==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 27-JUN-03 1UHA . COMPND 2 MOLECULE: LECTIN-D2; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYTOLACCA AMERICANA; . AUTHOR T.FUJII,M.HAYASHIDA,M.HAMASU,M.ISHIGURO,Y.HATA . 82 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 52.4 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 . 16 19.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.4 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 2 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 . 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 A 0 0 111 0, 0.0 7,-0.0 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 129.4 2.9 21.5 31.0 2 2 A P - 0 0 60 0, 0.0 22,-0.2 0, 0.0 21,-0.1 -0.080 360.0-175.1 -43.3 136.1 5.1 18.5 29.9 3 3 A E + 0 0 95 20,-2.7 2,-0.3 1,-0.2 21,-0.2 0.463 60.4 25.7-116.3 -6.4 3.0 15.5 28.9 4 4 A a S S+ 0 0 0 19,-1.2 3,-0.5 16,-0.1 8,-0.2 -0.974 89.2 29.5-152.4 164.4 5.6 12.9 28.2 5 5 A G B > >S-A 11 0A 6 6,-2.5 5,-2.7 -2,-0.3 3,-2.2 -0.329 105.5 -25.7 87.9-166.8 9.1 11.8 29.1 6 6 A E G > 5S+ 0 0 152 1,-0.3 3,-0.6 3,-0.2 -1,-0.2 0.719 136.2 54.2 -58.5 -24.7 11.4 12.2 32.1 7 7 A R G 3 5S+ 0 0 191 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.437 107.6 50.8 -90.6 -0.6 9.5 15.3 33.1 8 8 A A G X 5S- 0 0 12 -3,-2.2 3,-1.7 3,-0.1 -3,-0.2 -0.176 124.8 -95.0-126.0 35.9 6.2 13.5 33.0 9 9 A S T < 5S- 0 0 125 -3,-0.6 -3,-0.2 1,-0.3 -2,-0.1 0.715 82.2 -56.0 58.5 23.6 7.2 10.5 35.2 10 10 A G T 3 - 0 0 6 4,-0.5 3,-0.7 -2,-0.3 6,-0.1 -0.416 39.6-110.8 -72.4 144.7 2.6 9.5 24.1 14 14 A P G > S+ 0 0 84 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.303 99.3 25.0 -70.5 159.6 -0.8 8.1 23.0 15 15 A N G 3 S- 0 0 97 1,-0.3 40,-0.1 2,-0.0 -2,-0.1 0.799 129.3 -74.9 55.1 32.2 -1.1 6.6 19.6 16 16 A G G < S+ 0 0 14 -3,-0.7 -1,-0.3 1,-0.2 39,-0.1 0.608 83.2 162.8 59.3 17.6 2.6 5.8 19.5 17 17 A K < - 0 0 82 -3,-1.7 -4,-0.5 1,-0.1 2,-0.2 -0.190 42.4 -97.3 -66.7 158.7 3.6 9.5 18.9 18 18 A c E -B 26 0B 0 8,-1.8 8,-2.1 22,-0.1 2,-0.6 -0.512 26.1-137.8 -78.2 142.8 7.1 10.7 19.5 19 19 A a E -BC 25 38B 0 19,-2.1 18,-3.2 6,-0.2 19,-0.7 -0.901 24.2-136.8-102.8 117.5 8.0 12.5 22.7 20 20 A S > - 0 0 8 4,-3.1 3,-2.0 -2,-0.6 11,-0.1 -0.126 27.6 -98.1 -68.3 167.7 10.2 15.5 22.1 21 21 A Q T 3 S+ 0 0 88 9,-0.3 -1,-0.1 13,-0.3 14,-0.1 0.803 124.8 49.9 -55.6 -29.9 13.3 16.5 24.1 22 22 A W T 3 S- 0 0 183 2,-0.1 -1,-0.3 -17,-0.0 -18,-0.1 0.317 124.4 -96.2 -96.6 9.1 11.1 19.0 26.0 23 23 A G S < S+ 0 0 0 -3,-2.0 -20,-2.7 1,-0.3 -19,-1.2 0.791 79.3 124.0 87.6 29.5 8.3 16.7 26.8 24 24 A Y - 0 0 100 -22,-0.2 -4,-3.1 -21,-0.2 2,-0.3 -0.923 55.3-120.2-123.8 150.1 5.7 17.2 24.2 25 25 A b E +B 19 0B 25 