==== 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 3CA1 . 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) . 11396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.2 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 . 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 . 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 0 142 0, 0.0 44,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 1.3 40.2 -10.7 18.1 2 2 A S E +A 44 0A 67 42,-0.2 2,-0.3 43,-0.1 42,-0.2 -0.984 360.0 177.5-129.2 152.7 38.3 -8.3 16.0 3 3 A F E -A 43 0A 97 40,-1.6 40,-3.0 -2,-0.3 2,-0.4 -0.982 19.1-133.9-147.6 157.7 38.3 -4.5 16.2 4 4 A T E +A 42 0A 35 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.898 31.4 148.2-127.6 136.1 36.5 -1.8 14.1 5 5 A R E -A 41 0A 88 36,-2.5 36,-3.2 -2,-0.4 122,-0.2 -0.930 43.9-100.0-147.7 171.2 37.9 1.4 12.6 6 6 A N E -J 126 0B 5 120,-2.1 120,-1.9 -2,-0.3 2,-0.5 -0.517 31.7-134.2 -86.8 164.5 37.5 3.8 9.7 7 7 A I E -J 125 0B 0 32,-0.3 8,-2.4 8,-0.3 2,-0.4 -0.974 20.8-163.3-125.2 112.5 40.0 3.6 6.8 8 8 A V E +JK 124 14B 7 116,-3.0 116,-2.5 -2,-0.5 6,-0.2 -0.829 22.7 142.4 -99.1 133.7 41.4 7.0 5.7 9 9 A G > + 0 0 0 4,-3.1 3,-2.5 -2,-0.4 163,-0.7 -0.331 41.8 25.8-138.5-136.4 43.2 7.5 2.4 10 10 A R G > S- 0 0 30 1,-0.3 3,-1.9 112,-0.2 -1,-0.3 0.021 127.9 -8.1 -50.0 129.0 43.6 9.9 -0.5 11 11 A D G 3 S- 0 0 63 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.652 124.8 -67.4 59.7 18.3 43.0 13.6 0.4 12 12 A G G < S+ 0 0 16 -3,-2.5 21,-0.4 1,-0.3 -1,-0.3 0.557 98.4 138.9 78.3 12.0 41.7 12.4 3.9 13 13 A L < - 0 0 25 -3,-1.9 -4,-3.1 -4,-0.2 -1,-0.3 -0.496 46.7-122.4 -85.5 156.6 38.6 10.8 2.4 14 14 A a E -KL 8 31B 0 17,-2.7 17,-1.9 -6,-0.2 2,-0.4 -0.658 20.3-100.5-107.6 156.1 37.5 7.4 3.8 15 15 A V E + L 0 30B 0 -8,-2.4 2,-0.4 -2,-0.2 -8,-0.3 -0.611 51.8 178.3 -71.2 122.9 36.8 4.0 2.3 16 16 A D E - L 0 29B 3 13,-2.6 13,-2.6 -2,-0.4 2,-0.6 -0.989 36.4-123.1-140.7 128.9 33.0 3.9 1.9 17 17 A V E > - L 0 28B 0 21,-2.1 3,-2.4 -2,-0.4 11,-0.2 -0.703 54.7 -99.2 -76.1 119.9 30.7 1.2 0.5 18 18 A R G > S- 0 0 64 9,-2.5 3,-1.6 -2,-0.6 -1,-0.1 -0.127 95.5 -9.1 -58.4 128.8 28.9 3.2 -2.3 19 19 A N G 3 S- 0 0 95 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.419 111.5 -85.6 68.2 3.5 25.4 4.6 -1.4 20 20 A G G < S+ 0 0 29 -3,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.614 85.5 151.4 67.9 15.6 25.5 2.5 1.8 21 21 A Y < - 0 0 144 -3,-1.6 -1,-0.3 1,-0.1 5,-0.0 -0.541 37.1-162.4 -76.5 141.6 24.2 -0.4 -0.1 22 22 A D + 0 0 84 