==== 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 3CA6 . COMPND 2 MOLECULE: AGGLUTININ II; . SOURCE 2 ORGANISM_SCIENTIFIC: SAMBUCUS NIGRA; . AUTHOR L.MAVEYRAUD,L.MOUREY . 258 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.6 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 33.3 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 8.1 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 0 149 0, 0.0 44,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 163.6 40.4 -11.3 17.7 2 2 A S E +A 44 0A 67 42,-0.2 2,-0.3 43,-0.1 42,-0.2 -0.990 360.0 179.8-139.8 152.0 38.7 -8.4 15.9 3 3 A F E -A 43 0A 96 40,-1.6 40,-3.2 -2,-0.3 2,-0.4 -0.953 20.3-131.0-146.9 155.7 38.6 -4.7 16.1 4 4 A T E +A 42 0A 35 -2,-0.3 2,-0.3 38,-0.3 38,-0.2 -0.927 32.4 148.7-121.5 137.0 36.8 -2.0 14.0 5 5 A R E -A 41 0A 87 36,-2.4 36,-3.1 -2,-0.4 122,-0.2 -0.932 43.4-103.0-151.1 165.1 38.2 1.3 12.5 6 6 A N E -J 126 0B 6 120,-1.8 120,-2.0 -2,-0.3 2,-0.5 -0.578 31.4-134.3 -82.9 166.6 37.8 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 -0.980 20.9-164.3-125.6 112.3 40.4 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 -0.818 22.3 142.7 -99.8 137.7 41.7 6.9 5.7 9 9 A G > + 0 0 0 4,-3.2 3,-2.6 -2,-0.4 163,-0.6 -0.341 42.2 27.0-143.0-139.1 43.5 7.4 2.4 10 10 A R G > S- 0 0 30 1,-0.3 3,-1.9 110,-0.2 -1,-0.3 -0.026 127.9 -8.2 -47.7 127.3 44.0 9.9 -0.4 11 11 A D G 3 S- 0 0 63 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.614 123.9 -69.0 60.0 20.9 43.3 13.5 0.5 12 12 A G G < S+ 0 0 17 -3,-2.6 21,-0.4 1,-0.3 -1,-0.3 0.584 97.4 138.6 74.9 14.0 42.1 12.3 3.9 13 13 A L < - 0 0 30 -3,-1.9 -4,-3.2 -4,-0.2 2,-0.3 -0.422 47.5-119.5 -82.0 166.5 39.0 10.7 2.5 14 14 A a E -KL 8 31B 0 17,-3.0 17,-1.8 -6,-0.2 2,-0.3 -0.797 19.7-102.3-114.2 151.6 37.7 7.3 3.8 15 15 A V E + L 0 30B 0 -8,-2.4 2,-0.4 -2,-0.3 -8,-0.3 -0.535 51.6 178.7 -70.3 120.6 37.1 3.9 2.3 16 16 A D E - L 0 29B 3 13,-2.5 13,-2.6 -2,-0.3 2,-0.6 -0.994 36.1-122.0-137.9 130.5 33.4 3.7 1.9 17 17 A V E > - L 0 28B 0 21,-2.3 3,-2.6 -2,-0.4 11,-0.2 -0.687 54.9 -99.0 -74.9 119.9 30.9 1.1 0.5 18 18 A R G > S- 0 0 62 9,-2.3 3,-1.5 -2,-0.6 -1,-0.1 -0.112 93.7 -12.7 -55.7 126.9 29.2 3.0 -2.3 19 19 A N G 3 S- 0 0 85 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.497 111.0 -83.0 63.0 8.6 25.8 4.4 -1.3 20 20 A G G < S+ 0 0 28 -3,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.621 85.8 151.4 72.7 8.9 25.7 2.3 1.8 21 21 A Y < - 0 0 146 -3,-1.5 -1,-0.2 1,-0.1 5,-0.0 -0.493 35.4-164.4 -74.6 144.2 24.5 -0.6 -0.2 22 22 A D + 0 0 84 