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.687 48.2 124.5 -91.2 137.8 4.0 14.8 21.8 26 26 A G E -B 18 0B 6 -8,-2.1 -8,-1.8 -2,-0.3 -13,-0.1 -0.978 52.0-132.1-171.9 178.7 4.2 15.1 18.0 27 27 A T S S+ 0 0 37 -2,-0.3 2,-0.1 -10,-0.2 -8,-0.1 0.370 70.5 99.7-127.8 -1.1 5.0 13.5 14.7 28 28 A T S >> S- 0 0 68 -10,-0.1 4,-2.5 1,-0.1 3,-2.4 -0.326 91.9 -95.7 -81.9 171.6 7.1 16.1 12.9 29 29 A D H 3> S+ 0 0 136 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.740 123.7 66.4 -58.9 -22.5 10.9 16.1 12.8 30 30 A N H 34 S+ 0 0 139 2,-0.2 -9,-0.3 1,-0.2 -1,-0.3 0.573 113.7 30.1 -76.2 -7.9 10.9 18.4 15.8 31 31 A Y H <4 S+ 0 0 79 -3,-2.4 6,-0.2 -11,-0.1 -2,-0.2 0.701 131.5 31.8-115.1 -40.8 9.4 15.6 17.9 32 32 A c H < S+ 0 0 19 -4,-2.5 -3,-0.2 -14,-0.1 -2,-0.2 0.627 111.8 69.4 -95.0 -17.0 10.8 12.5 16.3 33 33 A G S >< S- 0 0 30 -4,-1.5 3,-1.8 -5,-0.4 -3,-0.1 0.495 101.0 -8.3 -76.9-139.0 14.1 13.9 15.2 34 34 A Q T 3 S+ 0 0 181 1,-0.2 -13,-0.3 -5,-0.1 -1,-0.2 -0.353 131.9 21.4 -62.0 132.8 17.1 15.0 17.2 35 35 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.288 82.6 154.5 93.2 -10.3 16.4 15.1 20.9 36 36 A d < - 0 0 26 -3,-1.8 -1,-0.3 1,-0.1 -16,-0.2 -0.278 25.9-166.7 -55.8 131.6 13.5 12.6 20.7 37 37 A Q + 0 0 63 -18,-3.2 2,-0.3 1,-0.3 -17,-0.1 0.921 59.3 1.4 -86.5 -53.0 13.0 10.8 24.0 38 38 A S B S+C 19 0B 24 -19,-0.7 -19,-2.1 1,-0.1 -1,-0.3 -0.966 116.4 20.3-142.8 158.7 10.7 7.9 23.3 39 39 A Q > + 0 0 53 -2,-0.3 3,-0.7 -21,-0.2 -1,-0.1 0.861 68.6 153.0 52.6 42.3 8.7 6.2 20.5 40 40 A d T 3 + 0 0 44 1,-0.2 3,-0.4 -3,-0.1 -1,-0.1 0.549 54.8 71.8 -77.7 -10.5 11.0 7.9 18.0 41 41 A D T > + 0 0 88 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.056 58.7 127.8 -93.9 25.1 10.6 5.2 15.3 42 42 A Y T < S+ 0 0 12 -3,-0.7 13,-0.4 1,-0.3 -1,-0.2 0.840 75.1 42.1 -48.9 -41.9 7.0 6.4 14.6 43 43 A W T 3 S+ 0 0 85 -3,-0.4 23,-2.5 11,-0.1 2,-0.3 0.500 103.0 80.3 -88.7 -3.6 7.7 6.7 10.8 44 44 A R B < +D 65 0C 59 -3,-1.6 2,-0.3 21,-0.2 21,-0.2 -0.718 52.9 152.0-103.8 156.4 9.7 3.5 10.4 45 45 A e + 0 0 0 19,-1.6 3,-0.5 -2,-0.3 8,-0.2 -0.952 23.9 52.4-165.0 177.2 8.3 -0.0 10.1 46 46 A G B > >S-E 52 0D 4 6,-2.2 5,-2.7 -2,-0.3 3,-1.6 -0.349 99.8 -21.3 87.4-163.7 8.8 -3.5 8.7 47 47 A R G > 5S+ 0 0 202 1,-0.3 3,-0.6 4,-0.2 -1,-0.2 0.736 130.6 57.3 -58.9 -28.7 11.6 -6.0 8.9 48 48 A D G 3 5S+ 0 0 112 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.644 110.7 46.0 -78.8 -13.5 14.3 -3.5 9.7 49 49 A F G X 5S- 0 0 53 -3,-1.6 3,-1.8 3,-0.1 -1,-0.2 -0.343 128.8 -81.6-127.1 53.9 12.3 -2.4 12.8 50 50 A G T < 5S- 0 0 86 -3,-0.6 -3,-0.2 1,-0.3 -2,-0.1 0.643 82.6 -68.1 61.3 16.6 11.2 -5.6 14.5 51 51 A G T 3 S+ 0 0 68 -13,-0.4 3,-2.0 1,-0.2 -1,-0.1 -0.295 90.2 36.4 -83.8 174.8 -0.2 