==== 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 3CA5 . 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) . 11418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.4 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 . 85 33.1 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 . 21 8.2 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 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 0 147 0, 0.0 44,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 2.3 40.4 -10.9 17.9 2 2 A S + 0 0 70 42,-0.2 2,-0.3 43,-0.1 42,-0.2 -0.981 360.0 174.9-128.4 151.8 38.4 -8.4 15.9 3 3 A F E -A 43 0A 100 40,-1.4 40,-3.0 -2,-0.3 2,-0.4 -0.973 20.1-133.4-150.3 157.2 38.3 -4.6 16.1 4 4 A T E +A 42 0A 35 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.923 30.7 149.0-126.8 139.7 36.6 -1.9 14.0 5 5 A R E -A 41 0A 87 36,-2.5 36,-3.1 -2,-0.4 122,-0.2 -0.917 43.6-100.4-150.3 168.5 37.9 1.3 12.5 6 6 A N E -J 126 0B 6 120,-1.9 120,-2.1 -2,-0.3 2,-0.5 -0.531 31.3-135.0 -82.9 166.7 37.6 3.7 9.6 7 7 A I E -J 125 0B 0 32,-0.3 8,-2.6 8,-0.3 2,-0.4 -0.969 21.0-163.5-125.7 113.6 40.1 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 -0.814 22.5 144.0 -99.0 137.9 41.4 7.0 5.7 9 9 A G > + 0 0 0 4,-3.1 3,-2.6 -2,-0.4 163,-0.6 -0.308 41.1 26.7-142.3-138.5 43.2 7.6 2.3 10 10 A R G > S- 0 0 32 1,-0.3 3,-1.9 112,-0.2 -1,-0.3 0.029 128.0 -8.9 -46.0 127.1 43.6 10.0 -0.5 11 11 A D G 3 S- 0 0 67 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.647 123.9 -68.2 59.3 18.8 43.0 13.7 0.5 12 12 A G G < S+ 0 0 15 -3,-2.6 21,-0.4 1,-0.3 -1,-0.3 0.553 98.3 136.4 82.4 5.9 41.7 12.5 3.9 13 13 A L < - 0 0 28 -3,-1.9 -4,-3.1 -4,-0.2 2,-0.3 -0.433 48.7-121.9 -82.3 165.2 38.6 10.9 2.5 14 14 A a E -KL 8 31B 0 17,-3.0 17,-1.8 -6,-0.2 2,-0.4 -0.769 20.3 -99.4-113.2 158.9 37.5 7.4 3.8 15 15 A V E + L 0 30B 0 -8,-2.6 2,-0.4 -2,-0.3 -8,-0.3 -0.559 52.3 178.2 -75.1 124.4 36.9 4.0 2.2 16 16 A D E - L 0 29B 4 13,-2.6 13,-2.5 -2,-0.4 2,-0.6 -0.991 36.4-120.6-141.0 131.9 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 -0.691 54.8 -98.8 -77.6 119.4 30.7 1.2 0.4 18 18 A R G > S- 0 0 71 9,-2.4 3,-1.6 -2,-0.6 -1,-0.1 -0.099 95.9 -9.1 -55.8 131.5 28.9 3.1 -2.3 19 19 A N G 3 S- 0 0 99 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.413 110.6 -86.7 68.4 1.1 25.4 4.5 -1.4 20 20 A G G < S+ 0 0 28 -3,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.606 86.2 150.9 65.4 16.5 25.6 2.5 1.8 21 21 A Y < - 0 0 149 -3,-1.6 -1,-0.3 -4,-0.1 5,-0.0 -0.532 35.5-163.1 -75.3 144.3 24.1 -0.4 -0.2 22 22 A D + 0 0 84 