==== 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 20-FEB-08 3CAH . 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) . 11399.0 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 . 36 14.0 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 . 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 0 108 0, 0.0 44,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 173.2 40.0 -11.3 17.9 2 2 A S E +A 44 0A 74 42,-0.2 2,-0.3 43,-0.1 42,-0.2 -0.973 360.0 175.8-135.9 152.3 38.3 -8.5 16.0 3 3 A F E -A 43 0A 98 40,-1.7 40,-2.9 -2,-0.3 2,-0.4 -0.981 20.2-134.1-149.7 154.8 38.2 -4.7 16.2 4 4 A T E +A 42 0A 34 -2,-0.3 2,-0.3 38,-0.3 38,-0.2 -0.909 30.9 148.6-124.9 137.0 36.5 -2.0 14.1 5 5 A R E -A 41 0A 87 36,-2.4 36,-3.0 -2,-0.4 122,-0.2 -0.923 43.7-100.3-148.6 169.8 37.9 1.3 12.6 6 6 A N E -J 126 0B 6 120,-2.0 120,-2.1 -2,-0.3 2,-0.5 -0.559 31.0-134.2 -85.2 165.3 37.6 3.7 9.7 7 7 A I E -J 125 0B 0 32,-0.3 8,-2.5 8,-0.3 2,-0.4 -0.973 21.5-164.1-125.6 110.1 40.1 3.5 6.8 8 8 A V E +JK 124 14B 7 116,-2.9 116,-2.6 -2,-0.5 6,-0.2 -0.820 22.4 143.6 -97.7 135.1 41.4 6.9 5.8 9 9 A G > + 0 0 0 4,-3.3 3,-2.5 -2,-0.4 163,-0.6 -0.340 41.1 25.2-139.7-138.4 43.2 7.4 2.4 10 10 A R G > S- 0 0 30 1,-0.3 3,-1.8 112,-0.2 -1,-0.3 -0.010 128.1 -7.1 -45.6 129.5 43.7 9.9 -0.4 11 11 A D G 3 S- 0 0 64 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.653 124.3 -68.8 58.1 19.9 43.0 13.5 0.5 12 12 A G G < S+ 0 0 16 -3,-2.5 21,-0.4 1,-0.3 -1,-0.3 0.576 98.3 138.2 77.2 9.9 41.8 12.3 4.0 13 13 A L < - 0 0 25 -3,-1.8 -4,-3.3 -4,-0.2 2,-0.3 -0.383 47.7-120.6 -80.0 164.2 38.6 10.7 2.5 14 14 A a E -KL 8 31B 0 17,-3.0 17,-1.9 -6,-0.2 2,-0.4 -0.764 20.0-100.9-114.3 153.1 37.5 7.3 3.8 15 15 A V E + L 0 30B 0 -8,-2.5 2,-0.4 -2,-0.3 -8,-0.3 -0.608 52.1 178.6 -70.6 123.7 36.8 3.9 2.3 16 16 A D E - L 0 29B 4 13,-2.6 13,-2.5 -2,-0.4 2,-0.6 -0.983 36.2-122.3-140.6 131.4 33.1 3.8 1.9 17 17 A V E > - L 0 28B 0 21,-2.2 3,-2.4 -2,-0.4 11,-0.2 -0.719 53.9-101.1 -77.3 119.4 30.7 1.2 0.5 18 18 A R G > S- 0 0 63 9,-2.5 3,-1.5 -2,-0.6 -1,-0.1 -0.137 94.8 -8.6 -59.4 129.3 28.9 3.1 -2.3 19 19 A N G 3 S- 0 0 103 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.500 111.9 -85.8 67.7 4.5 25.4 4.4 -1.5 20 20 A G G < S+ 0 0 29 -3,-2.4 -1,-0.3 1,-0.2 2,-0.2 0.624 84.5 152.8 68.2 15.3 25.5 2.4 1.8 21 21 A Y < - 0 0 138 -3,-1.5 -1,-0.2 1,-0.1 5,-0.0 -0.543 35.7-165.1 -76.5 140.2 24.2 -0.6 -0.2 22 22 A D + 0 0 85 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.275 44.6 127.7-103.3 8.4 25.1 -4.1 1.1 23 23 A T S > S- 0 0 90 1,-0.1 3,-1.9 2,-0.1 46,-0.3 -0.376 74.8 -90.3 -65.3 142.5 24.2 -6.0 -2.0 24 24 A D T 3 S+ 0 0 63 1,-0.3 46,-0.2 44,-0.1 -1,-0.1 -0.221 112.7 27.0 -53.3 134.1 27.0 -8.3 -3.3 25 25 A G T 3 S+ 0 0 30 44,-3.0 -1,-0.3 1,-0.3 45,-0.1 0.401 76.9 151.0 93.2 -4.7 29.3 -6.5 -5.8 26 26 A T < - 0 0 11 -3,-1.9 43,-2.1 43,-0.4 -1,-0.3 -0.460 47.1-119.5 -63.1 121.3 28.7 -2.9 -4.5 27 27 A P B -B 68 0A 38 0, 0.0 -9,-2.5 0, 0.0 2,-0.3 -0.196 14.3-124.9 -58.0 152.0 31.9 -1.0 -5.2 28 28 A L E +L 17 0B 0 39,-2.4 82,-2.6 82,-0.3 2,-0.3 -0.791 38.9 168.1 -88.1 146.3 34.1 0.7 -2.6 29 29 A Q E -LM 16 109B 5 -13,-2.5 -13,-2.6 -2,-0.3 2,-0.4 -0.870 38.4 -91.4-145.2 172.6 34.8 4.4 -3.1 30 30 A L E +L 15 0B 0 78,-1.9 77,-2.9 75,-0.3 -15,-0.2 -0.802 47.9 160.1 -86.5 142.5 36.2 7.4 -1.4 31 31 A W E -L 14 0B 79 -17,-1.9 -17,-3.0 -2,-0.4 3,-0.1 -0.984 50.8 -77.9-154.8 150.6 33.7 9.6 0.6 32 32 A P - 0 0 61 0, 0.0 -19,-0.1 0, 0.0 -20,-0.1 -0.235 64.5 -96.7 -52.6 137.9 34.2 12.2 3.4 33 33 A a + 0 0 35 -21,-0.4 2,-0.3 96,-0.2 -17,-0.0 -0.267 59.9 139.4 -67.2 142.4 34.8 10.4 6.7 34 34 A G - 0 0 19 2,-0.2 -3,-0.0 -3,-0.1 -1,-0.0 -0.915 60.6 -90.9-160.1-172.4 32.0 9.7 9.1 35 35 A T S S+ 0 0 123 -2,-0.3 5,-0.1 3,-0.0 4,-0.1 0.390 70.8 130.6 -91.9 -1.1 30.4 7.2 11.5 36 36 A Q > - 0 0 68 1,-0.1 3,-2.2 2,-0.1 4,-0.2 -0.216 68.1-118.1 -60.9 148.0 28.1 5.5 9.1 37 37 A R G > S+ 0 0 157 1,-0.3 3,-1.5 2,-0.2 15,-0.4 0.756 110.4 67.2 -62.6 -26.9 28.2 1.7 9.1 38 38 A N G 3 S+ 0 0 22 1,-0.3 -21,-2.2 13,-0.1 -1,-0.3 0.371 105.0 46.2 -77.1 5.1 29.4 1.5 5.5 39 39 A Q G < S+ 0 0 0 -3,-2.2 2,-0.6 -23,-0.2 -32,-0.3 0.263 90.5 95.8-118.3 1.2 32.6 3.2 6.6 40 40 A R < - 0 0 44 -3,-1.5 2,-0.5 -4,-0.2 12,-0.3 -0.884 57.5-168.3-101.5 118.0 33.2 1.0 9.7 41 41 A W E -A 5 0A 0 -36,-3.0 -36,-2.4 -2,-0.6 2,-0.6 -0.936 9.7-150.5-115.5 124.5 35.5 -1.9 8.9 42 42 A T E -AC 4 50A 33 8,-2.8 8,-2.5 -2,-0.5 2,-0.5 -0.879 6.8-152.1-102.6 125.9 36.1 -4.8 11.2 43 43 A F E -AC 3 49A 20 -40,-2.9 -40,-1.7 -2,-0.6 2,-0.3 -0.825 16.4-170.5-100.0 119.2 39.4 -6.5 11.1 44 44 A D E > -A 2 0A 43 4,-1.8 3,-1.9 -2,-0.5 -42,-0.2 -0.769 36.8-111.1-110.9 155.1 39.3 -10.2 12.0 45 45 A S T 3 S+ 0 0 97 -44,-0.9 -43,-0.1 -2,-0.3 -2,-0.0 0.547 113.2 71.4 -66.7 -5.7 42.2 -12.6 12.7 46 46 A D T 3 S- 0 0 63 2,-0.1 -1,-0.3 35,-0.0 3,-0.1 0.314 116.6-110.7 -86.6 10.5 41.3 -14.4 9.5 47 47 A D S < S+ 0 0 63 -3,-1.9 35,-2.3 1,-0.3 2,-0.2 0.568 75.7 132.8 67.8 18.0 42.6 -11.4 7.5 48 48 A T - 0 0 3 33,-0.2 -4,-1.8 -4,-0.1 