3.7 13.3 56 56 A E T 3 S- 0 0 92 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.753 127.9 -73.8 51.4 31.5 -3.2 5.3 11.7 57 57 A D T 3 S+ 0 0 109 -3,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.768 85.0 163.2 56.8 28.7 -3.7 2.4 9.2 58 58 A M < - 0 0 5 -3,-2.0 -4,-0.4 1,-0.1 10,-0.2 -0.473 39.1-114.5 -78.3 150.3 -0.6 3.6 7.2 59 59 A g E -F 67 0E 7 8,-2.8 8,-2.1 -2,-0.1 2,-0.7 -0.517 20.4-130.9 -80.1 151.3 1.1 1.3 4.7 60 60 A e E -FG 66 79E 0 19,-1.9 18,-3.1 6,-0.2 19,-0.7 -0.922 26.7-139.2-105.3 114.4 4.6 0.2 5.4 61 61 A S > - 0 0 5 4,-2.9 3,-2.0 -2,-0.7 11,-0.1 -0.114 26.0-101.8 -68.1 168.7 6.8 0.7 2.2 62 62 A K T 3 S+ 0 0 76 9,-0.4 -1,-0.1 13,-0.4 14,-0.1 0.715 125.1 52.2 -63.0 -20.5 9.4 -1.7 0.9 63 63 A Y T 3 S- 0 0 155 2,-0.1 -1,-0.3 -17,-0.0 -18,-0.1 0.331 124.4-101.6 -98.3 5.9 12.0 0.6 2.4 64 64 A G S < S+ 0 0 0 -3,-2.0 -19,-1.6 1,-0.3 2,-0.4 0.814 75.8 133.7 82.4 31.1 10.4 0.6 5.9 65 65 A W B -D 44 0C 123 -21,-0.2 -4,-2.9 7,-0.1 2,-0.3 -0.932 51.6-126.2-116.9 140.4 8.6 4.0 5.8 66 66 A f E +F 60 0E 6 -23,-2.5 2,-0.3 -2,-0.4 -6,-0.2 -0.649 50.0 118.2 -84.8 136.5 5.0 4.7 6.9 67 67 A G E -F 59 0E 7 -8,-2.1 -8,-2.8 -2,-0.3 -13,-0.1 -0.986 59.8-121.3-176.4-179.7 2.7 6.4 4.5 68 68 A Y + 0 0 148 -2,-0.3 -1,-0.1 -10,-0.2 -8,-0.1 0.438 69.3 111.2-118.5 -7.0 -0.5 6.5 2.4 69 69 A S S >> S- 0 0 54 1,-0.1 4,-2.3 -10,-0.1 3,-0.9 -0.151 81.5-108.1 -70.1 165.5 0.9 7.1 -1.1 70 70 A D H 3> S+ 0 0 120 1,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.850 122.1 58.1 -59.2 -34.1 0.9 4.6 -4.0 71 71 A D H 34 S+ 0 0 115 1,-0.2 -9,-0.4 2,-0.2 -1,-0.3 0.777 110.6 42.1 -68.8 -25.1 4.6 4.3 -3.4 72 72 A H H <4 S+ 0 0 47 -3,-0.9 6,-0.2 -11,-0.1 -2,-0.2 0.814 123.6 36.0 -87.3 -34.9 4.1 3.2 0.2 73 73 A g H < S+ 0 0 19 -4,-2.3 -2,-0.2 -14,-0.1 -3,-0.2 0.636 109.0 62.6 -96.0 -17.6 1.1 0.9 -0.5 74 74 A E S >< S+ 0 0 110 -4,-2.5 3,-2.7 -5,-0.2 -3,-0.1 0.361 95.3 11.7 -85.0-142.0 2.0 -0.7 -3.9 75 75 A D T 3 S+ 0 0 114 1,-0.3 -13,-0.4 -14,-0.0 -1,-0.2 0.003 132.4 7.1 -37.3 121.5 4.9 -2.9 -5.0 76 76 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.324 82.8 158.6 86.2 -8.7 6.9 -4.2 -2.1 77 77 A h < - 0 0 24 -3,-2.7 -1,-0.2 1,-0.1 -16,-0.2 -0.210 28.5-156.9 -51.3 135.6 4.6 -2.9 0.7 78 78 A Q - 0 0 67 -18,-3.1 2,-0.3 1,-0.2 -1,-0.1 0.722 61.3 -4.6 -91.0 -25.8 5.2 -4.9 3.9 79 79 A S B S+G 60 0E 20 -19,-0.7 -19,-1.9 1,-0.1 -1,-0.2 -0.987 115.2 22.7-166.2 159.2 1.9 -4.4 5.8 80 80 A Q + 0 0 62 -2,-0.3 -1,-0.1 -21,-0.2 -2,-0.1 0.874 67.7 154.7 45.6 47.3 -1.5 -2.7 5.9 81 81 A h 0 0 47 -22,-0.1 -1,-0.1 -4,-0.1 -22,-0.1 0.636 360.0 360.0 -78.9 -17.8 -1.2 -2.3 2.1 82 82 A D 0 0 199 -8,-0.0 -8,-0.0 0, 0.0 0, 0.0 -0.743 360.0 360.0-138.3 360.0 -5.0 -2.1 1.5