3 -0.577 32.5-167.4 -75.7 141.1 -1.2 32.2 2.2 25 25 A Y E - E 0 35A 14 10,-2.4 10,-1.1 -2,-0.2 2,-0.4 -0.949 12.9-163.5-125.3 159.5 1.9 30.7 0.7 26 26 A S E + E 0 34A 0 18,-2.5 41,-0.2 -2,-0.3 8,-0.2 -0.922 24.7 160.4-142.5 107.6 4.0 27.7 1.8 27 27 A R - 0 0 71 6,-2.7 56,-0.1 -2,-0.4 3,-0.1 -0.678 40.8-136.9-126.7 176.4 7.5 27.4 0.4 28 28 A T S S+ 0 0 66 -2,-0.2 2,-0.4 1,-0.1 3,-0.1 0.410 82.6 61.5-119.9 -0.9 10.8 25.7 1.1 29 29 A E S S+ 0 0 140 1,-0.2 -1,-0.1 4,-0.1 -2,-0.0 -0.997 93.1 15.0-128.7 135.6 13.3 28.5 0.5 30 30 A N S S- 0 0 122 -2,-0.4 -1,-0.2 -3,-0.1 -3,-0.1 0.887 89.7 -66.4 78.0 109.1 13.6 31.9 2.3 31 31 A D S S+ 0 0 142 1,-0.1 2,-0.1 -3,-0.1 4,-0.0 -0.347 112.7 49.6 -61.1 146.1 12.0 32.8 5.6 32 32 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.483 66.5-177.7 -79.0 136.6 9.2 33.2 6.3 33 33 A L S S+ 0 0 39 1,-0.2 -6,-2.7 48,-0.1 2,-0.4 0.793 78.9 35.5 -71.0 -29.5 8.4 29.8 4.8 34 34 A V E S+E 26 0A 5 47,-0.3 2,-0.2 -8,-0.2 -1,-0.2 -0.995 85.2 111.3-124.6 124.7 4.7 30.3 5.6 35 35 A W E -E 25 0A 63 -10,-1.1 -10,-2.4 -2,-0.4 2,-0.3 -0.852 62.4 -78.7-164.6-168.6 3.3 33.9 5.4 36 36 A H E -E 24 0A 8 -2,-0.2 2,-0.4 -12,-0.2 -12,-0.2 -0.776 34.8-154.9-111.2 163.1 0.9 35.9 3.2 37 37 A Y E -E 23 0A 80 -14,-1.9 -14,-2.4 -2,-0.3 2,-0.7 -0.999 12.6-156.5-143.5 136.9 1.4 37.5 -0.2 38 38 A N + 0 0 105 -2,-0.4 -16,-0.1 -16,-0.2 -17,-0.0 -0.920 65.7 52.5-111.6 98.1 -0.1 40.5 -2.1 39 39 A G S S- 0 0 33 -2,-0.7 3,-0.1 3,-0.0 -2,-0.1 -0.987 86.8 -18.4 167.9-162.0 0.5 39.8 -5.7 40 40 A P S S- 0 0 70 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.031 74.0 -78.7 -69.3 165.6 0.2 37.4 -8.7 41 41 A P + 0 0 94 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.475 48.2 174.1 -68.6 133.9 -0.4 33.7 -8.6 42 42 A Y > - 0 0 129 -2,-0.2 3,-1.9 -3,-0.1 4,-0.1 -0.954 41.9-113.9-131.4 155.3 2.6 31.4 -7.8 43 43 A D G > S+ 0 0 111 -2,-0.3 3,-2.0 1,-0.3 22,-0.3 0.750 109.4 70.5 -63.8 -24.1 2.4 27.7 -7.3 44 44 A D G 3 S+ 0 0 38 1,-0.3 -18,-2.5 21,-0.1 -1,-0.3 0.507 90.9 63.0 -74.6 1.8 3.5 27.9 -3.6 45 45 A Q G < S+ 0 0 2 -3,-1.9 2,-0.4 -20,-0.2 -30,-0.4 0.386 84.4 101.4 -97.5 -0.0 0.0 29.4 -3.0 46 46 A L < + 0 0 14 -3,-2.0 19,-2.6 -32,-0.1 2,-0.3 -0.745 47.8 168.8 -94.0 131.3 -1.7 26.2 -4.1 47 47 A F E -BF 13 64A 0 -34,-2.5 -34,-1.9 -2,-0.4 2,-0.3 -0.895 21.1-163.5-131.9 159.6 -3.0 23.7 -1.5 48 48 A T E - F 0 63A 26 15,-1.9 15,-2.5 -2,-0.3 2,-0.5 -0.889 28.0-116.7-128.0 168.5 -5.2 20.6 -1.2 49 49 A L E - F 0 62A 5 -41,-0.4 2,-0.7 -38,-0.3 -39,-0.4 -0.907 6.2-145.7-109.6 133.8 -6.7 19.2 1.9 50 50 A I E - F 0 61A 48 11,-2.5 11,-1.8 -2,-0.5 2,-0.7 -0.872 29.7-133.4 -86.3 119.3 -6.0 15.9 3.6 51 51 A H E - F 0 60A 50 -2,-0.7 9,-0.2 9,-0.2 6,-0.1 -0.672 19.1-132.2 -80.7 116.0 -9.4 14.9 5.0 52 52 A G - 0 0 8 7,-2.3 6,-0.6 -2,-0.7 2,-0.3 -0.315 24.6-173.8 -67.0 144.0 -9.0 13.7 8.6 53 53 A T > + 0 0 110 4,-0.2 3,-2.5 5,-0.1 2,-0.1 -0.806 53.5 7.9-126.7 173.4 -10.7 10.5 9.8 54 54 A G G > S+ 0 0 68 1,-0.3 3,-1.7 -2,-0.3 -2,-0.0 -0.360 140.1 3.0 59.2-123.9 -11.0 8.9 13.2 55 55 A S G 3 S+ 0 0 113 1,-0.3 -1,-0.3 -2,-0.1 -3,-0.1 0.593 137.7 55.5 -68.7 -11.4 -9.7 11.3 15.9 56 56 A R G X S+ 0 0 56 -3,-2.5 3,-2.4 -5,-0.1 -4,-0.3 0.236 74.1 140.8-103.5 9.8 -9.1 13.8 13.1 57 57 A L T < S+ 0 0 116 -3,-1.7 -4,-0.2 1,-0.3 3,-0.1 -0.346 76.0 16.2 -57.2 131.7 -12.7 13.7 11.8 58 58 A N T 3 S+ 0 0 75 -6,-0.6 39,-0.4 1,-0.4 2,-0.3 0.485 111.1 100.0 75.0 8.9 -13.7 17.3 10.8 59 59 A L < - 0 0 15 -3,-2.4 -7,-2.3 37,-0.1 -1,-0.4 -0.835 54.2-164.0-115.6 160.8 -10.1 18.4 10.8 60 60 A Y E -FG 51 95A 25 35,-2.1 35,-2.7 -2,-0.3 2,-0.4 -0.979 18.4-133.1-143.5 147.6 -7.8 18.7 7.7 61 61 A A E -F 50 0A 0 -11,-1.8 -11,-2.5 -2,-0.3 2,-0.8 -0.889 24.5-135.2-101.2 140.0 -4.2 19.0 6.9 62 62 A I E -F 49 0A 0 31,-0.4 9,-1.8 -2,-0.4 2,-0.4 -0.837 27.4-165.9-104.0 104.5 -3.3 21.8 4.5 63 63 A K E -FH 48 70A 51 -15,-2.5 -15,-1.9 -2,-0.8 7,-0.2 -0.778 18.4-123.9-106.9 127.3 -0.9 20.4 2.0 64 64 A S E > -F 47 0A 2 5,-3.1 4,-1.6 -2,-0.4 -17,-0.2 -0.443 12.0-148.2 -66.2 129.0 1.3 22.3 -0.5 65 65 A V T 4 S+ 0 0 39 -19,-2.6 -1,-0.1 -22,-0.3 -18,-0.1 0.968 94.5 36.5 -61.0 -54.7 0.8 21.3 -4.1 66 66 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -22,-0.1 0.878 133.7 21.4 -71.3 -35.1 4.4 22.0 -5.3 67 67 A N T 4 S- 0 0 46 -41,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.557 87.9-134.5-113.4 -9.6 6.3 20.8 -2.2 68 68 A G < + 0 0 21 -4,-1.6 19,-0.4 1,-0.2 18,-0.1 0.379 55.4 137.8 76.2 -6.5 4.0 18.5 -0.3 69 69 A R - 0 0 72 -6,-0.1 -5,-3.1 -43,-0.1 2,-0.3 -0.392 46.0-134.9 -68.6 152.4 4.6 20.0 3.1 70 70 A V E -HI 63 84A 0 14,-2.9 14,-1.8 -7,-0.2 -7,-0.2 -0.798 20.2-108.9-105.0 153.0 1.7 20.6 5.5 71 71 A L E - I 