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.278 42.8 130.2-111.7 9.9 25.4 -4.1 0.9 23 23 A T S > S- 0 0 90 1,-0.1 3,-2.1 2,-0.1 46,-0.3 -0.397 74.1 -91.2 -59.2 140.5 24.5 -6.1 -2.3 24 24 A D T 3 S+ 0 0 70 1,-0.3 46,-0.2 -2,-0.1 -1,-0.1 -0.247 114.3 28.0 -51.9 131.6 27.3 -8.3 -3.4 25 25 A G T 3 S+ 0 0 30 44,-3.0 -1,-0.3 1,-0.3 45,-0.1 0.397 75.8 150.0 93.4 -1.7 29.6 -6.5 -5.8 26 26 A T < - 0 0 11 -3,-2.1 43,-2.1 43,-0.4 -1,-0.3 -0.508 46.7-124.9 -62.0 117.8 29.0 -3.0 -4.5 27 27 A P B -B 68 0A 34 0, 0.0 -9,-2.3 0, 0.0 2,-0.3 -0.244 12.4-119.9 -63.5 157.9 32.3 -1.1 -5.1 28 28 A L E +L 17 0B 0 39,-2.1 82,-2.1 82,-0.3 2,-0.3 -0.805 38.8 171.9 -90.6 145.7 34.4 0.7 -2.6 29 29 A Q E -LM 16 109B 5 -13,-2.6 -13,-2.5 -2,-0.3 2,-0.4 -0.869 36.5 -93.1-141.1 173.0 35.0 4.4 -3.1 30 30 A L E +L 15 0B 0 78,-1.9 77,-3.0 75,-0.3 -15,-0.2 -0.763 48.6 159.3 -87.6 141.1 36.5 7.5 -1.4 31 31 A W E -L 14 0B 43 -17,-1.8 -17,-3.0 -2,-0.4 3,-0.1 -0.981 50.7 -77.9-155.3 152.6 34.0 9.6 0.6 32 32 A P - 0 0 66 0, 0.0 -19,-0.1 0, 0.0 2,-0.1 -0.209 64.2 -96.7 -55.7 136.4 34.4 12.2 3.3 33 33 A a + 0 0 34 -21,-0.4 2,-0.3 96,-0.2 -17,-0.0 -0.331 60.5 140.4 -65.1 142.3 35.0 10.4 6.6 34 34 A G - 0 0 20 2,-0.1 -3,-0.0 -3,-0.1 -1,-0.0 -0.869 59.3 -93.4-159.6-173.4 32.1 9.8 8.9 35 35 A T + 0 0 124 -2,-0.3 5,-0.1 -29,-0.0 -2,-0.1 0.380 69.2 131.4 -96.5 -1.3 30.6 7.3 11.3 36 36 A Q > - 0 0 60 1,-0.1 3,-2.4 2,-0.1 4,-0.3 -0.215 68.4-116.1 -57.4 149.0 28.3 5.5 9.0 37 37 A R G > S+ 0 0 155 1,-0.3 3,-1.4 2,-0.2 15,-0.4 0.755 111.4 66.0 -63.0 -29.9 28.5 1.8 9.1 38 38 A N G 3 S+ 0 0 21 1,-0.2 -21,-2.3 13,-0.1 -1,-0.3 0.407 103.4 49.1 -75.6 6.0 29.7 1.5 5.4 39 39 A Q G < S+ 0 0 0 -3,-2.4 2,-0.6 -23,-0.2 -32,-0.3 0.291 90.3 96.1-117.5 5.1 32.9 3.2 6.6 40 40 A R < - 0 0 46 -3,-1.4 2,-0.5 -4,-0.3 12,-0.3 -0.850 56.8-169.7-102.7 119.6 33.4 0.9 9.6 41 41 A W E -A 5 0A 0 -36,-3.1 -36,-2.4 -2,-0.6 2,-0.6 -0.943 10.6-150.4-118.3 125.9 35.8 -1.9 8.8 42 42 A T E -AC 4 50A 40 8,-2.9 8,-2.4 -2,-0.5 2,-0.5 -0.860 8.8-154.1-103.7 121.3 36.4 -4.8 11.1 43 43 A F E -AC 3 49A 20 -40,-3.2 -40,-1.6 -2,-0.6 2,-0.3 -0.831 16.5-169.8 -96.6 122.1 39.8 -6.4 11.0 44 44 A D E > -A 2 0A 50 4,-2.0 3,-1.9 -2,-0.5 -42,-0.2 -0.823 37.8-111.9-112.3 161.2 39.9 -10.1 12.0 45 45 A S T 3 S+ 0 0 90 -44,-1.2 -43,-0.1 -2,-0.3 -1,-0.1 0.697 112.8 68.3 -53.5 -23.8 42.6 -12.6 12.7 46 46 A D T 3 S- 0 0 56 -45,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.304 116.8-109.7 -81.8 6.5 41.6 -14.5 9.5 47 47 A D S < S+ 0 0 68 -3,-1.9 35,-2.6 1,-0.3 2,-0.2 0.581 76.3 131.9 72.2 17.8 