2,-0.4 -0.603 46.3-151.2 -89.2 158.3 39.2 -10.4 6.3 49 49 A I E -C 43 0A 3 31,-0.3 7,-3.3 7,-0.3 2,-0.4 -0.989 23.5-166.0-133.2 115.9 38.0 -6.7 6.5 50 50 A R E +CD 42 55A 66 -8,-2.5 -8,-2.8 -2,-0.4 2,-0.4 -0.863 21.2 178.2-118.7 142.6 34.3 -6.5 6.9 51 51 A S E > S- D 0 54A 2 3,-2.1 3,-2.1 -2,-0.4 -10,-0.1 -0.998 79.6 -1.7-137.1 137.2 31.5 -3.8 6.6 52 52 A M T 3 S- 0 0 59 -15,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.799 130.3 -59.2 54.9 32.3 27.8 -4.4 7.2 53 53 A G T 3 S+ 0 0 63 1,-0.3 19,-0.4 18,-0.0 -1,-0.3 0.475 118.7 99.9 79.3 3.3 28.6 -8.1 7.7 54 54 A K E < S-D 51 0A 38 -3,-2.1 -3,-2.1 17,-0.1 2,-0.4 -0.709 70.4-104.8-119.6 169.4 30.2 -8.6 4.3 55 55 A b E -DE 50 70A 0 15,-2.8 15,-1.6 -5,-0.2 2,-0.3 -0.771 21.4-115.0-102.3 140.1 33.8 -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 -0.510 51.6-172.6 -59.1 123.5 36.1 -6.4 1.2 57 57 A T E - E 0 68A 7 11,-3.2 11,-2.9 -2,-0.3 2,-0.5 -0.987 31.5-129.5-137.1 131.6 36.5 -8.4 -2.0 58 58 A A E - E 0 67A 4 21,-2.5 2,-1.8 -2,-0.4 9,-0.2 -0.711 18.3-149.4 -76.7 120.3 38.7 -8.2 -5.1 59 59 A N E S- E 0 66A 104 7,-3.2 7,-0.6 -2,-0.5 3,-0.1 -0.635 82.4 -13.4 -91.4 71.7 36.2 -8.6 -8.0 60 60 A G S S- 0 0 34 -2,-1.8 -1,-0.1 5,-0.1 52,-0.1 -0.135 72.5-114.1 102.3 157.3 39.1 -10.1 -9.9 61 61 A L S S+ 0 0 56 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.255 74.4 106.0-124.0 41.4 42.8 -10.3 -9.2 62 62 A N S > S- 0 0 120 -3,-0.1 3,-2.4 4,-0.1 2,-0.4 -0.765 83.0 -78.6-118.4 162.2 44.1 -8.3 -12.1 63 63 A N T 3 S+ 0 0 97 1,-0.3 50,-0.2 -2,-0.2 -2,-0.1 -0.502 122.6 18.3 -61.4 116.8 45.6 -4.7 -12.6 64 64 A G T 3 S+ 0 0 31 48,-3.4 -1,-0.3 -2,-0.4 49,-0.2 0.357 88.8 150.1 100.7 -2.2 42.6 -2.4 -12.5 65 65 A S E < -F 112 0A 18 -3,-2.4 47,-2.9 47,-0.5 -1,-0.3 -0.335 47.9-113.3 -61.6 138.7 40.2 -4.9 -10.9 66 66 A N E -FE 111 59A 64 -7,-0.6 -7,-3.2 45,-0.2 2,-0.5 -0.452 17.1-137.0 -72.7 146.9 37.4 -3.3 -8.8 67 67 A I E + E 0 58A 0 43,-2.0 -39,-2.4 -9,-0.2 43,-0.3 -0.930 36.0 164.1-105.5 132.4 37.2 -3.8 -5.0 68 68 A V E -BE 27 57A 4 -11,-2.9 -11,-3.2 -2,-0.5 2,-0.4 -0.713 41.4 -97.9-136.3 170.9 33.7 -4.5 -3.8 69 69 A I E + E 0 56A 0 -43,-2.1 -44,-3.0 -46,-0.3 -43,-0.4 -0.859 49.1 166.4 -91.6 146.7 31.7 -5.8 -0.8 70 70 A F E - E 0 55A 63 -15,-1.6 -15,-2.8 -2,-0.4 5,-0.1 -0.979 46.3 -79.0-158.6 148.7 30.7 -9.4 -1.1 71 71 A N > - 0 0 51 -2,-0.3 4,-1.9 -17,-0.2 3,-0.5 -0.202 40.0-140.3 -46.7 125.0 29.3 -12.3 1.1 72 72 A b T 4 S+ 0 0 22 -19,-0.4 -1,-0.2 1,-0.2 8,-0.1 0.751 97.0 48.8 -68.0 -27.7 32.3 -13.6 3.0 73 