==== 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 3CA4 . 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) . 11290.0 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 . 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 . 24 9.3 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 . 10 4 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 0 113 0, 0.0 44,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 141.5 39.7 -11.1 17.9 2 2 A S E +A 44 0A 77 42,-0.2 2,-0.3 43,-0.1 42,-0.2 -0.967 360.0 178.1-136.0 154.6 38.2 -8.2 16.1 3 3 A F E -A 43 0A 98 40,-1.5 40,-3.0 -2,-0.3 2,-0.4 -0.980 21.0-132.5-149.8 158.2 38.2 -4.4 16.2 4 4 A T E +A 42 0A 34 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.910 31.2 150.1-127.4 138.5 36.5 -1.7 14.1 5 5 A R E -A 41 0A 86 36,-2.4 36,-3.4 -2,-0.4 122,-0.2 -0.911 43.5-101.8-148.5 167.8 37.9 1.5 12.6 6 6 A N E -J 126 0B 5 120,-2.2 120,-2.1 -2,-0.3 2,-0.5 -0.583 31.7-134.3 -83.6 166.3 37.5 3.9 9.7 7 7 A I E -J 125 0B 0 32,-0.4 8,-2.6 8,-0.3 2,-0.4 -0.970 20.5-164.0-125.2 113.9 40.1 3.6 6.9 8 8 A V E +JK 124 14B 7 116,-3.0 116,-2.6 -2,-0.5 6,-0.2 -0.826 22.9 143.1 -98.1 137.8 41.4 7.0 5.8 9 9 A G > + 0 0 0 4,-3.3 3,-2.6 -2,-0.4 163,-0.6 -0.334 42.5 26.0-142.1-136.2 43.3 7.4 2.4 10 10 A R G > S- 0 0 28 1,-0.3 3,-1.9 112,-0.2 -1,-0.3 0.035 128.1 -7.2 -47.7 128.1 43.7 9.8 -0.5 11 11 A D G 3 S- 0 0 61 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.650 123.8 -68.5 62.4 16.7 43.1 13.5 0.4 12 12 A G G < S+ 0 0 15 -3,-2.6 21,-0.4 1,-0.3 -1,-0.3 0.541 98.7 138.3 80.2 8.1 41.9 12.4 3.9 13 13 A L < - 0 0 28 -3,-1.9 -4,-3.3 -4,-0.2 2,-0.3 -0.397 48.0-121.1 -81.9 162.1 38.7 10.8 2.4 14 14 A a E -KL 8 31B 0 17,-3.0 17,-1.7 -6,-0.2 2,-0.4 -0.761 20.6-101.1-109.9 153.8 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 -0.567 52.6 178.8 -70.4 125.1 36.9 4.0 2.3 16 16 A D E - L 0 29B 3 13,-2.7 13,-2.6 -2,-0.4 2,-0.6 -0.989 36.4-122.1-142.8 129.7 33.1 3.9 1.9 17 17 A V E > - L 0 28B 0 21,-2.4 3,-2.4 -2,-0.4 11,-0.2 -0.728 55.7 -97.0 -77.5 120.8 30.7 1.3 0.5 18 18 A R G > S- 0 0 68 9,-2.6 3,-1.5 -2,-0.6 -1,-0.1 -0.074 95.5 -13.2 -54.4 124.0 29.0 3.3 -2.3 19 19 A N G 3 S- 0 0 97 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.582 112.4 -80.7 62.0 15.1 25.6 4.8 -1.2 20 20 A G G < S+ 0 0 29 -3,-2.4 -1,-0.3 1,-0.2 2,-0.2 0.581 86.2 152.4 70.0 10.4 25.6 2.7 1.9 21 21 A Y < - 0 0 146 -3,-1.5 -1,-0.2 1,-0.1 48,-0.1 -0.505 34.9-165.2 -71.9 138.2 24.3 -0.3 -0.1 22 22 A D + 0 0 85 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.224 