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.244 43.8 132.4-106.0 12.7 25.1 -3.9 1.1 23 23 A T S > S- 0 0 91 1,-0.1 3,-2.1 2,-0.1 46,-0.3 -0.332 72.0 -92.9 -61.6 135.1 24.2 -5.7 -2.1 24 24 A D T 3 S+ 0 0 65 1,-0.3 46,-0.2 44,-0.1 -1,-0.1 -0.255 112.8 26.1 -49.9 135.3 26.9 -8.2 -3.3 25 25 A G T 3 S+ 0 0 30 44,-2.9 -1,-0.3 1,-0.3 45,-0.1 0.404 77.9 151.4 92.6 -4.0 29.2 -6.4 -5.7 26 26 A T < - 0 0 11 -3,-2.1 43,-2.2 43,-0.4 -1,-0.3 -0.482 46.8-118.7 -64.9 122.3 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 -0.309 14.3-124.6 -61.1 144.8 31.9 -0.9 -5.2 28 28 A L E +L 17 0B 0 39,-2.7 82,-2.5 82,-0.3 2,-0.3 -0.662 39.1 170.0 -82.5 146.7 34.1 0.8 -2.6 29 29 A Q E -LM 16 109B 5 -13,-2.6 -13,-2.6 -2,-0.3 2,-0.4 -0.882 37.7 -92.6-144.6 169.0 34.7 4.5 -3.1 30 30 A L E +L 15 0B 0 78,-2.0 77,-2.9 75,-0.3 78,-0.2 -0.781 48.2 161.2 -82.8 139.1 36.2 7.5 -1.4 31 31 A W E -L 14 0B 74 -17,-1.9 -17,-2.7 -2,-0.4 3,-0.1 -0.983 50.3 -79.6-153.8 148.3 33.7 9.6 0.6 32 32 A P - 0 0 59 0, 0.0 -19,-0.1 0, 0.0 -20,-0.1 -0.221 64.5 -96.8 -50.5 138.5 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 -0.281 59.9 140.4 -69.7 142.1 34.7 10.4 6.6 34 34 A G - 0 0 19 2,-0.2 -3,-0.0 -3,-0.1 5,-0.0 -0.925 60.5 -91.3-158.3-171.0 31.9 9.8 9.0 35 35 A T S S+ 0 0 123 -2,-0.3 4,-0.1 3,-0.0 5,-0.1 0.422 70.7 131.3 -94.8 -1.1 30.3 7.3 11.4 36 36 A Q > - 0 0 69 1,-0.1 3,-2.2 2,-0.1 4,-0.2 -0.202 68.0-118.1 -57.6 146.0 28.0 5.6 9.0 37 37 A R G > S+ 0 0 158 1,-0.3 3,-1.4 2,-0.2 15,-0.4 0.753 111.1 65.9 -58.4 -30.0 28.2 1.8 9.1 38 38 A N G 3 S+ 0 0 20 1,-0.3 -21,-2.1 13,-0.1 -1,-0.3 0.342 104.6 47.1 -76.5 4.1 29.4 1.6 5.5 39 39 A Q G < S+ 0 0 0 -3,-2.2 2,-0.6 -23,-0.2 -32,-0.3 0.284 90.7 95.2-117.3 1.3 32.6 3.3 6.6 40 40 A R < - 0 0 44 -3,-1.4 2,-0.5 -4,-0.2 12,-0.3 -0.868 58.3-168.3-100.5 116.3 33.1 1.1 9.7 41 41 A W E -A 5 0A 0 -36,-3.2 -36,-2.5 -2,-0.6 2,-0.6 -0.927 9.5-151.3-113.9 126.3 35.5 -1.7 8.9 42 42 A T E -AC 4 50A 32 8,-2.9 8,-2.6 -2,-0.5 2,-0.6 -0.863 6.8-150.1-102.6 122.6 36.0 -4.7 11.2 43 43 A F E -AC 3 49A 23 -40,-3.0 -40,-1.6 -2,-0.6 2,-0.3 -0.856 18.5-166.4 -97.7 111.1 39.4 -6.4 11.1 44 44 A D E > -A 2 0A 40 4,-1.9 3,-1.9 -2,-0.6 4,-0.3 -0.736 33.2-112.9-101.0 153.8 39.0 -10.1 11.9 45 45 A S T 3 S+ 0 0 83 -44,-0.6 -43,-0.1 1,-0.3 -1,-0.0 0.719 112.5 69.9 -64.6 -20.6 41.8 -12.5 12.8 46 46 A D T 3 S- 0 0 62 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.235 118.2-107.1 -75.6 6.3 41.2 -14.3 9.5 47 47 A D S < S+ 0 0 62 -3,-1.9 35,-2.3 1,-0.3 2,-0.3 0.731 78.1 132.1 67.9 26.4 42.5 -11.4 7.5 48 