73 A S T 4 S+ 0 0 107 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.682 116.4 39.6 -89.6 -19.5 31.3 -17.3 2.7 74 74 A T T 4 S+ 0 0 95 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.639 94.9 93.3-101.2 -20.2 30.6 -17.3 -1.1 75 75 A A S < S- 0 0 17 -4,-1.9 2,-0.2 1,-0.1 5,-0.1 -0.293 93.5 -88.0 -65.6 157.8 33.5 -15.1 -2.3 76 76 A A >> - 0 0 65 -18,-0.2 3,-1.1 1,-0.1 4,-0.6 -0.498 34.1-129.3 -65.8 135.4 36.7 -16.7 -3.4 77 77 A E G >4 S+ 0 0 64 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.870 107.8 54.7 -56.2 -42.5 39.0 -17.2 -0.4 78 78 A N G >4 S+ 0 0 91 1,-0.2 3,-0.5 2,-0.2 16,-0.4 0.814 104.8 55.7 -59.1 -31.7 41.9 -15.5 -2.2 79 79 A A G <4 S+ 0 0 8 -3,-1.1 -21,-2.5 1,-0.2 -1,-0.2 0.555 105.9 48.6 -84.2 -10.7 39.8 -12.4 -3.0 80 80 A I G << S+ 0 0 15 -3,-1.3 2,-0.4 -4,-0.6 -31,-0.3 0.339 85.8 98.7-113.2 4.8 38.8 -11.7 0.7 81 81 A K < + 0 0 83 -3,-0.5 2,-0.3 -4,-0.5 13,-0.2 -0.804 46.4 170.1 -98.3 137.2 42.2 -11.8 2.4 82 82 A W - 0 0 4 -35,-2.3 2,-0.3 -2,-0.4 10,-0.2 -0.983 16.4-161.8-142.7 145.4 44.1 -8.6 3.1 83 83 A E B -G 91 0A 99 8,-2.3 8,-2.3 -2,-0.3 -2,-0.0 -0.873 16.9-134.5-127.3 167.0 47.1 -7.5 5.0 84 84 A V - 0 0 68 -2,-0.3 6,-0.2 6,-0.2 4,-0.0 -0.811 19.2-150.4-125.9 84.8 48.2 -4.1 6.2 85 85 A P > - 0 0 43 0, 0.0 3,-2.4 0, 0.0 4,-0.1 -0.181 26.4-115.0 -54.6 150.3 51.9 -3.3 5.6 86 86 A I T 3 S+ 0 0 135 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 0.750 113.4 65.1 -63.3 -24.8 53.5 -1.0 8.1 87 87 A D T 3 S- 0 0 22 123,-0.1 -1,-0.3 1,-0.1 122,-0.1 0.454 123.5 -99.3 -78.0 2.2 54.0 1.6 5.4 88 88 A G S < S+ 0 0 0 -3,-2.4 35,-2.2 1,-0.3 -2,-0.2 0.566 76.7 136.6 96.9 6.9 50.2 2.0 5.0 89 89 A S - 0 0 2 33,-0.2 2,-0.4 -4,-0.1 -1,-0.3 -0.408 46.4-143.8 -71.8 163.8 49.5 -0.1 2.0 90 90 A I - 0 0 1 31,-0.3 9,-2.7 9,-0.3 2,-0.4 -0.971 30.1-170.8-127.0 113.7 46.5 -2.5 2.0 91 91 A I B -GH 83 98A 41 -8,-2.3 -8,-2.3 -2,-0.4 7,-0.2 -0.848 29.6-140.6-114.4 143.9 47.5 -5.5 0.0 92 92 A N > - 0 0 0 5,-2.6 4,-2.5 -2,-0.4 5,-0.4 -0.889 22.5-153.1 -93.6 111.1 45.8 -8.6 -1.4 93 93 A P T 4 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.839 85.7 56.1 -62.3 -34.2 48.4 -11.3 -0.7 94 94 A S T 4 S+ 0 0 68 -16,-0.4 -15,-0.1 -13,-0.2 -16,-0.0 0.925 123.4 24.4 -61.8 -45.7 47.5 -13.7 -3.5 95 95 A S T 4 S- 0 0 40 -3,-0.2 -1,-0.2 -17,-0.2 3,-0.1 0.694 92.0-134.8 -89.3 -26.2 47.9 -11.1 -6.2 96 96 A G < + 0 0 35 -4,-2.5 19,-0.3 1,-0.3 2,-0.1 0.451 60.4 134.9 74.6 3.1 50.3 -8.7 -4.6 97 97 A L - 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