==== 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 3CA0 . COMPND 2 MOLECULE: AGGLUTININ II; . SOURCE 2 ORGANISM_SCIENTIFIC: SAMBUCUS NIGRA; . AUTHOR L.MAVEYRAUD,H.NIWA,V.GUILLET,R.A.PALMER,C.D.REYNOLDS,L.MOURE . 257 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.0 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 . 20 7.8 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 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 1 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 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 0 136 0, 0.0 44,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.3 9.2 35.0 27.4 2 2 A S E -A 44 0A 67 42,-0.2 2,-0.3 43,-0.1 42,-0.2 -0.955 360.0-177.6-145.0 160.7 7.2 37.7 25.8 3 3 A F E -A 43 0A 95 40,-1.7 40,-3.2 -2,-0.3 2,-0.4 -0.964 20.7-132.4-155.7 153.2 6.2 41.4 26.0 4 4 A T E +A 42 0A 46 -2,-0.3 2,-0.3 38,-0.3 38,-0.2 -0.937 31.8 152.7-120.6 138.5 4.0 43.6 23.9 5 5 A R E -A 41 0A 86 36,-2.4 36,-3.1 -2,-0.4 122,-0.2 -0.921 42.8-104.8-149.7 164.7 4.7 47.1 22.5 6 6 A N E -F 126 0B 3 120,-1.9 120,-1.9 -2,-0.3 2,-0.5 -0.566 32.2-133.1 -83.2 163.3 3.9 49.5 19.7 7 7 A I E -F 125 0B 0 32,-0.3 8,-2.3 8,-0.3 2,-0.4 -0.970 23.4-165.2-122.1 111.0 6.5 49.9 16.9 8 8 A V E +FG 124 14B 8 116,-3.0 116,-2.5 -2,-0.5 6,-0.2 -0.839 21.9 140.7-101.3 132.3 7.1 53.6 16.2 9 9 A G > + 0 0 0 4,-3.3 3,-2.6 -2,-0.4 163,-0.6 -0.287 40.5 25.8-138.3-134.1 8.9 54.7 13.1 10 10 A R G > S- 0 0 26 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 -0.056 127.3 -5.1 -52.3 131.3 9.0 57.3 10.3 11 11 A D G 3 S- 0 0 62 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.650 124.4 -69.3 58.5 21.5 7.5 60.6 11.3 12 12 A G G < S+ 0 0 14 -3,-2.6 21,-0.5 1,-0.3 -1,-0.3 0.581 98.2 138.7 75.1 10.1 6.4 59.1 14.6 13 13 A L < - 0 0 25 -3,-1.8 -4,-3.3 -4,-0.3 -1,-0.3 -0.472 45.8-125.1 -83.6 160.0 3.8 56.9 12.9 14 14 A a E -GH 8 31B 0 17,-3.0 17,-1.6 -6,-0.2 2,-0.4 -0.709 21.3 -97.9-109.1 158.9 3.3 53.3 14.1 15 15 A V E - H 0 30B 0 -8,-2.3 2,-0.4 -2,-0.2 -8,-0.3 -0.636 53.0-178.5 -73.6 122.5 3.3 49.8 12.4 16 16 A D E - H 0 29B 6 13,-2.4 13,-2.4 -2,-0.4 2,-0.8 -0.985 33.8-134.7-136.8 130.2 -0.3 49.0 11.8 17 17 A V E > - H 0 28B 0 21,-2.4 3,-2.5 -2,-0.4 4,-0.2 -0.815 55.3 -95.9 -84.1 112.6 -2.2 46.1 10.3 18 18 A R G > S- 0 0 111 9,-0.9 3,-2.6 -2,-0.8 -1,-0.1 0.067 88.9 -26.6 -41.7 117.4 -4.6 47.8 8.0 19 19 A N G 3 S- 0 0 117 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.648 111.3 -71.2 51.7 22.5 -8.0 48.4 9.6 20 20 A G G < S+ 0 0 27 -3,-2.5 2,-0.3 1,-0.3 -1,-0.3 0.629 90.2 149.6 72.3 14.2 -7.6 45.4 11.9 21 21 A Y < - 0 0 108 -3,-2.6 -1,-0.3 -4,-0.2 5,-0.0 -0.628 27.4-172.0 -78.5 140.4 -8.0 43.0 9.0 22 22 A D + 0 0 67 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.275 30.3 139.2-120.5 15.5 -6.0 39.8 9.6 23 23 A T > - 0 0 97 1,-0.1 3,-2.0 2,-0.1 46,-0.3 -0.354 67.6 -95.4 -58.6 132.7 -6.3 38.0 6.3 24 24 A D T 3 S+ 0 0 63 1,-0.3 46,-0.2 44,-0.1 -1,-0.1 -0.258 112.4 28.5 -50.0 130.2 -3.0 36.4 5.3 25 25 A G T 3 S+ 0 0 32 44,-3.0 -1,-0.3 1,-0.3 45,-0.1 0.390 77.9 145.5 96.6 -7.7 -1.1 38.7 3.0 26 26 A T < - 0 0 11 -3,-2.0 43,-2.2 43,-0.4 -1,-0.3 -0.553 51.9-120.4 -62.6 120.3 -2.6 42.0 4.3 27 27 A P B -B 68 0A 41 0, 0.0 -9,-0.9 0, 0.0 41,-0.3 -0.332 17.3-123.5 -64.5 143.4 0.3 44.6 4.0 28 28 A L E -H 17 0B 0 39,-2.3 82,-2.2 82,-0.2 2,-0.3 -0.593 37.2-178.4 -81.1 150.9 1.5 46.4 7.1 29 29 A Q E -HI 16 109B 10 -13,-2.4 -13,-2.4 80,-0.3 2,-0.3 -0.896 31.4 -96.0-141.6 166.6 1.4 50.2 6.9 30 30 A L E +H 15 0B 0 78,-2.0 77,-3.2 75,-0.3 -15,-0.2 -0.724 47.2 160.7 -84.5 143.0 2.2 53.3 8.8 31 31 A W E -H 14 0B 84 -17,-1.6 -17,-3.0 -2,-0.3 3,-0.1 -0.971 49.4 -79.6-157.2 143.9 -0.7 54.9 10.8 32 32 A P - 0 0 62 0, 0.0 -19,-0.1 0, 0.0 -20,-0.1 -0.270 63.8 -93.9 -48.3 141.3 -0.9 57.4 13.7 33 33 A a + 0 0 36 -21,-0.5 2,-0.2 96,-0.2 -17,-0.0 -0.249 59.9 145.2 -65.7 141.2 -0.1 55.6 16.9 34 34 A G - 0 0 31 2,-0.1 -3,-0.0 -3,-0.1 -1,-0.0 -0.821 55.0-102.9-151.9-164.0 -3.0 54.3 19.1 35 35 A T + 0 0 114 -2,-0.2 -2,-0.1 5,-0.0 5,-0.0 0.252 68.3 128.3-116.1 7.3 -3.7 51.4 21.4 36 36 A Q S > S- 0 0 133 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.260 72.8-107.6 -71.0 157.7 -5.8 49.1 19.2 37 37 A R G > S+ 0 0 159 1,-0.3 3,-1.5 2,-0.2 15,-0.3 0.775 113.8 66.7 -61.1 -27.1 -4.9 45.5 18.8 38 38 A N G 3 S+ 0 0 18 1,-0.3 -21,-2.4 13,-0.1 -1,-0.3 0.401 106.3 42.9 -79.3 3.9 -3.6 46.0 15.2 39 39 A Q G < S+ 0 0 5 -3,-2.2 2,-0.7 -23,-0.2 -32,-0.3 0.213 91.8 99.0-120.2 8.6 -0.8 48.2 16.5 40 40 A R < - 0 0 66 -3,-1.5 2,-0.5 -4,-0.3 12,-0.3 -0.868 55.9-168.7-103.6 113.8 0.1 46.0 19.5 41 41 A W E -A 5 0A 0 -36,-3.1 -36,-2.4 -2,-0.7 2,-0.5 -0.893 10.1-150.3-111.4 126.6 3.1 43.7 18.7 42 42 A T E -AC 4 50A 44 8,-2.7 8,-2.4 -2,-0.5 2,-0.5 -0.845 7.5-156.7-102.0 124.8 4.2 40.8 20.9 43 43 A F E -AC 3 49A 16 -40,-3.2 -40,-1.7 -2,-0.5 2,-0.3 -0.867 17.9-177.5-102.0 127.3 7.9 39.9 20.9 44 44 A D E > -A 2 0A 60 4,-1.4 3,-2.0 -2,-0.5 -42,-0.2 -0.845 43.0-104.5-123.4 164.5 8.7 36.4 21.9 45 45 A S T 3 S+ 0 0 74 -44,-0.9 -43,-0.1 1,-0.3 -1,-0.0 0.713 116.2 67.9 -57.4 -23.1 11.8 34.2 22.5 46 46 A D T 3 S- 0 0 54 -45,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.338 