==== 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 3CA3 . COMPND 2 MOLECULE: AGGLUTININ II; . SOURCE 2 ORGANISM_SCIENTIFIC: SAMBUCUS NIGRA; . AUTHOR L.MAVEYRAUD,L.MOUREY . 257 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.6 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 . 86 33.5 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 . 23 8.9 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 . 5 1.9 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 1 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 . 9 5 5 4 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 0 145 0, 0.0 44,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 6.0 40.1 -10.9 18.0 2 2 A S E +A 44 0A 68 42,-0.2 2,-0.3 43,-0.1 42,-0.2 -0.983 360.0 178.4-130.1 153.5 38.3 -8.3 15.9 3 3 A F E -A 43 0A 97 40,-1.5 40,-3.0 -2,-0.4 2,-0.4 -0.980 18.6-134.3-146.2 158.7 38.3 -4.5 16.1 4 4 A T E +A 42 0A 34 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.901 31.3 147.2-128.1 136.4 36.6 -1.8 14.0 5 5 A R E -A 41 0A 86 36,-2.4 36,-3.3 -2,-0.4 122,-0.2 -0.931 43.8 -99.1-149.0 169.9 37.9 1.4 12.5 6 6 A N E -J 126 0B 6 120,-2.0 120,-2.0 -2,-0.3 2,-0.5 -0.541 31.0-134.2 -83.8 163.9 37.6 3.8 9.6 7 7 A I E -J 125 0B 0 32,-0.4 8,-2.4 8,-0.3 2,-0.4 -0.987 21.1-164.1-122.3 118.4 40.1 3.6 6.7 8 8 A V E +JK 124 14B 7 116,-3.1 116,-2.5 -2,-0.5 6,-0.2 -0.857 22.5 141.9-104.0 134.6 41.4 7.0 5.7 9 9 A G > + 0 0 0 4,-3.2 3,-2.7 -2,-0.4 163,-0.7 -0.362 41.7 26.0-140.1-137.9 43.2 7.5 2.3 10 10 A R G > S- 0 0 31 1,-0.3 3,-1.7 112,-0.2 -1,-0.3 0.017 127.9 -8.1 -45.4 126.4 43.7 10.0 -0.5 11 11 A D G 3 S- 0 0 64 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.619 124.2 -68.1 62.2 16.5 43.1 13.6 0.4 12 12 A G G < S+ 0 0 16 -3,-2.7 21,-0.4 1,-0.3 -1,-0.3 0.548 98.2 137.3 78.3 9.0 41.8 12.5 3.8 13 13 A L < - 0 0 29 -3,-1.7 -4,-3.2 -4,-0.2 2,-0.3 -0.387 47.9-122.0 -79.8 162.4 38.7 10.8 2.4 14 14 A a E -KL 8 31B 0 17,-3.0 17,-1.8 -6,-0.2 2,-0.4 -0.769 20.6 -99.0-112.2 156.7 37.5 7.5 3.7 15 15 A V E + L 0 30B 0 -8,-2.4 2,-0.4 -2,-0.3 -8,-0.3 -0.582 52.2 179.3 -72.0 124.8 36.9 4.0 2.2 16 16 A D E - L 0 29B 3 13,-2.6 13,-2.5 -2,-0.4 2,-0.6 -0.986 35.9-123.9-142.1 129.0 33.1 3.9 1.8 17 17 A V E > - L 0 28B 0 21,-2.3 3,-2.5 -2,-0.4 11,-0.2 -0.723 54.7 -99.6 -77.6 120.0 30.7 1.3 0.5 18 18 A R G > S- 0 0 63 9,-2.3 3,-1.5 -2,-0.6 -1,-0.1 -0.122 94.3 -10.4 -60.6 127.5 28.9 3.3 -2.3 19 19 A N G 3 S- 0 0 96 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.459 111.1 -85.0 68.3 4.0 25.5 4.6 -1.3 20 20 A G G < S+ 0 0 28 -3,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.583 