0 83A 1 -9,-1.8 2,-0.3 -2,-0.3 -9,-0.3 -0.385 28.5-161.8 -72.5 153.0 1.0 23.7 7.5 72 72 A F E - I 0 82A 15 10,-2.4 10,-1.6 -2,-0.1 2,-0.3 -0.973 9.1-171.1-130.5 153.3 1.4 23.9 11.3 73 73 A S E + I 0 81A 0 19,-1.8 41,-0.3 -2,-0.3 2,-0.3 -0.944 26.9 148.6-143.9 117.8 -0.0 26.3 13.8 74 74 A R - 0 0 52 6,-2.8 56,-0.1 -2,-0.3 40,-0.1 -0.850 48.5-149.6-145.1 170.3 1.2 26.1 17.4 75 75 A N S S+ 0 0 118 -2,-0.3 3,-0.1 38,-0.1 5,-0.1 0.146 84.7 82.6-126.8 15.4 2.0 27.9 20.6 76 76 A S S S+ 0 0 91 1,-0.2 2,-0.3 4,-0.1 4,-0.1 0.624 100.8 0.8 -98.7 -17.2 4.8 25.5 21.7 77 77 A A S S- 0 0 44 2,-0.1 -1,-0.2 3,-0.0 -3,-0.2 -0.976 85.8 -63.9-161.6 165.3 7.7 26.9 19.7 78 78 A S S S+ 0 0 107 -2,-0.3 2,-0.2 2,-0.1 -3,-0.0 -0.879 106.3 45.6-105.9 141.2 8.7 29.6 17.3 79 79 A P S S- 0 0 84 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.548 74.7-161.0 -71.5 153.6 7.9 30.2 14.5 80 80 A T S S+ 0 0 50 1,-0.2 -6,-2.8 -2,-0.2 2,-0.4 0.737 78.6 38.5 -78.7 -24.5 4.3 29.7 15.5 81 81 A V E S+I 73 0A 14 -8,-0.2 -47,-0.3 -47,-0.1 2,-0.3 -0.996 80.5 113.0-127.1 132.5 3.1 29.1 12.0 82 82 A G E -I 72 0A 5 -10,-1.6 -10,-2.4 -2,-0.4 2,-0.3 -0.872 52.7 -90.2-167.1-162.8 5.2 27.2 9.5 83 83 A N E +I 71 0A 14 -12,-0.3 2,-0.3 -2,-0.3 -12,-0.2 -0.891 29.4 178.0-131.7 167.2 5.4 24.0 7.4 84 84 A I E -I 70 0A 48 -14,-1.8 -14,-2.9 -2,-0.3 3,-0.3 -0.983 29.2-107.7-163.5 148.6 6.7 20.5 7.8 85 85 A V S S+ 0 0 99 -2,-0.3 4,-0.3 -16,-0.2 3,-0.1 -0.252 77.0 77.8 -68.0 166.1 6.9 17.1 5.9 86 86 A G S S- 0 0 41 -18,-0.1 -1,-0.2 1,-0.1 -17,-0.1 0.449 91.7-101.7 119.4 1.2 4.8 14.1 7.0 87 87 A D S S- 0 0 88 -19,-0.4 -1,-0.1 -3,-0.3 -2,-0.1 0.759 96.8 -34.7 55.2 30.8 1.2 14.3 5.8 88 88 A G S S+ 0 0 10 -4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.822 83.9 152.9 96.6 37.9 -0.0 15.4 9.3 89 89 A T + 0 0 93 -4,-0.3 2,-0.3 3,-0.1 -3,-0.1 0.690 61.2 62.4 -71.3 -19.6 2.3 13.5 11.6 90 90 A Y S > S- 0 0 126 1,-0.1 3,-1.9 0, 0.0 4,-0.1 -0.838 83.6-126.0-112.3 147.9 1.9 16.1 14.4 91 91 A N G > S+ 0 0 87 -2,-0.3 3,-1.4 1,-0.3 22,-0.3 0.844 109.1 60.6 -56.8 -36.5 -1.2 17.2 16.2 92 92 A D G 3 S+ 0 0 26 1,-0.3 -19,-1.8 21,-0.1 -1,-0.3 0.352 87.8 75.2 -79.5 9.7 -0.6 20.9 15.3 93 93 A N G < S+ 0 0 0 -3,-1.9 2,-0.4 -21,-0.2 -31,-0.4 0.360 80.3 92.4 -89.7 0.6 -0.9 20.0 11.6 94 94 A W < - 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