==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN, PLANT PROTEIN 19-FEB-08 3C9Z . COMPND 2 MOLECULE: AGGLUTININ II; . SOURCE 2 ORGANISM_SCIENTIFIC: SAMBUCUS NIGRA; . AUTHOR L.MAVEYRAUD,V.GUILLET,L.MOUREY . 257 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.6 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 . 84 32.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.6 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+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 . 10 4 6 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 1 1 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 T 0 0 121 0, 0.0 2,-0.3 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 -16.6 39.8 -11.1 18.0 2 2 A S + 0 0 72 42,-0.2 2,-0.3 43,-0.1 42,-0.2 -0.850 360.0 179.8-118.2 154.4 38.1 -8.4 16.0 3 3 A F E -A 43 0A 96 40,-1.8 40,-2.9 -2,-0.3 2,-0.4 -0.983 18.9-133.1-148.9 157.9 38.1 -4.6 16.1 4 4 A T E +A 42 0A 33 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.905 31.8 149.0-124.9 136.7 36.4 -1.9 14.0 5 5 A R E -A 41 0A 87 36,-2.5 36,-3.2 -2,-0.4 122,-0.2 -0.926 43.1-102.5-149.1 165.9 37.9 1.3 12.5 6 6 A N E -J 126 0B 5 120,-2.1 120,-2.2 -2,-0.3 2,-0.5 -0.557 29.7-135.3 -82.0 165.6 37.6 3.7 9.6 7 7 A I E -J 125 0B 0 32,-0.3 8,-2.4 8,-0.3 2,-0.4 -0.979 21.6-164.9-123.0 115.3 40.0 3.5 6.7 8 8 A V E +JK 124 14B 7 116,-2.9 116,-2.4 -2,-0.5 6,-0.2 -0.822 21.8 143.5-104.3 136.9 41.3 6.9 5.7 9 9 A G > + 0 0 0 4,-3.3 3,-2.5 -2,-0.4 163,-0.6 -0.334 40.3 26.7-140.4-140.1 43.1 7.4 2.4 10 10 A R G > S- 0 0 30 1,-0.3 3,-1.9 112,-0.2 -1,-0.3 0.018 127.1 -7.6 -41.5 126.0 43.6 9.9 -0.5 11 11 A D G 3 S- 0 0 67 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.673 124.4 -67.9 64.6 14.4 43.0 13.5 0.4 12 12 A G G < S+ 0 0 16 -3,-2.5 21,-0.4 1,-0.3 -1,-0.3 0.577 98.8 136.0 84.3 7.1 41.7 12.5 3.8 13 13 A L < - 0 0 25 -3,-1.9 -4,-3.3 -4,-0.2 2,-0.3 -0.425 48.4-120.1 -81.9 166.0 38.6 10.8 2.5 14 14 A a E -KL 8 31B 0 17,-3.1 17,-1.8 -6,-0.2 2,-0.4 -0.794 19.7-101.5-111.6 157.1 37.4 7.4 3.7 15 15 A V E + L 0 30B 0 -8,-2.4 2,-0.4 -2,-0.3 -8,-0.3 -0.565 52.2 177.2 -70.8 127.8 36.8 3.9 2.3 16 16 A D E - L 0 29B 3 13,-2.6 13,-2.5 -2,-0.4 2,-0.6 -0.986 37.8-120.5-143.0 134.8 33.0 3.8 1.9 17 17 A V E > - L 0 28B 0 21,-2.3 3,-2.5 -2,-0.4 11,-0.2 -0.696 55.7 -98.5 -79.7 120.6 30.6 1.2 0.5 18 18 A R G > S- 0 0 69 9,-2.4 3,-1.3 -2,-0.6 -1,-0.1 -0.117 94.6 -12.7 -56.5 123.8 28.9 3.2 -2.3 19 19 A N G 3 S- 0 0 101 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.535 112.2 -80.3 61.9 16.3 25.4 4.6 -1.3 20 20 A G G < S+ 0 0 31 -3,-2.5 -1,-0.3 1,-0.2 