==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 10-MAR-06 2CGZ . COMPND 2 MOLECULE: AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: HELIX POMATIA; . AUTHOR J.-F.SANCHEZ,J.LESCAR,A.AUDFRAY,C.GAUTIER,V.CHAZALET, . 101 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 59.4 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 . 41 40.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 12 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.0 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+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 . 0 1 0 0 0 1 1 1 0 1 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 1 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 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 R 0 0 175 0, 0.0 98,-1.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.4 -2.8 42.6 -21.8 2 2 A V E +A 98 0A 83 96,-0.2 2,-0.3 97,-0.1 96,-0.2 -0.980 360.0 179.4-124.3 125.0 -1.5 42.4 -18.2 3 3 A Q E -A 97 0A 14 94,-1.8 94,-2.2 -2,-0.4 2,-0.3 -0.909 3.6-171.3-123.1 151.2 -2.2 45.0 -15.5 4 4 A S E +A 96 0A 97 -2,-0.3 2,-0.3 92,-0.2 92,-0.2 -0.835 10.8 151.0-135.3 172.6 -1.1 45.1 -11.9 5 5 A G E -A 95 0A 28 90,-1.5 90,-1.7 -2,-0.3 2,-0.3 -0.982 30.6-113.7 179.7-174.7 -1.7 47.1 -8.7 6 6 A K E -A 94 0A 113 -2,-0.3 2,-0.6 88,-0.2 88,-0.2 -0.994 9.7-155.3-149.8 138.5 -1.9 47.4 -4.9 7 7 A I E -A 93 0A 9 86,-1.7 86,-1.9 -2,-0.3 2,-1.0 -0.926 8.0-162.3-120.5 102.6 -4.7 48.0 -2.5 8 8 A N E +A 92 0A 98 -2,-0.6 84,-0.2 84,-0.2 -2,-0.0 -0.769 12.3 176.0 -87.6 103.8 -3.6 49.5 0.8 9 9 A a - 0 0 13 82,-2.3 -1,-0.2 -2,-1.0 83,-0.2 0.803 20.1-176.9 -77.2 -32.1 -6.6 48.9 3.2 10 10 A G + 0 0 25 81,-0.5 -1,-0.2 2,-0.1 81,-0.1 -0.289 44.5 5.5 71.3-152.3 -4.8 50.3 6.3 11 11 A D > - 0 0 67 79,-0.1 3,-0.8 1,-0.1 78,-0.2 -0.299 63.1-133.1 -66.8 148.7 -6.3 50.3 9.8 12 12 A D T 3 S+ 0 0 15 76,-1.7 3,-0.3 1,-0.2 18,-0.1 0.434 97.0 80.8 -89.3 1.0 -9.7 48.5 10.3 13 13 A A T 3 S+ 0 0 84 1,-0.2 -1,-0.2 75,-0.2 76,-0.1 0.813 96.2 48.5 -63.9 -33.4 -11.1 51.4 12.2 14 14 A G S < S+ 0 0 63 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.488 94.4 100.6 -84.9 -5.7 -11.7 52.8 8.8 15 15 A W S S- 0 0 18 -3,-0.3 2,-0.3 16,-0.1 16,-0.2 -0.427 74.8-116.9 -77.4 156.4 -13.3 49.6 7.5 16 16 A A E -C 30 0B 56 14,-1.7 14,-1.9 -2,-0.1 2,-0.4 -0.724 20.2-118.6 -93.1 142.0 -17.1 49.2 7.3 17 17 A K E -C 29 0B 174 -2,-0.3 12,-0.2 12,-0.2 11,-0.1 -0.695 37.8-172.9 -72.0 126.2 -19.1 46.6 9.3 18 18 A V - 0 0 32 10,-2.0 10,-0.2 -2,-0.4 2,-0.2 -0.915 30.1 -97.1-120.6 153.4 -20.7 44.3 6.8 19 19 A P - 0 0 120 0, 0.0 7,-0.1 0, 0.0 10,-0.0 -0.487 46.7-105.8 -73.4 135.7 -23.3 41.6 7.5 20 20 A S - 0 0 51 -2,-0.2 6,-0.0 1,-0.1 7,-0.0 -0.246 28.4-174.4 -61.2 142.2 -21.9 38.0 7.8 21 21 A D S S+ 0 0 101 1,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.206 74.1 69.9-116.4 7.6 -22.4 35.6 5.0 22 22 A D S > S- 0 0 61 3,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.995 76.3-145.4-123.2 119.2 -20.8 32.7 7.0 23 23 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.785 97.7 56.7 -56.3 -31.8 -22.8 31.5 9.9 24 24 A G T 3 S+ 0 0 38 -3,-0.1 2,-0.4 2,-0.0 -4,-0.0 0.456 98.0 74.8 -79.0 -3.5 -19.7 30.7 12.0 25 25 A R < + 0 0 57 -3,-2.0 2,-0.3 59,-0.0 -3,-0.2 -0.929 54.7 174.4-114.1 135.6 -18.4 34.3 11.8 26 26 A D + 0 0 77 -2,-0.4 58,-2.4 1,-0.1 3,-0.1 -0.824 61.9 35.3-126.6 172.4 -19.6 37.5 13.6 27 27 A N S S- 0 0 81 -2,-0.3 2,-0.4 56,-0.2 -1,-0.1 0.851 78.0-178.7 51.2 38.6 -18.5 41.1 13.8 28 28 A T + 0 0 5 -10,-0.2 -10,-2.0 55,-0.2 55,-0.3 -0.550 3.9 179.5 -71.8 123.5 -17.4 40.8 10.1 29 29 A R E -CD 17 82B 24 53,-2.7 53,-1.3 -2,-0.4 2,-0.3 -0.751 2.7-178.3-117.1 171.9 -15.7 44.0 8.8 30 30 A E E -CD 16 81B 15 -14,-1.9 -14,-1.7 -2,-0.2 2,-0.9 -0.879 30.8-143.4-172.7 130.5 -14.3 44.8 5.4 31 31 A L E - D 0 80B 28 49,-2.2 49,-1.4 -2,-0.3 2,-0.2 -0.840 36.2-168.4 -95.3 91.8 -12.5 47.5 3.4 32 32 A A E - D 0 79B 38 -2,-0.9 2,-0.3 47,-0.2 47,-0.2 -0.545 4.7-171.6 -80.8 148.9 -14.2 46.9 -0.0 33 33 A K E - D 0 78B 101 45,-2.2 45,-1.7 -2,-0.2 2,-0.7 -0.998 22.2-144.4-143.4 141.6 -12.8 48.6 -3.1 34 34 A N E - D 0 77B 122 -2,-0.3 2,-0.3 43,-0.2 43,-0.2 -0.907 24.7-164.0-107.7 101.0 -13.9 48.9 -6.7 35 35 A I E - D 0 76B 34 41,-2.2 41,-2.1 -2,-0.7 2,-0.5 -0.679 2.8-156.2 -86.5 138.9 -10.8 48.9 -8.9 36 36 A T E - D 0 75B 101 -2,-0.3 39,-0.3 39,-0.2 38,-0.1 -0.974 20.1-119.9-120.2 124.8 -11.0 50.1 -12.5 37 37 A F - 0 0 11 37,-1.5 -34,-0.0 -2,-0.5 0, 0.0 -0.325 10.3-138.4 -62.5 138.2 -8.5 48.9 -15.1 38 38 A A S S+ 0 0 93 1,-0.3 -1,-0.1 2,-0.0 -35,-0.0 0.971 102.3 31.1 -58.5 -56.4 -6.4 51.5 -16.8 39 39 A S S S- 0 0 45 -3,-0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.902 100.2-130.2-104.4 102.9 -6.8 49.8 -20.2 40 40 A P - 0 0 87 0, 0.0 34,-0.2 0, 0.0 2,-0.1 -0.200 14.5-139.0 -54.4 137.3 -10.2 48.1 -20.2 41 41 A Y - 0 0 20 32,-2.3 -4,-0.0 31,-0.1 58,-0.0 -0.359 2.5-146.2 -79.8 174.9 -10.5 44.5 -21.2 42 42 A C S S+ 0 0 