44.1 132.5-103.9 13.0 25.2 -3.8 1.2 23 23 A T S > S- 0 0 88 1,-0.1 3,-2.1 2,-0.1 46,-0.3 -0.358 71.9 -95.1 -61.2 134.0 24.3 -5.5 -2.0 24 24 A D T 3 S+ 0 0 64 1,-0.3 46,-0.2 44,-0.1 -1,-0.1 -0.268 112.3 25.9 -49.0 132.6 26.9 -8.0 -3.2 25 25 A G T 3 S+ 0 0 31 44,-3.1 -1,-0.3 1,-0.3 45,-0.1 0.414 78.5 148.4 96.6 -6.2 29.2 -6.2 -5.7 26 26 A T < - 0 0 10 -3,-2.1 43,-2.3 43,-0.5 -1,-0.3 -0.496 49.3-118.5 -66.6 128.8 28.7 -2.7 -4.5 27 27 A P B -B 68 0A 35 0, 0.0 -9,-2.6 0, 0.0 2,-0.3 -0.238 13.8-124.5 -66.2 154.0 31.9 -0.8 -5.2 28 28 A L E +L 17 0B 0 39,-2.7 82,-2.6 82,-0.3 2,-0.3 -0.739 39.7 167.8 -87.9 147.3 34.1 0.8 -2.6 29 29 A Q E -LM 16 109B 3 -13,-2.6 -13,-2.7 -2,-0.3 2,-0.4 -0.891 38.4 -90.3-145.1 173.0 34.8 4.4 -3.1 30 30 A L E +L 15 0B 0 78,-2.0 77,-3.0 75,-0.3 -15,-0.2 -0.767 47.9 160.4 -84.8 141.7 36.3 7.5 -1.4 31 31 A W E -L 14 0B 73 -17,-1.7 -17,-3.0 -2,-0.4 3,-0.1 -0.973 51.2 -79.6-155.4 148.9 33.9 9.7 0.5 32 32 A P - 0 0 66 0, 0.0 -19,-0.1 0, 0.0 -20,-0.1 -0.193 65.0 -97.4 -51.1 139.0 34.3 12.3 3.3 33 33 A a + 0 0 34 -21,-0.4 2,-0.3 96,-0.2 -17,-0.0 -0.253 59.1 143.4 -70.0 144.8 34.8 10.5 6.6 34 34 A G - 0 0 19 2,-0.2 -3,-0.0 -3,-0.1 -1,-0.0 -0.909 59.2 -92.9-160.8-172.7 31.9 9.9 9.0 35 35 A T S S+ 0 0 123 -2,-0.3 4,-0.1 3,-0.0 5,-0.1 0.423 71.1 131.0 -95.4 -0.8 30.4 7.5 11.4 36 36 A Q > - 0 0 69 1,-0.1 3,-2.1 2,-0.1 4,-0.2 -0.188 68.5-117.6 -59.7 149.2 28.0 5.7 9.0 37 37 A R G > S+ 0 0 156 1,-0.3 3,-1.6 2,-0.2 15,-0.4 0.767 110.5 66.4 -62.1 -27.3 28.2 2.0 9.1 38 38 A N G 3 S+ 0 0 20 1,-0.3 -21,-2.4 13,-0.1 -1,-0.3 0.330 104.9 46.8 -79.0 5.4 29.4 1.7 5.5 39 39 A Q G < S+ 0 0 0 -3,-2.1 2,-0.6 -23,-0.2 -32,-0.4 0.278 90.2 95.3-118.1 4.8 32.6 3.4 6.6 40 40 A R < - 0 0 43 -3,-1.6 2,-0.5 -4,-0.2 12,-0.3 -0.880 58.7-167.7-102.5 120.2 33.1 1.2 9.7 41 41 A W E -A 5 0A 0 -36,-3.4 -36,-2.4 -2,-0.6 2,-0.6 -0.931 9.4-151.3-116.2 126.4 35.5 -1.6 8.9 42 42 A T E -AC 4 50A 31 8,-2.9 8,-2.7 -2,-0.5 2,-0.6 -0.862 7.4-150.9-103.4 123.8 36.0 -4.6 11.3 43 43 A F E -AC 3 49A 21 -40,-3.0 -40,-1.5 -2,-0.6 2,-0.3 -0.839 17.2-165.6 -96.5 115.5 39.4 -6.2 11.1 44 44 A D E > -A 2 0A 42 4,-2.0 3,-1.8 -2,-0.6 -42,-0.2 -0.711 34.2-111.2-100.5 158.8 39.1 -9.9 12.0 45 45 A S T 3 S+ 0 0 95 -44,-0.5 -43,-0.1 1,-0.3 -1,-0.1 0.548 113.9 68.4 -65.5 -8.5 41.9 -12.4 12.9 46 46 A D T 3 S- 0 0 65 2,-0.1 -1,-0.3 -45,-0.1 3,-0.1 0.259 117.6-108.0 -91.2 10.6 41.2 -14.2 9.6 47 47 A D S < S+ 0 0 54 -3,-1.8 35,-2.3 1,-0.3 2,-0.3 0.665 77.1 132.4 72.5 15.5 42.5 -11.2 7.6 48 48 A T - 0 0 1 33,-0.2 -4,-2.0 -4,-0.2 2,-0.5 -0.678 46.7-150.1 -91.5 157.8 39.1 -10.1 6.3 49 49 A I E -C 43 0A 2 31,-0.4 7,-3.2 7,-0.3 2,-0.4 -0.990 23.1-166.0-131.1 115.1 37.9 -6.6 6.5 50 50 A R E +CD 42 55A 65 -8,-2.7 -8,-2.9 -2,-0.5 2,-0.4 -0.859 21.0 177.7-118.0 142.1 34.2 -6.3 7.0 51 51 A S E > S- D 0 54A 2 3,-1.9 3,-2.3 -2,-0.4 -10,-0.1 -0.998 79.4 -0.5-134.6 139.6 31.5 -3.6 6.7 52 52 A M T 3 S- 0 0 57 -15,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.812 130.5 -59.1 54.9 31.5 27.8 -4.2 7.3 53 53 A G T 3 S+ 0 0 65 1,-0.3 19,-0.4 18,-0.0 -1,-0.3 0.430 119.5 99.3 82.2 0.1 28.5 -7.9 7.9 54 54 A K E < S-D 51 0A 37 -3,-2.3 -3,-1.9 17,-0.1 2,-0.4 -0.627 70.6-105.8-117.0 171.9 30.1 -8.4 4.4 55 55 A b E -DE 50 70A 0 15,-2.8 15,-1.7 -5,-0.2 2,-0.3 -0.796 21.3-114.4-105.5 142.4 33.7 -8.5 3.2 56 56 A M E - E 0 69A 0 -7,-3.2 2,-0.4 -2,-0.4 -7,-0.3 -0.539 51.8-173.6 -60.9 126.5 36.0 -6.1 1.3 57 57 A T E - E 0 68A 7 11,-2.9 11,-3.1 -2,-0.3 2,-0.6 -0.992 30.9-129.3-139.8 129.5 36.4 -8.2 -1.8 58 58 A A E - E 0 67A 4 21,-2.5 2,-2.0 -2,-0.4 9,-0.2 -0.723 18.7-145.7 -76.6 124.6 38.5 -7.9 -5.0 59 59 A N E S- E 0 66A 107 7,-3.3 7,-0.5 -2,-0.6 3,-0.1 -0.573 82.3 -13.8 -89.4 73.1 36.2 -8.4 -7.9 60 60 A G S S- 0 0 35 -2,-2.0 52,-0.1 5,-0.1 4,-0.1 -0.187 73.3-112.8 105.4 157.4 38.9 -10.1 -9.8 61 61 A L S S+ 0 0 53 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.156 74.5 109.8-121.6 40.4 42.7 -10.3 -9.1 62 62 A N S > S- 0 0 119 -3,-0.1 3,-2.5 4,-0.1 2,-0.5 -0.702 82.0 -83.0-113.8 163.6 44.0 -8.3 -12.0 63 63 A N T 3 S+ 0 0 94 1,-0.3 50,-0.2 -2,-0.2 -2,-0.1 -0.520 122.3 21.0 -63.6 114.5 45.6 -5.0 -12.4 64 64 A G T 3 S+ 0 0 33 48,-3.2 -1,-0.3 -2,-0.5 49,-0.1 0.330 87.8 150.2 105.0 -5.4 42.6 -2.6 -12.5 65 65 A S < - 0 0 18 -3,-2.5 47,-2.8 47,-0.4 -1,-0.3 -0.326 46.8-118.2 -60.2 138.3 40.2 -4.9 -10.8 66 66 A N E -FE 111 59A 66 -7,-0.5 -7,-3.3 45,-0.2 2,-0.5 -0.477 16.7-135.7 -74.9 148.8 37.5 -3.2 -8.8 67 67 A I E + E 0 58A 0 43,-2.3 -39,-2.7 -9,-0.2 43,-0.3 -0.908 35.1 164.9-106.5 134.4 37.2 -3.7 -5.0 68 68 A V E -BE 27 57A 4 -11,-3.1 -11,-2.9 -2,-0.5 2,-0.4 -0.731 41.6 -95.6-137.1 173.6 33.6 -4.2 -3.8 69 69 A I E + E 0 56A 0 -43,-2.3 -44,-3.1 -46,-0.3 -43,-0.5 -0.837 50.0 167.8 -92.6 146.0 31.6 -5.4 -0.8 70 70 A F E - E 0 55A 61 -15,-1.7 -15,-2.8 -2,-0.4 5,-0.1 -0.976 45.3 -81.9-159.6 143.5 30.6 -9.1 -1.0 71 71 A N > - 0 0 51 -2,-0.3 4,-1.9 -17,-0.2 3,-0.3 -0.190 39.6-138.4 -44.7 126.2 29.2 -11.9 1.2 72 72 A b T 4 S+ 0 0 16 -19,-0.4 -1,-0.1 1,-0.2 8,-0.1 0.764 97.3 47.9 -67.0 -28.8 32.2 -13.3 3.1 73 73 A S