2,-0.2 0.531 85.7 152.7 74.0 7.8 25.3 2.4 1.9 21 21 A Y < - 0 0 149 -3,-1.3 -1,-0.2 1,-0.1 5,-0.0 -0.490 33.7-167.3 -74.5 133.9 24.1 -0.6 -0.2 22 22 A D + 0 0 85 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.340 43.5 131.3 -98.2 9.8 25.0 -4.0 1.1 23 23 A T S > S- 0 0 88 1,-0.1 3,-2.2 2,-0.1 46,-0.3 -0.278 72.8 -93.7 -61.9 137.5 24.1 -5.8 -2.1 24 24 A D T 3 S+ 0 0 64 1,-0.3 46,-0.2 44,-0.1 -1,-0.1 -0.227 111.5 25.0 -53.0 134.4 26.8 -8.2 -3.2 25 25 A G T 3 S+ 0 0 32 44,-3.2 -1,-0.3 1,-0.3 45,-0.1 0.371 77.7 148.8 93.7 -3.4 29.1 -6.5 -5.7 26 26 A T < - 0 0 11 -3,-2.2 43,-2.2 43,-0.4 -1,-0.3 -0.481 47.9-119.5 -65.9 133.9 28.6 -2.9 -4.5 27 27 A P B -B 68 0A 37 0, 0.0 -9,-2.4 0, 0.0 2,-0.3 -0.335 13.4-122.2 -83.0 151.3 31.9 -1.0 -5.2 28 28 A L E +L 17 0B 0 39,-2.6 82,-2.6 82,-0.3 2,-0.3 -0.646 39.0 170.5 -83.7 147.1 34.0 0.7 -2.6 29 29 A Q E -LM 16 109B 2 -13,-2.5 -13,-2.6 -2,-0.3 2,-0.4 -0.869 37.3 -92.5-140.9 172.7 34.7 4.4 -3.1 30 30 A L E +L 15 0B 0 78,-1.8 77,-3.1 75,-0.3 -15,-0.2 -0.767 48.3 161.6 -87.8 141.7 36.1 7.5 -1.4 31 31 A W E -L 14 0B 72 -17,-1.8 -17,-3.1 -2,-0.4 3,-0.1 -0.978 49.5 -77.3-153.9 151.7 33.7 9.6 0.5 32 32 A P - 0 0 64 0, 0.0 -19,-0.1 0, 0.0 -20,-0.1 -0.242 64.8 -96.8 -51.0 138.4 34.0 12.2 3.3 33 33 A a + 0 0 36 -21,-0.4 2,-0.3 96,-0.2 -17,-0.0 -0.285 60.5 136.9 -67.2 143.0 34.7 10.5 6.6 34 34 A G - 0 0 19 2,-0.2 -3,-0.0 -3,-0.1 -1,-0.0 -0.912 60.8 -92.6-161.6-170.6 31.9 9.8 9.1 35 35 A T + 0 0 124 -2,-0.3 4,-0.1 3,-0.0 5,-0.1 0.420 69.6 131.9 -96.9 1.8 30.4 7.2 11.4 36 36 A Q > - 0 0 70 1,-0.1 3,-2.3 2,-0.1 4,-0.2 -0.165 68.4-116.0 -61.1 150.6 28.0 5.6 9.1 37 37 A R G > S+ 0 0 158 1,-0.3 3,-1.3 2,-0.2 15,-0.4 0.752 111.4 65.5 -62.5 -27.8 28.1 1.8 9.0 38 38 A N G 3 S+ 0 0 21 1,-0.3 -21,-2.3 13,-0.1 -1,-0.3 0.423 105.4 46.4 -77.2 4.2 29.2 1.6 5.4 39 39 A Q G < S+ 0 0 0 -3,-2.3 2,-0.6 -23,-0.2 -32,-0.3 0.257 91.0 96.8-120.6 5.8 32.5 3.3 6.5 40 40 A R < - 0 0 44 -3,-1.3 2,-0.5 -4,-0.2 12,-0.3 -0.866 56.8-168.5-102.2 117.2 33.1 1.0 9.6 41 41 A W E -A 5 0A 0 -36,-3.2 -36,-2.5 -2,-0.6 2,-0.5 -0.941 10.0-151.5-114.8 129.4 35.4 -1.8 8.8 42 42 A T E -AC 4 50A 31 8,-2.8 8,-2.4 -2,-0.5 2,-0.4 -0.849 8.4-153.0-104.0 120.9 36.0 -4.8 11.2 43 43 A F E -AC 3 49A 20 -40,-2.9 -40,-1.8 -2,-0.5 2,-0.3 -0.841 17.3-170.7 -98.7 134.0 39.4 -6.5 11.0 44 44 A D > - 0 0 39 4,-1.6 3,-1.8 -2,-0.4 -42,-0.2 -0.780 37.5-110.3-125.7 158.3 39.4 -10.2 12.0 45 45 A S T 3 S+ 0 0 101 1,-0.3 -43,-0.1 -2,-0.3 -2,-0.0 0.625 114.9 67.8 -69.3 -10.3 42.1 -12.8 12.7 46 46 A D T 3 S- 0 0 61 2,-0.1 -1,-0.3 35,-0.0 3,-0.1 0.317 117.6-112.1 -86.4 11.1 