48 A T - 0 0 3 -4,-0.3 -4,-1.9 33,-0.2 2,-0.4 -0.725 47.0-150.4 -95.5 158.0 39.1 -10.3 6.3 49 49 A I E -C 43 0A 3 31,-0.3 7,-3.2 7,-0.3 2,-0.4 -0.986 24.4-166.3-132.9 115.9 38.0 -6.7 6.5 50 50 A R E +CD 42 55A 64 -8,-2.6 -8,-2.9 -2,-0.4 2,-0.4 -0.855 21.5 177.9-119.3 143.4 34.3 -6.4 6.9 51 51 A S E > S- D 0 54A 2 3,-2.0 3,-2.1 -2,-0.4 -13,-0.1 -0.998 78.9 -0.5-138.1 139.5 31.5 -3.8 6.7 52 52 A M T 3 S- 0 0 57 -15,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.801 130.2 -59.6 53.9 31.1 27.8 -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 0.449 118.8 99.7 81.2 2.5 28.5 -8.0 7.8 54 54 A K E < S-D 51 0A 39 -3,-2.1 -3,-2.0 17,-0.1 2,-0.4 -0.660 70.3-105.9-118.6 169.2 30.1 -8.5 4.4 55 55 A b E -DE 50 70A 0 15,-2.9 15,-1.5 -5,-0.2 2,-0.3 -0.784 21.9-113.7-104.7 140.2 33.7 -8.6 3.2 56 56 A M E - E 0 69A 0 -7,-3.2 2,-0.4 -2,-0.4 -7,-0.3 -0.524 51.7-171.3 -59.9 124.2 36.0 -6.3 1.2 57 57 A T E - E 0 68A 7 11,-3.1 11,-3.0 -2,-0.3 2,-0.6 -0.991 31.0-129.0-136.8 130.0 36.5 -8.3 -1.9 58 58 A A E - E 0 67A 4 21,-2.5 2,-1.9 -2,-0.4 9,-0.2 -0.687 18.6-150.3 -74.2 121.1 38.6 -8.1 -5.0 59 59 A N E S- E 0 66A 103 7,-3.2 7,-0.6 -2,-0.6 3,-0.1 -0.623 80.2 -15.8 -94.5 71.6 36.2 -8.5 -8.0 60 60 A G S S- 0 0 30 -2,-1.9 -1,-0.1 5,-0.1 52,-0.1 -0.143 71.5-112.6 104.5 157.5 38.9 -10.0 -9.9 61 61 A L S S+ 0 0 58 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.191 73.2 101.5-126.5 63.6 42.6 -10.2 -9.4 62 62 A N S > S- 0 0 113 -3,-0.1 3,-2.3 4,-0.1 2,-0.4 -0.747 84.0 -74.4-138.7 163.9 44.1 -8.2 -12.3 63 63 A N T 3 S+ 0 0 97 1,-0.3 50,-0.2 -2,-0.2 -2,-0.1 -0.486 124.1 19.3 -64.2 116.9 45.6 -4.6 -12.6 64 64 A G T 3 S+ 0 0 28 48,-3.3 -1,-0.3 -2,-0.4 49,-0.2 0.344 88.3 150.2 101.7 -2.5 42.6 -2.3 -12.6 65 65 A S E < -F 112 0A 13 -3,-2.3 47,-3.0 47,-0.5 -1,-0.3 -0.301 46.8-114.1 -61.9 140.4 40.1 -4.8 -10.9 66 66 A N E -FE 111 59A 63 -7,-0.6 -7,-3.2 45,-0.2 2,-0.4 -0.462 16.2-137.3 -75.3 148.3 37.4 -3.3 -8.8 67 67 A I E + E 0 58A 0 43,-2.0 -39,-2.7 -9,-0.2 43,-0.3 -0.939 35.4 163.8-106.2 133.6 37.2 -3.7 -5.0 68 68 A V E -BE 27 57A 3 -11,-3.0 -11,-3.1 -2,-0.4 2,-0.4 -0.745 41.6 -96.8-136.5 173.1 33.6 -4.4 -3.8 69 69 A I E + E 0 56A 0 -43,-2.2 -44,-2.9 -46,-0.3 -43,-0.4 -0.818 49.0 167.3 -94.0 142.8 31.6 -5.7 -0.8 70 70 A F E - E 0 55A 63 -15,-1.5 -15,-2.9 -2,-0.4 5,-0.1 -0.976 45.7 -81.0-157.8 143.6 30.6 -9.3 -1.1 71 71 A N > - 0 0 51 -2,-0.3 4,-1.9 -17,-0.2 3,-0.3 -0.236 39.7-139.3 -42.6 125.6 29.2 -12.1 1.1 72 72 A b T 4 S+ 0 0 21 -19,-0.4 -1,-0.1 1,-0.2 8,-0.1 0.769 96.9 48.5 -68.8 -28.8 32.2 -13.5 3.1 73 73 A S T 4 S+ 0 0 106 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.741 116.8 39.3 -84.5 -25.5 31.2 -17.2 2.7 74 74 A T T 4 S+ 0 0 94 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.670 94.8 92.8-100.9 -20.6 30.5 -17.2 -1.0 75 75 A A S < S- 0 0 17 -4,-1.9 2,-0.2 1,-0.1 5,-0.1 -0.311 93.1 -88.1 -63.4 156.6 33.3 -15.0 -2.3 76 76 A A >> - 0 0 64 -18,-0.2 3,-1.5 1,-0.1 4,-0.6 -0.484 32.1-130.8 -64.2 132.8 36.5 -16.6 -3.4 77 77 A E H >> S+ 0 0 65 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.883 107.9 57.0 -55.2 -40.8 38.9 -17.0 -0.4 78 78 A N H 34 S+ 0 0 96 1,-0.3 16,-0.4 2,-0.2 -1,-0.3 0.666 105.5 52.9 -59.7 -23.7 41.7 -15.4 -2.4 79 79 A A H <4 S+ 0 0 8 -3,-1.5 -21,-2.5 1,-0.1 -1,-0.3 0.588 107.0 48.5 -92.7 -13.9 39.6 -12.4 -3.0 80 80 A I H << S+ 0 0 17 -3,-1.3 2,-0.4 -4,-0.6 -31,-0.3 0.323 86.2 95.7-111.5 2.4 38.7 -11.6 0.7 81 81 A K < + 0 0 85 -4,-0.5 13,-0.3 -33,-0.1 2,-0.3 -0.869 48.1 171.7-101.7 135.6 42.1 -11.8 2.4 82 82 A W - 0 0 6 -35,-2.3 2,-0.3 -2,-0.4 10,-0.2 -0.938 18.2-155.3-140.5 146.4 44.0 -8.5 3.0 83 83 A E B -G 91 0A 93 8,-2.4 8,-2.0 -2,-0.3 -2,-0.0 -0.878 12.4-141.8-119.5 161.0 47.2 -7.5 4.8 84 84 A V - 0 0 63 -2,-0.3 6,-0.2 6,-0.2 4,-0.0 -0.788 20.5-152.4-125.4 83.0 48.1 -4.0 6.2 85 85 A P > - 0 0 45 0, 0.0 3,-2.1 0, 0.0 4,-0.1 -0.138 27.0-111.9 -53.4 152.6 51.8 -3.4 5.7 86 86 A I T 3 S+ 0 0 136 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.771 114.3 64.7 -63.6 -23.5 53.5 -1.0 8.1 87 87 A D T 3 S- 0 0 24 123,-0.1 -1,-0.3 1,-0.1 122,-0.1 0.474 122.5-100.4 -80.6 0.6 54.0 1.6 5.4 88 88 A G S < S+ 0 0 0 -3,-2.1 35,-2.2 1,-0.3 -2,-0.1 0.568 75.9 136.3 96.3 8.4 50.3 2.0 5.0 89 89 A S - 0 0 2 33,-0.2 2,-0.4 -4,-0.1 -1,-0.3 -0.403 46.2-143.5 -71.7 164.9 49.5 -0.1 2.0 90 90 A I - 0 0 0 31,-0.3 9,-2.7 9,-0.3 2,-0.4 -0.971 29.8-172.0-129.9 111.7 46.4 -2.4 1.9 91 91 A I B -GH 83 98A 42 -8,-2.0 -8,-2.4 -2,-0.4 7,-0.2 -0.856 30.0-140.4-114.2 142.9 47.5 -5.5 -0.1 92 92 A N > - 0 0 0 5,-2.5 4,-2.6 -2,-0.4 5,-0.4 -0.896 21.7-153.4 -92.6 109.3 45.7 -8.5 -1.5 93 93 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.870 86.1 58.1 -59.6 -34.2 48.2 -11.2 -0.8 94 94 A S T 4 S+ 0 0 61 -16,-0.4 -15,-0.1 -13,-0.3 -12,-0.1 0.943 122.5 22.7 -59.1 -50.0 47.1 -13.6 -3.7 95 95 A S T 4 S- 0 0 39 -17,-0.3 -1,-0.2 -3,-0.2 3,-0.1 0.703 93.1-134.9 -88.0 -24.4 47.6 -11.0 -6.4 96 96 A G < + 0 0 36 -4,-2.6 19,-0.4 1,-0.3 2,-0.1 0.430 61.2 135.1 69.4 7.0 50.1 -8.7 -4.7 97 97 A L - 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