T 4 S+ 0 0 104 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.746 117.1 39.2 -84.7 -25.8 31.1 -16.9 2.8 74 74 A T T 4 S+ 0 0 96 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.655 94.5 93.8 -99.1 -18.5 30.4 -17.0 -1.0 75 75 A A S < S- 0 0 13 -4,-1.9 2,-0.2 1,-0.1 5,-0.1 -0.326 94.3 -88.5 -64.3 154.2 33.2 -14.8 -2.2 76 76 A A >> - 0 0 65 -18,-0.1 3,-1.0 1,-0.1 4,-0.5 -0.476 34.6-131.6 -60.3 130.3 36.4 -16.5 -3.4 77 77 A E G >4 S+ 0 0 100 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.879 106.6 57.2 -55.1 -40.1 38.7 -16.9 -0.3 78 78 A N G >4 S+ 0 0 95 1,-0.3 3,-0.7 2,-0.2 16,-0.4 0.850 104.1 54.3 -57.4 -34.0 41.6 -15.4 -2.2 79 79 A A G <4 S+ 0 0 7 -3,-1.0 -21,-2.5 1,-0.2 -1,-0.3 0.523 105.4 50.4 -84.4 -9.7 39.6 -12.3 -2.9 80 80 A I G << S+ 0 0 3 -3,-1.4 2,-0.4 -4,-0.5 -31,-0.4 0.328 84.4 98.3-112.1 7.1 38.7 -11.4 0.7 81 81 A K < + 0 0 60 -3,-0.7 2,-0.3 -4,-0.4 13,-0.2 -0.801 46.1 171.0 -97.9 138.1 42.1 -11.6 2.5 82 82 A W - 0 0 4 -35,-2.3 2,-0.3 -2,-0.4 10,-0.2 -0.993 16.3-159.6-144.0 145.6 44.0 -8.4 3.1 83 83 A E B -G 91 0A 92 8,-2.4 8,-2.3 -2,-0.3 -2,-0.0 -0.851 14.4-139.1-124.8 160.4 47.1 -7.4 5.0 84 84 A V - 0 0 65 -2,-0.3 6,-0.2 6,-0.2 41,-0.0 -0.784 20.1-152.3-122.9 83.5 48.1 -4.0 6.3 85 85 A P > - 0 0 45 0, 0.0 3,-2.5 0, 0.0 4,-0.1 -0.135 28.2-110.8 -53.2 153.7 51.9 -3.4 5.7 86 86 A I T 3 S+ 0 0 135 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.772 114.8 64.4 -63.9 -21.5 53.5 -1.1 8.2 87 87 A D T 3 S- 0 0 23 123,-0.1 -1,-0.3 1,-0.1 36,-0.1 0.477 122.1-100.5 -84.0 1.8 54.1 1.5 5.5 88 88 A G S < S+ 0 0 0 -3,-2.5 35,-2.1 1,-0.3 -2,-0.1 0.569 76.1 135.1 98.0 6.5 50.3 2.0 5.1 89 89 A S - 0 0 2 33,-0.2 2,-0.5 -4,-0.1 -1,-0.3 -0.385 47.1-142.4 -72.7 167.8 49.5 -0.1 2.0 90 90 A I - 0 0 0 31,-0.3 9,-2.8 9,-0.3 2,-0.4 -0.972 30.1-171.4-130.6 115.4 46.5 -2.4 2.0 91 91 A I B -GH 83 98A 41 -8,-2.3 -8,-2.4 -2,-0.5 7,-0.2 -0.852 29.0-139.4-118.6 144.1 47.5 -5.5 0.0 92 92 A N > - 0 0 0 5,-2.7 4,-2.4 -2,-0.4 5,-0.4 -0.906 20.9-151.9 -95.5 114.5 45.7 -8.5 -1.3 93 93 A P T 4 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -11,-0.1 0.859 86.8 57.1 -60.8 -34.3 48.2 -11.3 -0.7 94 94 A S T 4 S+ 0 0 65 -16,-0.4 -15,-0.1 -13,-0.2 -33,-0.0 0.948 122.7 23.4 -61.8 -47.1 47.1 -13.6 -3.5 95 95 A S T 4 S- 0 0 37 -17,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.692 92.4-135.4 -91.8 -22.2 47.7 -11.1 -6.3 96 96 A G < + 0 0 37 -4,-2.4 19,-0.4 1,-0.3 2,-0.1 0.466 61.9 134.0 66.3 7.9 50.2 -8.8 -4.5 97 97 A L - 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