41.1 -14.5 9.5 47 47 A D S < S+ 0 0 69 -3,-1.8 35,-2.5 1,-0.3 2,-0.2 0.638 73.7 135.0 66.5 18.9 42.5 -11.4 7.6 48 48 A T - 0 0 2 33,-0.2 -4,-1.6 -4,-0.0 2,-0.5 -0.619 46.2-150.2 -89.2 159.9 39.1 -10.3 6.3 49 49 A I E -C 43 0A 3 31,-0.4 7,-3.3 7,-0.3 2,-0.3 -0.980 24.7-167.9-132.8 117.1 38.0 -6.7 6.5 50 50 A R E -CD 42 55A 72 -8,-2.4 -8,-2.8 -2,-0.5 2,-0.4 -0.839 20.6-179.6-119.9 143.9 34.2 -6.5 6.9 51 51 A S E > S- D 0 54A 2 3,-2.0 3,-2.2 -2,-0.3 -10,-0.1 -0.997 80.2 -1.8-136.4 136.4 31.4 -3.8 6.7 52 52 A M T 3 S- 0 0 62 -15,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.785 131.3 -59.1 57.2 30.9 27.7 -4.4 7.3 53 53 A G T 3 S+ 0 0 65 1,-0.3 19,-0.4 18,-0.0 -1,-0.3 0.425 118.1 102.5 77.5 8.2 28.6 -8.1 7.8 54 54 A K E < -D 51 0A 37 -3,-2.2 -3,-2.0 17,-0.1 2,-0.4 -0.679 69.7-104.4-117.6 169.1 30.1 -8.6 4.4 55 55 A b E -DE 50 70A 0 15,-3.0 15,-1.5 -5,-0.2 2,-0.3 -0.777 20.3-117.4-101.7 140.8 33.7 -8.7 3.1 56 56 A M E - E 0 69A 0 -7,-3.3 2,-0.4 -2,-0.4 -7,-0.3 -0.523 51.0-173.1 -62.4 123.3 35.9 -6.3 1.3 57 57 A T E - E 0 68A 7 11,-3.2 11,-3.2 -2,-0.3 2,-0.6 -0.989 30.7-130.1-136.6 125.6 36.4 -8.4 -1.9 58 58 A A E - E 0 67A 4 21,-2.4 2,-1.9 -2,-0.4 9,-0.2 -0.731 19.2-144.8 -70.1 123.9 38.6 -8.1 -5.0 59 59 A N E S- E 0 66A 107 7,-3.1 7,-0.5 -2,-0.6 3,-0.1 -0.553 81.7 -16.8 -87.3 74.1 36.2 -8.6 -7.9 60 60 A G S S- 0 0 33 -2,-1.9 52,-0.1 5,-0.1 4,-0.1 -0.164 73.0-111.9 97.2 155.6 39.0 -10.3 -9.8 61 61 A L S S+ 0 0 56 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.190 74.0 111.7-118.4 37.9 42.7 -10.4 -9.0 62 62 A N S > S- 0 0 113 -3,-0.1 3,-2.5 4,-0.1 2,-0.4 -0.709 82.1 -82.4-108.5 157.8 44.0 -8.4 -12.0 63 63 A N T 3 S+ 0 0 94 1,-0.3 50,-0.2 -2,-0.2 -2,-0.1 -0.505 122.4 21.7 -58.0 120.6 45.6 -5.0 -12.3 64 64 A G T 3 S+ 0 0 32 48,-3.3 -1,-0.3 -2,-0.4 49,-0.2 0.387 86.8 150.0 96.0 -3.9 42.6 -2.6 -12.4 65 65 A S < - 0 0 12 -3,-2.5 47,-2.8 47,-0.4 -1,-0.3 -0.373 47.8-115.0 -58.8 142.2 40.1 -5.0 -10.7 66 66 A N E -FE 111 59A 63 -7,-0.5 -7,-3.1 45,-0.2 2,-0.5 -0.481 17.7-134.6 -77.7 147.9 37.4 -3.3 -8.7 67 67 A I E + E 0 58A 0 43,-2.2 -39,-2.6 -39,-0.2 43,-0.3 -0.903 36.8 165.0-102.0 134.7 37.1 -3.8 -5.0 68 68 A V E -BE 27 57A 5 -11,-3.2 -11,-3.2 -2,-0.5 2,-0.4 -0.754 40.7 -96.5-137.3 172.9 33.6 -4.5 -3.8 69 69 A I E + E 0 56A 0 -43,-2.2 -44,-3.2 -46,-0.3 -43,-0.4 -0.789 49.7 164.8 -91.2 142.3 31.5 -5.7 -0.8 70 70 A F E - E 0 55A 62 -15,-1.5 -15,-3.0 -2,-0.4 5,-0.1 -0.976 46.4 -82.0-158.6 149.7 30.5 -9.4 -1.0 71 71 A N > - 0 0 51 -2,-0.3 4,-1.9 -17,-0.2 -17,-0.1 -0.239 39.6-141.3 -49.4 127.7 29.2 -12.2 1.1 72 72 A b T 4 S+ 0 0 21 -19,-0.4 -1,-0.2 1,-0.2 8,-0.1 0.785 96.1 49.1 -67.2 -32.2 32.2 -13.7 3.0 73 73 A S T 4 S+ 0 0 107 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.814 116.8 39.3 -82.5 -28.9 31.1 -17.3 2.7 74 74 A T T 4 S+ 0 0 94 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.726 95.5 93.8 -94.6 -20.5 30.4 -17.3 -1.1 75 75 A A S < S- 0 0 15 -4,-1.9 2,-0.2 1,-0.1 5,-0.1 -0.258 92.9 -87.1 -65.6 158.0 33.3 -15.1 -2.3 76 76 A A >> - 0 0 65 -18,-0.2 3,-1.5 1,-0.1 4,-0.6 -0.457 33.9-131.1 -64.9 136.2 36.6 -16.7 -3.4 77 77 A E G >4 S+ 0 0 70 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.886 107.2 54.5 -58.8 -40.7 38.9 -17.2 -0.4 78 78 A N G 34 S+ 0 0 95 1,-0.2 16,-0.4 2,-0.2 -1,-0.3 0.636 105.6 55.3 -65.9 -19.6 41.8 -15.6 -2.2 79 79 A A G <4 S+ 0 0 7 -3,-1.5 -21,-2.4 1,-0.2 -1,-0.2 0.523 104.6 50.3 -92.1 -10.8 39.7 -12.5 -2.9 80 80 A I S << S+ 0 0 13 -3,-1.2 2,-0.4 -4,-0.6 -31,-0.4 0.356 85.3 95.8-111.8 1.1 38.8 -11.7 0.7 81 81 A K + 0 0 70 -4,-0.4 2,-0.3 -3,-0.1 13,-0.2 -0.816 47.3 171.6 -97.9 138.1 42.1 -11.8 2.5 82 82 A W - 0 0 6 -35,-2.5 2,-0.3 -2,-0.4 10,-0.2 -0.984 16.6-159.2-141.4 146.8 44.0 -8.6 3.1 83 83 A E B -G 91 0A 102 8,-2.4 8,-2.4 -2,-0.3 -2,-0.0 -0.891 14.6-138.8-121.8 165.9 47.1 -7.5 5.0 84 84 A V - 0 0 66 -2,-0.3 6,-0.2 6,-0.2 41,-0.0 -0.811 19.1-151.4-127.8 85.3 48.1 -4.0 6.2 85 85 A P > - 0 0 43 0, 0.0 3,-2.5 0, 0.0 4,-0.1 -0.190 26.8-113.8 -56.3 153.6 51.8 -3.3 5.8 86 86 A I T 3 S+ 0 0 134 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.792 113.9 65.7 -66.2 -22.0 53.4 -0.9 8.2 87 87 A D T 3 S- 0 0 23 123,-0.1 -1,-0.3 1,-0.1 36,-0.1 0.506 122.0-101.1 -80.6 3.3 54.0 1.6 5.4 88 88 A G S < S+ 0 0 0 -3,-2.5 35,-1.9 1,-0.3 -2,-0.1 0.485 76.4 135.6 96.0 8.1 50.2 2.0 5.0 89 89 A S - 0 0 1 33,-0.2 2,-0.5 -4,-0.1 -1,-0.3 -0.386 46.6-144.6 -73.9 160.0 49.5 -0.1 1.9 90 90 A I - 0 0 1 31,-0.3 9,-2.7 9,-0.2 2,-0.4 -0.973 29.4-171.1-122.5 117.3 46.5 -2.5 2.0 91 91 A I B -GH 83 98A 39 -8,-2.4 -8,-2.4 -2,-0.5 7,-0.2 -0.850 30.7-138.2-118.7 145.6 47.5 -5.5 0.0 92 92 A N > - 0 0 0 5,-2.6 4,-2.8 -2,-0.4 5,-0.4 -0.883 22.9-152.4 -92.8 113.4 45.8 -8.6 -1.3 93 93 A P T 4 S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 -11,-0.1 0.864 87.1 55.7 -60.6 -35.1 48.3 -11.4 -0.5 94 94 A S T 4 S+ 0 0 66 -16,-0.4 -15,-0.1 -13,-0.2 -12,-0.0 0.911 123.4 23.8 -62.0 -45.9 47.4 -13.8 -3.3 95 95 A S T 4 S- 0 0 40 -3,-0.3 -1,-0.2 -17,-0.2 3,-0.1 0.706 91.7-134.5 -94.9 -24.5 47.9 -11.2 -6.1 96 96 A G < + 0 0 35 -4,-2.8 19,-0.3 1,-0.3 2,-0.1 0.456 61.4 134.8 75.1 2.9 50.4 -8.7 -4.4 97 97 A L - 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