84.8 151.7 70.1 12.5 25.6 2.5 1.8 21 21 A Y < - 0 0 143 -3,-1.5 -1,-0.3 1,-0.1 5,-0.0 -0.510 34.1-165.3 -73.9 142.2 24.2 -0.4 -0.1 22 22 A D + 0 0 86 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.241 44.3 126.2-107.5 7.8 25.1 -3.9 1.1 23 23 A T S > S- 0 0 93 1,-0.1 3,-1.7 2,-0.1 46,-0.3 -0.435 75.8 -87.7 -68.4 145.7 24.1 -5.9 -2.0 24 24 A D T 3 S+ 0 0 62 1,-0.3 46,-0.2 -2,-0.1 -1,-0.1 -0.222 112.8 27.0 -53.8 135.1 27.0 -8.1 -3.3 25 25 A G T 3 S+ 0 0 29 44,-3.1 -1,-0.3 1,-0.3 45,-0.1 0.405 76.2 151.8 94.8 -6.0 29.2 -6.3 -5.7 26 26 A T < - 0 0 12 -3,-1.7 43,-2.0 43,-0.4 -1,-0.3 -0.472 46.9-118.1 -63.7 121.3 28.7 -2.8 -4.5 27 27 A P B -B 68 0A 38 0, 0.0 -9,-2.3 0, 0.0 2,-0.4 -0.138 14.8-125.2 -54.5 152.1 31.9 -0.8 -5.2 28 28 A L E +L 17 0B 0 39,-2.3 82,-2.1 82,-0.3 2,-0.3 -0.841 38.9 169.0 -90.6 144.9 34.1 0.8 -2.7 29 29 A Q E -LM 16 109B 5 -13,-2.5 -13,-2.6 -2,-0.4 2,-0.4 -0.881 38.0 -92.1-143.1 170.8 34.8 4.5 -3.1 30 30 A L E +L 15 0B 0 78,-2.0 77,-3.1 75,-0.3 78,-0.2 -0.779 48.0 161.0 -85.4 139.2 36.2 7.6 -1.5 31 31 A W E -L 14 0B 75 -17,-1.8 -17,-3.0 -2,-0.4 3,-0.1 -0.982 49.9 -80.5-152.9 149.7 33.8 9.7 0.5 32 32 A P - 0 0 65 0, 0.0 -19,-0.1 0, 0.0 -20,-0.1 -0.249 64.7 -95.1 -53.8 142.0 34.2 12.3 3.3 33 33 A a + 0 0 36 -21,-0.4 2,-0.3 96,-0.2 -17,-0.0 -0.278 59.6 142.2 -70.8 141.9 34.8 10.5 6.6 34 34 A G - 0 0 18 2,-0.2 -3,-0.0 -3,-0.1 -1,-0.0 -0.918 59.3 -95.4-158.9-173.0 32.0 9.8 9.0 35 35 A T S S+ 0 0 123 -2,-0.3 5,-0.1 3,-0.0 4,-0.1 0.367 70.1 131.9 -96.5 1.5 30.6 7.3 11.5 36 36 A Q > - 0 0 69 1,-0.1 3,-2.3 2,-0.1 4,-0.2 -0.217 68.3-116.0 -59.0 148.9 28.1 5.6 9.0 37 37 A R G > S+ 0 0 157 1,-0.3 3,-1.5 2,-0.2 15,-0.4 0.752 111.7 65.2 -60.0 -28.8 28.2 1.8 9.1 38 38 A N G 3 S+ 0 0 22 1,-0.3 -21,-2.3 13,-0.1 -1,-0.3 0.340 105.0 47.8 -79.9 4.5 29.4 1.6 5.4 39 39 A Q G < S+ 0 0 0 -3,-2.3 2,-0.6 -23,-0.2 -32,-0.4 0.272 90.0 96.1-114.7 2.8 32.6 3.3 6.6 40 40 A R < - 0 0 42 -3,-1.5 2,-0.5 -4,-0.2 12,-0.3 -0.869 57.3-168.4-101.8 116.7 33.2 1.1 9.6 41 41 A W E -A 5 0A 0 -36,-3.3 -36,-2.4 -2,-0.6 2,-0.5 -0.931 9.2-152.1-113.6 126.6 35.6 -1.7 8.8 42 42 A T E -AC 4 50A 32 8,-3.0 8,-2.5 -2,-0.5 2,-0.6 -0.860 7.4-150.9-101.3 123.0 36.1 -4.7 11.1 43 43 A F E -AC 3 49A 22 -40,-3.0 -40,-1.5 -2,-0.5 2,-0.3 -0.851 17.7-167.4 -98.8 119.1 39.5 -6.4 11.0 44 44 A D E > -A 2 0A 40 4,-1.9 3,-1.8 -2,-0.6 -42,-0.2 -0.722 34.9-112.9-108.1 153.6 39.2 -10.1 11.8 45 45 A S T 3 S+ 0 0 83 -44,-0.7 -43,-0.1 -2,-0.3 -1,-0.0 0.681 112.1 71.1 -62.6 -14.1 42.0 -12.5 12.6 46 46 A D T 3 S- 0 0 56 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.312 117.4-108.3 -83.0 10.2 