43.0 -11.5 7.4 48 48 A T - 0 0 3 33,-0.2 -4,-2.0 -4,-0.1 2,-0.4 -0.608 46.9-151.8 -91.7 159.5 39.6 -10.4 6.3 49 49 A I E -C 43 0A 3 31,-0.4 7,-3.3 7,-0.3 2,-0.4 -0.992 24.3-168.6-133.2 113.9 38.4 -6.8 6.4 50 50 A R E +CD 42 55A 83 -8,-2.4 -8,-2.9 -2,-0.4 2,-0.4 -0.864 20.6 177.1-121.3 142.0 34.6 -6.5 6.8 51 51 A S E > S+ D 0 54A 3 3,-2.2 3,-2.1 -2,-0.4 -10,-0.1 -0.996 79.1 1.8-137.5 139.6 31.9 -3.9 6.6 52 52 A M T 3 S- 0 0 59 -15,-0.4 3,-0.1 -2,-0.4 -14,-0.1 0.780 130.3 -60.9 54.4 32.1 28.2 -4.5 7.0 53 53 A G T 3 S+ 0 0 65 1,-0.3 19,-0.4 18,-0.0 -1,-0.3 0.446 118.3 99.4 77.1 3.7 28.9 -8.2 7.7 54 54 A K E < S-D 51 0A 37 -3,-2.1 -3,-2.2 17,-0.1 2,-0.4 -0.703 70.5-104.7-116.7 171.8 30.5 -8.7 4.3 55 55 A b E -DE 50 70A 0 15,-2.7 15,-1.3 -2,-0.2 -5,-0.2 -0.790 21.1-114.8-109.8 137.2 34.1 -8.8 3.1 56 56 A M E - E 0 69A 0 -7,-3.3 2,-0.4 -2,-0.4 -7,-0.3 -0.480 50.8-171.9 -57.2 125.8 36.3 -6.4 1.2 57 57 A T E - E 0 68A 8 11,-2.9 11,-2.8 -2,-0.2 2,-0.5 -0.989 32.2-129.7-139.0 129.1 36.9 -8.5 -2.0 58 58 A A E - E 0 67A 4 21,-2.4 2,-1.8 -2,-0.4 9,-0.2 -0.727 20.4-151.9 -76.3 119.7 39.1 -8.3 -5.0 59 59 A N E S- E 0 66A 104 7,-3.2 7,-0.6 -2,-0.5 2,-0.1 -0.654 81.9 -10.0 -97.9 70.7 36.5 -8.7 -7.9 60 60 A G S S- 0 0 32 -2,-1.8 -1,-0.1 5,-0.1 52,-0.1 -0.096 72.8-120.4 108.9 154.9 39.3 -10.0 -9.8 61 61 A L S S+ 0 0 50 -3,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.269 71.9 99.0-127.8 45.4 43.0 -10.2 -9.2 62 62 A N S > S- 0 0 122 50,-0.1 3,-2.3 1,-0.0 50,-0.2 -0.835 86.8 -70.8-121.9 168.4 44.7 -8.2 -12.2 63 63 A N T 3 S+ 0 0 99 1,-0.3 50,-0.2 -2,-0.2 -2,-0.1 -0.352 124.9 19.9 -60.3 126.7 46.0 -4.5 -12.5 64 64 A G T 3 S+ 0 0 31 48,-2.8 -1,-0.3 1,-0.3 49,-0.2 0.424 88.9 150.2 93.2 -3.4 42.9 -2.3 -12.5 65 65 A S E < -F 112 0A 20 -3,-2.3 47,-2.9 47,-0.6 -1,-0.3 -0.381 47.5-112.9 -61.4 146.0 40.5 -4.9 -10.9 66 66 A N E -FE 111 59A 66 -7,-0.6 -7,-3.2 45,-0.2 2,-0.5 -0.395 16.8-139.2 -79.0 149.2 37.8 -3.5 -8.8 67 67 A I E + E 0 58A 0 43,-1.6 -39,-2.1 -9,-0.2 2,-0.2 -0.959 35.1 163.7-109.3 132.3 37.5 -3.9 -5.0 68 68 A V E -BE 27 57A 4 -11,-2.8 -11,-2.9 -2,-0.5 2,-0.4 -0.720 41.5 -97.6-136.5 171.2 34.0 -4.6 -3.8 69 69 A I E + E 0 56A 0 -43,-2.1 -44,-3.0 -46,-0.3 -43,-0.4 -0.837 48.7 166.3 -92.7 144.2 32.0 -5.9 -0.8 70 70 A F E - E 0 55A 62 -15,-1.3 -15,-2.7 -2,-0.4 5,-0.1 -0.974 45.4 -79.8-158.8 145.8 30.9 -9.5 -1.1 71 71 A N > - 0 0 53 -2,-0.3 4,-1.6 -17,-0.2 3,-0.2 -0.208 39.3-139.2 -44.5 132.4 29.6 -12.3 1.1 72 72 A b T 4 S+ 0 0 23 -19,-0.4 -1,-0.1 1,-0.2 -18,-0.1 0.682 96.6 48.3 -75.8 -25.7 32.5 -13.8 3.1 73 73 A S T 4 S+ 0 0 106 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.775 117.0 39.8 -85.4 -29.7 31.5 -17.4 2.7 74 74 A T T 4 S+ 0 0 92 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.653 94.0 93.2 -97.4 -14.5 30.9 -17.4 -1.0 75 75 A A S < S- 0 0 16 -4,-1.6 2,-0.2 1,-0.1 5,-0.1 -0.349 92.4 -89.0 -73.5 157.9 33.7 -15.2 -2.2 76 76 A A >> - 0 0 59 1,-0.1 3,-1.6 2,-0.1 4,-0.6 -0.488 34.5-128.4 -60.7 135.1 37.0 -16.8 -3.3 77 77 A E H >> S+ 0 0 67 1,-0.3 3,-1.4 -2,-0.2 4,-0.6 0.898 107.1 52.6 -58.2 -42.1 39.3 -17.2 -0.3 78 78 A N H 34 S+ 0 0 73 1,-0.3 16,-0.4 2,-0.2 -1,-0.3 0.608 105.4 57.0 -76.1 -4.9 42.3 -15.6 -2.1 79 79 A A H <4 S+ 0 0 7 -3,-1.6 -21,-2.4 1,-0.1 -1,-0.3 0.579 106.5 47.4 -95.0 -13.7 40.1 -12.6 -2.9 80 80 A I H << S+ 0 0 10 -3,-1.4 2,-0.4 -4,-0.6 -31,-0.4 0.377 87.7 97.2-110.6 4.6 39.2 -11.8 0.7 81 81 A K < + 0 0 73 -4,-0.6 2,-0.3 -33,-0.1 13,-0.3 -0.804 47.5 171.3 -98.9 134.7 42.5 -11.9 2.4 82 82 A W - 0 0 5 -35,-2.6 2,-0.3 -2,-0.4 10,-0.2 -0.971 17.0-160.1-138.8 147.1 44.4 -8.7 3.0 83 83 A E B -G 91 0A 99 8,-2.4 8,-2.2 -2,-0.3 -2,-0.0 -0.886 14.8-138.1-125.9 163.4 47.5 -7.6 4.9 84 84 A V - 0 0 66 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.784 17.8-150.1-126.0 84.4 48.5 -4.2 6.1 85 85 A P > - 0 0 47 0, 0.0 3,-2.3 0, 0.0 4,-0.1 -0.177 26.0-114.3 -52.1 152.5 52.2 -3.4 5.6 86 86 A I T 3 S+ 0 0 136 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 0.735 113.1 65.3 -65.2 -26.1 53.8 -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 0.432 123.5 -98.8 -77.0 1.1 54.4 1.6 5.4 88 88 A G S < S+ 0 0 1 -3,-2.3 35,-1.6 1,-0.3 -2,-0.2 0.452 77.1 136.4 100.7 0.0 50.6 2.0 5.0 89 89 A S - 0 0 2 33,-0.2 2,-0.5 -4,-0.1 -1,-0.3 -0.420 45.4-145.7 -67.8 160.4 49.8 -0.2 2.0 90 90 A I - 0 0 0 31,-0.3 9,-2.6 9,-0.3 2,-0.4 -0.977 28.5-172.0-125.7 114.3 46.9 -2.5 1.9 91 91 A I B -GH 83 98A 40 -8,-2.2 -8,-2.4 -2,-0.5 7,-0.2 -0.841 30.6-139.2-115.2 143.4 47.9 -5.6 -0.1 92 92 A N > - 0 0 0 5,-2.8 4,-2.5 -2,-0.4 5,-0.3 -0.882 23.5-153.3 -91.5 108.9 46.1 -8.7 -1.4 93 93 A P T 4 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 -11,-0.1 0.864 86.2 57.3 -58.8 -33.2 48.8 -11.4 -0.7 94 94 A S T 4 S+ 0 0 73 -16,-0.4 -15,-0.1 -13,-0.3 -16,-0.1 0.937 122.7 23.1 -62.6 -48.6 47.7 -13.8 -3.5 95 95 A S T 4 S- 0 0 40 -17,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.682 93.1-133.2 -89.3 -25.9 48.2 -11.2 -6.3 96 96 A G < + 0 0 35 -4,-2.5 19,-0.4 1,-0.3 2,-0.1 0.465 61.3 134.0 79.9 1.3 50.6 -8.8 -4.7 97 97 A L - 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