114.7-116.1 -80.1 4.8 11.1 32.5 19.2 47 47 A D S < S+ 0 0 72 -3,-2.0 35,-2.4 1,-0.3 2,-0.2 0.586 70.3 135.7 70.0 16.0 12.0 35.8 17.5 48 48 A T - 0 0 2 33,-0.2 -4,-1.4 -4,-0.1 2,-0.5 -0.556 46.3-149.0 -88.4 160.4 8.5 36.3 16.1 49 49 A I E -C 43 0A 3 31,-0.4 7,-3.1 7,-0.3 2,-0.4 -0.974 27.0-170.8-131.7 108.8 6.6 39.6 16.2 50 50 A R E +CD 42 55A 82 -8,-2.4 -8,-2.7 -2,-0.5 2,-0.4 -0.843 21.8 175.8-120.0 139.9 2.9 39.0 16.4 51 51 A S E > S+ D 0 54A 2 3,-2.3 3,-2.1 -2,-0.4 -10,-0.1 -0.996 79.5 1.1-136.5 137.5 -0.3 41.0 16.2 52 52 A M T 3 S- 0 0 23 -2,-0.4 3,-0.1 -15,-0.3 -1,-0.1 0.781 129.6 -61.5 58.9 29.8 -3.8 39.6 16.4 53 53 A G T 3 S+ 0 0 62 1,-0.3 19,-0.4 18,-0.0 -1,-0.3 0.526 118.5 98.7 78.2 2.9 -2.3 36.1 16.8 54 54 A K E < S-D 51 0A 37 -3,-2.1 -3,-2.3 17,-0.1 2,-0.3 -0.777 70.8-103.2-119.9 167.9 -0.5 36.3 13.4 55 55 A b E -DE 50 70A 0 15,-3.1 15,-1.4 -2,-0.3 2,-0.4 -0.684 18.8-116.9 -99.0 141.8 3.1 37.1 12.4 56 56 A M E - E 0 69A 0 -7,-3.1 2,-0.4 -2,-0.3 -7,-0.3 -0.628 52.9-167.3 -60.8 122.9 4.9 40.0 10.9 57 57 A T E - E 0 68A 6 11,-2.8 11,-2.8 -2,-0.4 2,-0.5 -0.969 30.1-129.6-136.3 132.8 6.0 38.3 7.7 58 58 A A E - E 0 67A 5 21,-2.5 9,-0.2 -2,-0.4 3,-0.1 -0.684 17.0-152.9 -74.2 121.6 8.4 38.9 4.9 59 59 A N S S- 0 0 98 7,-3.0 2,-0.3 -2,-0.5 -1,-0.1 0.715 79.8 -9.1 -72.1 -19.7 6.4 38.3 1.6 60 60 A G - 0 0 24 6,-0.4 -1,-0.2 2,-0.1 5,-0.1 -0.955 68.6-118.0-160.4 177.2 9.7 37.4 -0.0 61 61 A L S S+ 0 0 72 -2,-0.3 2,-0.3 -3,-0.1 36,-0.1 0.241 79.3 89.2-111.7 15.8 13.4 37.5 0.9 62 62 A N S > S- 0 0 114 1,-0.1 3,-1.4 52,-0.0 50,-0.2 -0.801 89.7 -74.5-111.1 159.6 14.8 39.9 -1.8 63 63 A N T 3 S+ 0 0 81 -2,-0.3 50,-0.3 1,-0.2 -1,-0.1 -0.151 115.9 27.1 -52.4 134.1 15.1 43.7 -1.7 64 64 A G T 3 S+ 0 0 36 48,-2.8 -1,-0.2 1,-0.3 49,-0.2 0.440 85.2 148.5 90.9 2.9 11.8 45.6 -2.1 65 65 A S E < -J 112 0C 15 -3,-1.4 47,-2.4 47,-0.8 -1,-0.3 -0.280 48.3-110.8 -67.2 151.2 9.6 42.9 -0.8 66 66 A N E -J 111 0C 51 45,-0.2 -7,-3.0 -8,-0.0 2,-0.4 -0.536 18.5-137.7 -76.1 150.7 6.4 43.6 1.1 67 67 A I E + E 0 58A 0 43,-2.2 -39,-2.3 -9,-0.2 43,-0.3 -0.943 35.9 167.8-104.1 132.0 6.0 43.0 4.8 68 68 A V E -BE 27 57A 3 -11,-2.8 -11,-2.8 -2,-0.4 2,-0.3 -0.834 39.8 -99.0-136.2 167.4 2.5 41.5 5.6 69 69 A I E + E 0 56A 0 -43,-2.2 -44,-3.0 -46,-0.3 -43,-0.4 -0.732 50.1 169.2 -86.5 146.3 0.6 39.8 8.3 70 70 A F E - E 0 55A 55 -15,-1.4 -15,-3.1 -2,-0.3 -47,-0.1 -0.976 43.6 -86.6-162.7 142.2 0.5 36.0 8.0 71 71 A N > - 0 0 53 -2,-0.3 4,-2.0 -17,-0.2 -17,-0.1 -0.293 38.3-140.2 -45.0 122.0 -0.5 32.9 9.8 72 72 A b T 4 S+ 0 0 16 -19,-0.4 -1,-0.1 1,-0.2 8,-0.1 0.807 96.3 47.2 -60.1 -36.6 2.6 31.9 11.9 73 73 A S T 4 S+ 0 0 105 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.878 116.6 40.9 -81.4 -29.8 2.4 28.2 11.3 74 74 A T T 4 S+ 0 0 94 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.770 97.0 88.2 -91.5 -23.3 1.9 28.3 7.5 75 75 A A S < S- 0 0 13 -4,-2.0 2,-0.2 1,-0.1 5,-0.1 -0.338 94.2 -92.5 -66.7 154.3 4.4 31.0 6.8 76 76 A A >> - 0 0 66 1,-0.1 3,-1.2 3,-0.0 4,-0.7 -0.463 29.5-126.1 -67.5 140.9 8.1 30.0 6.2 77 77 A E H >> S+ 0 0 115 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.902 110.5 55.8 -58.2 -37.2 10.2 30.0 9.4 78 78 A N H 34 S+ 0 0 91 1,-0.3 16,-0.4 2,-0.2 17,-0.3 0.792 104.8 54.6 -66.1 -25.7 12.8 32.3 7.7 79 79 A A H <4 S+ 0 0 10 -3,-1.2 -21,-2.5 1,-0.2 -1,-0.3 0.619 109.2 45.1 -80.7 -21.1 10.0 34.8 6.8 80 80 A I H << S+ 0 0 4 -3,-1.1 2,-0.4 -4,-0.7 -31,-0.4 0.385 88.2 94.9-110.7 0.9 8.7 35.3 10.4 81 81 A K < + 0 0 53 -4,-0.7 13,-0.4 -3,-0.3 2,-0.3 -0.823 48.4 169.3-103.1 133.0 11.9 35.6 12.5 82 82 A W - 0 0 5 -35,-2.4 2,-0.3 -2,-0.4 10,-0.2 -0.938 19.0-154.8-135.8 150.8 13.2 39.1 13.3 83 83 A E B -K 91 0C 105 8,-2.5 8,-2.5 -2,-0.3 -2,-0.0 -0.937 12.4-141.1-126.5 163.7 15.8 40.8 15.5 84 84 A V - 0 0 48 -2,-0.3 6,-0.2 6,-0.2 41,-0.0 -0.826 21.0-156.4-123.0 85.9 16.0 44.3 16.9 85 85 A P > - 0 0 49 0, 0.0 3,-1.6 0, 0.0 4,-0.0 -0.190 30.9-106.7 -59.3 159.9 19.6 45.6 16.8 86 86 A I T 3 S+ 0 0 145 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.748 112.6 66.0 -64.8 -22.7 20.6 48.3 19.3 87 87 A D T 3 S- 0 0 25 1,-0.1 -1,-0.3 123,-0.1 122,-0.1 0.485 119.8 -97.1 -82.9 3.2 20.7 51.0 16.6 88 88 A G S < S+ 0 0 1 -3,-1.6 35,-1.9 1,-0.3 -2,-0.1 0.394 79.3 133.4 97.7 4.1 17.0 50.9 15.9 89 89 A S - 0 0 3 33,-0.2 2,-0.5 -4,-0.0 -1,-0.3 -0.377 46.8-147.0 -77.2 155.9 16.9 48.7 12.8 90 90 A I - 0 0 1 31,-0.3 9,-3.0 9,-0.3 2,-0.4 -0.982 28.5-169.5-120.8 110.8 14.4 45.8 12.6 91 91 A I B -KL 83 98C 42 -8,-2.5 -8,-2.5 -2,-0.5 7,-0.2 -0.850 30.7-142.3-110.5 143.8 16.1 43.0 10.7 92 92 A N > - 0 0 0 5,-2.8 4,-2.9 -2,-0.4 5,-0.4 -0.903 21.9-159.1 -93.4 106.4 15.1 39.7 9.1 93 93 A P T 4 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.788 84.3 60.1 -64.5 -25.7 18.2 37.7 9.9 94 94 A S T 4 S+ 0 0 58 -16,-0.4 -15,-0.1 -13,-0.4 -16,-0.1 0.961 121.6 22.9 -67.0 -47.9 17.6 35.1 7.2 95 95 A S T 4 S- 0 0 36 -17,-0.3 -1,-0.2 -3,-0.3 3,-0.1 0.743 95.3-132.2 -86.9 -24.4 17.7 37.7 4.4 96 96 A G < + 0 0 38 -4,-2.9 19,-0.4 1,-0.3 2,-0.1 0.377 64.0 132.6 79.6 -2.0 19.8 40.4 6.1 97 97 A L - 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