41.1 -14.4 9.4 47 47 A D S < S+ 0 0 73 -3,-1.8 35,-2.2 1,-0.3 2,-0.2 0.619 77.9 131.2 70.5 17.9 42.6 -11.5 7.4 48 48 A T - 0 0 2 33,-0.2 -4,-1.9 -4,-0.2 2,-0.4 -0.644 47.3-150.7 -91.9 159.6 39.2 -10.3 6.2 49 49 A I E -C 43 0A 3 31,-0.3 7,-3.3 7,-0.3 2,-0.4 -0.987 24.3-167.2-133.4 115.6 38.0 -6.6 6.4 50 50 A R E +CD 42 55A 66 -8,-2.5 -8,-3.0 -2,-0.4 2,-0.4 -0.866 21.0 179.9-119.5 144.1 34.3 -6.4 6.8 51 51 A S E > S- D 0 54A 2 3,-2.1 3,-2.3 -2,-0.4 -10,-0.1 -0.997 79.7 -1.2-136.8 137.7 31.6 -3.7 6.6 52 52 A M T 3 S- 0 0 57 -15,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.804 130.3 -59.3 53.6 35.2 27.9 -4.3 7.2 53 53 A G T 3 S+ 0 0 65 1,-0.3 19,-0.4 18,-0.0 -1,-0.3 0.435 118.8 100.2 76.2 3.7 28.6 -8.0 7.7 54 54 A K E < S-D 51 0A 40 -3,-2.3 -3,-2.1 17,-0.1 2,-0.4 -0.691 70.3-105.8-118.5 169.0 30.2 -8.5 4.3 55 55 A b E -DE 50 70A 0 15,-2.7 15,-1.5 -5,-0.2 2,-0.3 -0.759 21.3-114.3-103.6 140.1 33.8 -8.6 3.1 56 56 A M E - E 0 69A 0 -7,-3.3 2,-0.4 -2,-0.4 -7,-0.3 -0.484 51.3-171.4 -60.7 124.5 36.0 -6.2 1.2 57 57 A T E - E 0 68A 7 11,-3.2 11,-2.9 -2,-0.3 2,-0.6 -0.988 30.6-129.4-137.6 130.0 36.5 -8.3 -2.0 58 58 A A E - E 0 67A 4 21,-2.5 2,-1.8 -2,-0.4 9,-0.2 -0.701 18.2-151.2 -74.4 120.1 38.6 -8.0 -5.1 59 59 A N E S- E 0 66A 104 7,-3.4 7,-0.6 -2,-0.6 3,-0.1 -0.628 80.9 -12.7 -94.2 73.5 36.2 -8.4 -8.1 60 60 A G S S- 0 0 30 -2,-1.8 52,-0.1 5,-0.2 4,-0.1 -0.168 71.4-116.7 104.9 155.5 39.0 -9.8 -10.0 61 61 A L S S+ 0 0 59 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.188 73.4 104.6-124.5 38.3 42.7 -10.0 -9.4 62 62 A N S > S- 0 0 112 -3,-0.1 3,-2.6 4,-0.1 2,-0.4 -0.758 84.2 -76.2-114.9 163.8 44.1 -8.0 -12.4 63 63 A N T 3 S+ 0 0 96 1,-0.3 50,-0.2 -2,-0.2 -2,-0.1 -0.462 124.2 18.3 -60.1 115.1 45.6 -4.4 -12.8 64 64 A G T 3 S+ 0 0 29 48,-3.1 -1,-0.3 -2,-0.4 49,-0.2 0.343 88.4 149.6 101.8 1.2 42.6 -2.2 -12.6 65 65 A S E < -F 112 0A 14 -3,-2.6 47,-3.0 47,-0.6 -1,-0.3 -0.318 46.6-115.3 -67.3 141.5 40.2 -4.7 -11.0 66 66 A N E -FE 111 59A 64 -7,-0.6 -7,-3.4 45,-0.2 2,-0.4 -0.450 15.5-137.2 -75.2 151.2 37.5 -3.2 -8.8 67 67 A I E + E 0 58A 0 43,-1.9 -39,-2.3 -9,-0.2 2,-0.2 -0.941 34.6 162.9-109.9 135.2 37.2 -3.7 -5.1 68 68 A V E -BE 27 57A 4 -11,-2.9 -11,-3.2 -2,-0.4 2,-0.4 -0.741 41.8 -96.1-137.8 175.6 33.6 -4.3 -3.8 69 69 A I E + E 0 56A 0 -43,-2.0 -44,-3.1 -46,-0.3 -43,-0.4 -0.823 48.9 166.7 -97.3 143.7 31.7 -5.6 -0.8 70 70 A F E - E 0 55A 64 -15,-1.5 -15,-2.7 -2,-0.4 5,-0.1 -0.972 46.2 -80.0-157.1 145.5 30.6 -9.3 -1.1 71 71 A N > - 0 0 55 -2,-0.3 4,-1.9 -17,-0.2 3,-0.2 -0.233 39.7-139.8 -43.5 125.3 29.3 -12.1 1.1 72 72 A b T 4 S+ 0 0 14 -19,-0.4 -1,-0.1 