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.250 42.9 128.5-110.5 11.7 25.1 -4.0 1.0 23 23 A T S > S- 0 0 93 1,-0.1 3,-1.8 2,-0.1 46,-0.3 -0.381 74.3 -88.1 -67.1 147.3 24.2 -6.0 -2.1 24 24 A D T 3 S+ 0 0 63 1,-0.3 46,-0.2 44,-0.1 -1,-0.1 -0.302 114.0 26.6 -54.1 133.4 27.0 -8.3 -3.4 25 25 A G T 3 S+ 0 0 29 44,-3.3 -1,-0.3 1,-0.3 45,-0.1 0.381 76.5 150.9 94.7 -2.1 29.3 -6.5 -5.8 26 26 A T < - 0 0 12 -3,-1.8 43,-2.1 43,-0.4 -1,-0.3 -0.459 46.6-121.6 -69.3 121.1 28.7 -2.9 -4.5 27 27 A P B -B 68 0A 42 0, 0.0 -9,-2.4 0, 0.0 41,-0.3 -0.350 13.7-123.2 -64.0 148.3 32.0 -1.0 -5.2 28 28 A L E +L 17 0B 0 39,-2.5 82,-2.5 82,-0.3 2,-0.3 -0.614 38.9 169.7 -86.1 146.7 34.1 0.8 -2.6 29 29 A Q E -LM 16 109B 5 -13,-2.5 -13,-2.6 80,-0.3 2,-0.4 -0.892 37.6 -91.6-143.3 172.4 34.7 4.5 -3.2 30 30 A L E +L 15 0B 0 78,-2.1 77,-3.1 75,-0.3 -15,-0.2 -0.774 48.0 160.9 -86.5 142.3 36.1 7.5 -1.4 31 31 A W E -L 14 0B 77 -17,-1.8 -17,-3.0 -2,-0.4 3,-0.1 -0.981 50.5 -79.7-154.9 148.4 33.7 9.7 0.6 32 32 A P - 0 0 68 0, 0.0 -19,-0.1 0, 0.0 -20,-0.1 -0.244 64.9 -95.1 -52.6 141.6 34.1 12.3 3.3 33 33 A a + 0 0 35 -21,-0.4 2,-0.3 96,-0.2 -17,-0.0 -0.291 59.9 141.9 -69.2 143.0 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 -0.915 59.8 -94.5-161.2-174.5 31.9 9.7 9.0 35 35 A T S S+ 0 0 123 -2,-0.3 4,-0.1 3,-0.0 5,-0.1 0.407 70.4 132.3 -92.8 0.3 30.4 7.2 11.5 36 36 A Q > - 0 0 70 1,-0.1 3,-2.3 2,-0.1 4,-0.2 -0.202 67.5-117.5 -58.3 147.5 28.0 5.5 9.0 37 37 A R G > S+ 0 0 157 1,-0.3 3,-1.5 2,-0.2 15,-0.4 0.760 112.0 64.8 -60.3 -27.9 28.2 1.7 9.0 38 38 A N G 3 S+ 0 0 20 1,-0.3 -21,-2.3 13,-0.1 -1,-0.3 0.356 104.7 48.0 -78.9 2.3 29.4 1.5 5.4 39 39 A Q G < S+ 0 0 0 -3,-2.3 2,-0.6 -23,-0.2 -32,-0.3 0.265 90.9 95.1-112.3 2.2 32.6 3.3 6.6 40 40 A R < - 0 0 42 -3,-1.5 2,-0.5 -4,-0.2 12,-0.4 -0.877 58.0-169.0-102.5 118.8 33.2 1.0 9.6 41 41 A W E -A 5 0A 0 -36,-3.1 -36,-2.5 -2,-0.6 2,-0.5 -0.921 9.6-152.7-115.4 126.7 35.6 -1.8 8.8 42 42 A T E -AC 4 50A 33 8,-2.8 8,-2.6 -2,-0.5 2,-0.6 -0.870 7.4-150.8-103.6 123.6 36.1 -4.8 11.1 43 43 A F E -AC 3 49A 22 -40,-3.0 -40,-1.4 -2,-0.5 2,-0.2 -0.861 18.4-166.5-100.1 116.3 39.5 -6.5 10.9 44 44 A D > - 0 0 39 4,-2.0 3,-1.5 -2,-0.6 -42,-0.2 -0.674 33.7-111.7-102.5 160.8 39.2 -10.2 11.8 45 45 A S T 3 S+ 0 0 78 -44,-0.4 -43,-0.1 1,-0.3 -1,-0.1 0.802 113.0 68.9 -63.2 -26.3 42.0 -12.7 12.6 46 46 A D T 3 S- 0 0 64 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.230 118.7-107.5 -73.5 8.4 41.2 -14.6 9.3 47 47 A D S < S+ 0 0 66 -3,-1.5 35,-2.3 1,-0.3 2,-0.2 0.604 77.7 132.8 71.7 16.9 42.6 -11.5 7.4 48 48 A T - 0 0 6 33,-0.2 -4,-2.0 -4,-0.1 2,-0.5 -0.600 46.6-150.5 -90.1 159.4 39.2 -10.4 6.1 49 49 A I E -C 43 0A 3 31,-0.3 7,-3.4 7,-0.3 2,-0.3 -0.980 24.7-167.3-131.7 118.4 38.1 -6.7 6.4 50 50 A R E +CD 42 55A 65 -8,-2.6 -8,-2.8 -2,-0.5 2,-0.4 -0.840 20.4 179.4-121.6 142.4 34.3 -6.5 6.8 51 51 A S E > S+ D 0 54A 2 3,-2.3 3,-2.3 -2,-0.3 -10,-0.1 -0.997 78.6 0.3-136.5 141.0 31.6 -3.9 6.6 52 52 A M T 3 S- 0 0 57 -15,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.799 130.8 -60.0 53.0 32.3 27.9 -4.4 7.1 53 53 A G T 3 S+ 0 0 64 1,-0.3 19,-0.4 18,-0.0 -1,-0.3 0.503 118.4 99.7 78.3 3.0 28.6 -8.1 7.7 54 54 A K E < S-D 51 0A 39 -3,-2.3 -3,-2.3 17,-0.1 2,-0.4 -0.740 71.0-102.1-118.6 169.0 30.2 -8.6 4.3 55 55 A b E -DE 50 70A 0 15,-2.8 15,-1.5 -2,-0.3 -5,-0.2 -0.740 21.4-116.5-100.4 136.6 33.8 -8.8 3.0 56 56 A M E - E 0 69A 0 -7,-3.4 2,-0.4 -2,-0.4 -7,-0.3 -0.487 51.7-171.6 -56.6 124.1 36.1 -6.4 1.2 57 57 A T E - E 0 68A 8 11,-3.0 11,-2.7 -2,-0.2 2,-0.6 -0.991 32.2-127.7-137.9 131.0 36.6 -8.4 -2.0 58 58 A A E - E 0 67A 5 21,-2.4 2,-1.8 -2,-0.4 9,-0.2 -0.703 19.4-152.6 -72.9 119.5 38.7 -8.2 -5.1 59 59 A N E S- E 0 66A 100 7,-3.2 7,-0.6 -2,-0.6 2,-0.1 -0.617 81.6 -12.7 -94.4 72.6 36.2 -8.5 -8.0 60 60 A G S S- 0 0 35 -2,-1.8 52,-0.1 5,-0.2 4,-0.1 -0.158 72.5-118.1 105.0 152.5 39.0 -9.9 -10.1 61 61 A L S S+ 0 0 59 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.170 72.6 104.0-122.2 41.7 42.7 -10.1 -9.4 62 62 A N S > S- 0 0 122 4,-0.1 3,-2.5 50,-0.1 2,-0.3 -0.742 84.9 -73.9-114.4 164.3 44.2 -8.0 -12.4 63 63 A N T 3 S+ 0 0 98 1,-0.3 50,-0.2 -2,-0.2 -2,-0.1 -0.428 125.4 18.8 -59.3 114.0 45.7 -4.5 -12.8 64 64 A G T 3 S+ 0 0 29 48,-3.1 -1,-0.3 1,-0.3 49,-0.2 0.372 88.3 151.0 104.9 -2.4 42.6 -2.2 -12.6 65 65 A S E < -F 112 0A 20 -3,-2.5 47,-3.1 47,-0.6 -1,-0.3 -0.323 46.2-114.5 -62.5 139.6 40.2 -4.8 -11.0 66 66 A N E -FE 111 59A 64 -7,-0.6 -7,-3.2 45,-0.2 2,-0.5 -0.451 16.0-138.9 -72.5 149.5 37.5 -3.3 -8.8 67 67 A I E + E 0 58A 0 43,-1.8 -39,-2.5 -9,-0.2 43,-0.2 -0.952 35.1 162.8-109.0 134.5 37.2 -3.8 -5.1 68 68 A V E -BE 27 57A 3 -11,-2.7 -11,-3.0 -2,-0.5 2,-0.4 -0.747 42.0 -95.9-136.6 174.6 33.6 -4.4 -3.8 69 69 A I E + E 0 56A 0 -43,-2.1 -44,-3.3 -46,-0.3 -43,-0.4 -0.824 48.6 167.7 -93.8 144.7 31.7 -5.8 -0.8 70 70 A F E - E 0 55A 65 -15,-1.5 -15,-2.8 -2,-0.4 5,-0.1 -0.974 46.0 -80.7-157.3 145.4 30.6 -9.4 -1.2 71 71 A N > - 0 0 51 -2,-0.3 4,-2.0 -17,-0.2 3,-0.3 -0.192 41.2-138.9 -43.1 123.6 29.2 -12.2 1.0 72 72 A b T 4 S+ 0 0 19 -19,-0.4 -1,-0.1 1,-0.2 8,-0.1 0.790 96.6 47.0 -65.8 -30.3 32.3 -13.6 3.0 73 73 A S T 4 S+ 0 0 108 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.709 116.8 41.7 -89.8 -18.1 31.3 -17.3 2.7 74 74 A T T 4 S+ 0 0 94 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.734 94.7 90.3 -98.2 -24.3 30.5 -17.3 -1.0 75 75 A A S < S- 0 0 16 -4,-2.0 2,-0.2 1,-0.1 5,-0.1 -0.266 93.1 -89.0 -64.4 158.3 33.4 -15.1 -2.3 76 76 A A >> - 0 0 66 -18,-0.2 3,-1.3 1,-0.1 4,-0.7 -0.490 31.7-128.0 -67.2 136.2 36.6 -16.8 -3.4 77 77 A E H >> S+ 0 0 64 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.876 109.1 54.7 -53.3 -44.3 39.1 -17.2 -0.5 78 78 A N H 34 S+ 0 0 95 1,-0.3 16,-0.5 2,-0.2 3,-0.3 0.762 106.1 54.4 -59.6 -26.6 41.9 -15.5 -2.5 79 79 A A H <4 S+ 0 0 9 -3,-1.3 -21,-2.4 1,-0.2 -1,-0.3 0.621 108.1 46.0 -87.9 -15.4 39.7 -12.5 -3.1 80 80 A I H << S+ 0 0 17 -3,-1.2 2,-0.4 -4,-0.7 -31,-0.3 0.374 86.9 96.6-111.7 5.6 38.8 -11.7 0.6 81 81 A K < + 0 0 85 -4,-0.6 2,-0.3 -3,-0.3 13,-0.3 -0.813 48.3 171.1-100.3 134.5 42.2 -11.9 2.3 82 82 A W - 0 0 5 -35,-2.3 2,-0.3 -2,-0.4 10,-0.2 -0.950 18.4-155.0-137.4 152.8 44.1 -8.6 2.8 83 83 A E B -G 91 0A 98 8,-2.4 8,-2.2 -2,-0.3 -2,-0.0 -0.933 10.9-143.7-127.7 158.2 47.2 -7.5 4.7 84 84 A V - 0 0 50 -2,-0.3 6,-0.2 6,-0.2 41,-0.0 -0.803 19.9-154.5-122.3 83.5 48.1 -4.0 6.1 85 85 A P > - 0 0 46 0, 0.0 3,-2.4 0, 0.0 4,-0.1 -0.207 28.2-112.3 -59.2 155.0 51.8 -3.4 5.7 86 86 A I T 3 S+ 0 0 134 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.746 113.9 66.3 -63.9 -22.4 53.5 -1.0 8.1 87 87 A D T 3 S- 0 0 23 123,-0.1 -1,-0.3 1,-0.1 122,-0.1 0.452 121.3-101.7 -80.0 2.9 54.1 1.6 5.2 88 88 A G S < S+ 0 0 1 -3,-2.4 35,-2.1 1,-0.3 -2,-0.1 0.516 75.5 136.7 93.8 6.0 50.3 2.0 4.9 89 89 A S - 0 0 3 33,-0.2 2,-0.5 -4,-0.1 -1,-0.3 -0.398 45.7-145.3 -71.6 163.7 49.5 -0.1 1.8 90 90 A I - 0 0 0 31,-0.3 9,-3.0 9,-0.3 2,-0.4 -0.965 29.4-172.7-127.5 112.7 46.5 -2.4 1.7 91 91 A I B -GH 83 98A 43 -8,-2.2 -8,-2.4 -2,-0.5 7,-0.2 -0.848 30.4-141.0-115.1 142.8 47.5 -5.4 -0.3 92 92 A N > - 0 0 0 5,-2.4 4,-2.6 -2,-0.4 5,-0.4 -0.908 21.7-154.0 -94.3 109.6 45.7 -8.5 -1.6 93 93 A P T 4 S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -11,-0.1 0.855 85.9 58.9 -58.9 -33.2 48.3 -11.2 -1.0 94 94 A S T 4 S+ 0 0 61 -16,-0.5 -15,-0.1 -13,-0.3 -16,-0.1 0.925 121.8 22.9 -63.0 -46.7 47.1 -13.5 -3.8 95 95 A S T 4 S- 0 0 37 -3,-0.3 -1,-0.2 -17,-0.2 3,-0.1 0.677 93.4-134.6 -90.7 -23.0 47.6 -11.0 -6.6 96 96 A G < + 0 0 35 -4,-2.6 19,-0.4 1,-0.3 2,-0.1 0.440 62.2 132.9 70.7 6.0 50.1 -8.7 -4.9 97 97 A L - 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