1,-0.2 8,-0.1 0.757 96.7 49.1 -65.8 -30.8 32.3 -13.5 2.9 73 73 A S T 4 S+ 0 0 116 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.809 116.5 38.6 -80.8 -31.4 31.2 -17.1 2.6 74 74 A T T 4 S+ 0 0 96 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.688 95.3 91.7 -98.5 -21.5 30.4 -17.1 -1.1 75 75 A A S < S- 0 0 14 -4,-1.9 2,-0.2 1,-0.1 5,-0.1 -0.299 93.0 -87.7 -64.6 158.4 33.3 -15.0 -2.4 76 76 A A >> - 0 0 63 -18,-0.1 3,-1.1 1,-0.1 4,-0.6 -0.484 31.9-129.7 -67.4 137.0 36.5 -16.6 -3.5 77 77 A E H >> S+ 0 0 113 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.886 108.0 56.3 -58.8 -38.5 38.9 -17.0 -0.6 78 78 A N H 34 S+ 0 0 97 1,-0.3 16,-0.4 2,-0.2 3,-0.3 0.791 105.8 53.0 -62.1 -29.1 41.7 -15.4 -2.6 79 79 A A H <4 S+ 0 0 8 -3,-1.1 -21,-2.5 1,-0.2 -1,-0.3 0.585 107.6 48.2 -84.5 -16.6 39.6 -12.3 -3.1 80 80 A I H << S+ 0 0 3 -3,-1.2 2,-0.4 -4,-0.6 -31,-0.3 0.391 86.9 95.4-112.0 6.6 38.7 -11.6 0.5 81 81 A K < + 0 0 52 -4,-0.6 2,-0.3 -3,-0.3 13,-0.3 -0.791 47.8 170.7-103.2 136.1 42.1 -11.8 2.2 82 82 A W - 0 0 4 -35,-2.2 2,-0.3 -2,-0.4 10,-0.2 -0.958 19.6-154.8-139.6 154.1 44.0 -8.6 2.8 83 83 A E B -G 91 0A 90 8,-2.3 8,-2.3 -2,-0.3 -2,-0.0 -0.927 11.5-144.3-130.7 153.9 47.2 -7.5 4.7 84 84 A V - 0 0 61 -2,-0.3 6,-0.2 6,-0.2 41,-0.0 -0.821 21.2-152.9-121.6 82.7 48.0 -4.0 6.0 85 85 A P > - 0 0 47 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.175 27.4-109.8 -57.7 155.1 51.8 -3.5 5.7 86 86 A I T 3 S+ 0 0 135 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.766 114.9 64.8 -62.8 -23.4 53.4 -1.1 8.1 87 87 A D T 3 S- 0 0 25 123,-0.1 -1,-0.3 1,-0.1 122,-0.1 0.475 121.4-101.2 -81.5 2.0 54.0 1.5 5.3 88 88 A G S < S+ 0 0 0 -3,-2.3 35,-2.0 1,-0.3 -2,-0.1 0.547 75.6 136.1 96.7 6.7 50.2 2.0 4.9 89 89 A S - 0 0 2 33,-0.2 2,-0.4 -4,-0.2 -1,-0.3 -0.447 46.3-143.9 -72.6 164.6 49.5 -0.1 1.9 90 90 A I - 0 0 1 31,-0.3 9,-2.9 9,-0.3 2,-0.4 -0.969 29.4-172.3-128.3 111.3 46.4 -2.4 1.7 91 91 A I B -GH 83 98A 43 -8,-2.3 -8,-2.3 -2,-0.4 7,-0.2 -0.844 29.6-140.7-113.1 140.9 47.5 -5.4 -0.2 92 92 A N > - 0 0 0 5,-2.4 4,-2.7 -2,-0.4 5,-0.4 -0.910 20.4-153.9 -90.9 108.1 45.7 -8.5 -1.6 93 93 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.875 86.5 57.6 -57.3 -36.1 48.2 -11.2 -1.0 94 94 A S T 4 S+ 0 0 60 -16,-0.4 -15,-0.1 -13,-0.3 -16,-0.1 0.936 122.2 23.1 -59.9 -49.8 47.0 -13.5 -3.8 95 95 A S T 4 S- 0 0 36 -17,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.736 93.1-134.9 -87.2 -26.2 47.5 -10.9 -6.6 96 96 A G < + 0 0 35 -4,-2.7 19,-0.4 1,-0.3 2,-0.1 0.418 62.3 133.1 72.9 6.2 50.1 -8.7 -4.9 97 97 A L - 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