127 1,-0.4 -1,-0.1 -2,-0.1 32,-0.1 0.705 91.1 39.8-112.6 -45.3 -13.4 43.3 -23.4 43 43 A R S S- 0 0 57 30,-0.1 -1,-0.4 29,-0.1 29,-0.1 -0.898 110.3 -94.3 -96.5 139.5 -13.6 39.8 -21.8 44 44 A P - 0 0 62 0, 0.0 2,-0.1 0, 0.0 28,-0.1 -0.302 45.2-127.5 -53.3 129.1 -13.2 39.8 -18.0 45 45 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 54,-0.2 -0.383 21.5-103.1 -75.9 156.4 -9.5 39.1 -17.2 46 46 A V E -B 98 0A 91 52,-2.2 52,-1.6 53,-0.3 2,-0.4 -0.718 44.4-158.6 -73.1 127.6 -8.4 36.3 -14.8 47 47 A V E -B 97 0A 16 -2,-0.5 2,-0.4 50,-0.2 50,-0.2 -0.933 12.3-165.4-117.4 133.8 -7.5 38.1 -11.5 48 48 A L E -B 96 0A 118 48,-1.8 48,-1.6 -2,-0.4 2,-0.3 -0.967 8.3-153.9-114.5 132.7 -5.3 36.8 -8.7 49 49 A L E -B 95 0A 26 -2,-0.4 2,-0.3 46,-0.2 46,-0.2 -0.780 12.1-176.6-102.5 151.9 -5.2 38.4 -5.3 50 50 A S E -B 94 0A 54 44,-1.9 44,-2.0 -2,-0.3 2,-0.8 -0.979 25.4-133.3-150.4 127.5 -2.1 38.3 -3.0 51 51 A I E +B 93 0A 63 -2,-0.3 42,-0.2 42,-0.2 3,-0.1 -0.771 32.2 165.4 -84.6 112.8 -1.7 39.6 0.5 52 52 A T E + 0 0 75 40,-1.6 2,-0.3 -2,-0.8 41,-0.2 0.325 60.6 42.9-111.7 4.1 1.7 41.4 0.5 53 53 A Q E +B 92 0A 78 39,-1.3 39,-0.9 41,-0.0 2,-0.3 -0.982 57.6 171.1-150.8 143.0 1.3 43.3 3.8 54 54 A L E +B 91 0A 80 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.967 12.9 171.9-154.2 130.8 0.1 42.4 7.3 55 55 A D E +B 90 0A 85 35,-2.1 34,-2.4 -2,-0.3 35,-1.5 -0.883 25.8 166.4-138.7 102.6 0.1 44.1 10.7 56 56 A V E -B 88 0A 36 -2,-0.3 32,-0.2 32,-0.2 2,-0.1 -0.966 40.5-106.1-131.5 138.2 -2.0 42.2 13.1 57 57 A E > - 0 0 55 30,-2.1 3,-0.6 -2,-0.4 30,-0.2 -0.383 23.1-150.7 -63.5 130.6 -2.4 42.2 16.9 58 58 A Q T 3 S+ 0 0 163 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.657 87.5 67.7 -80.9 -20.8 -0.7 39.2 18.5 59 59 A S T 3 S+ 0 0 70 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.697 105.7 44.1 -74.6 -20.9 -3.0 38.9 21.6 60 60 A Q S < S- 0 0 70 -3,-0.6 27,-0.1 27,-0.1 26,-0.1 -0.803 101.7 -78.2-121.7 165.8 -5.9 37.9 19.3 61 61 A N - 0 0 82 -2,-0.3 2,-1.0 1,-0.1 26,-0.2 -0.237 38.8-113.7 -67.2 146.5 -6.2 35.5 16.4 62 62 A L + 0 0 108 24,-0.1 2,-0.5 -4,-0.1 -1,-0.1 -0.738 44.5 167.7 -75.5 102.8 -5.0 36.2 12.8 63 63 A R + 0 0 13 -2,-1.0 20,-0.4 20,-0.1 2,-0.3 -0.938 14.3 142.0-120.4 105.0 -8.3 36.3 10.9 64 64 A V - 0 0 33 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.998 24.2-175.0-142.8 144.7 -7.8 37.8 7.4 65 65 A I E -E 81 0B 42 16,-1.9 16,-2.1 -2,-0.3 2,-0.7 -0.979 21.8-149.2-131.6 147.9 -9.1 37.2 3.9 66 66 A A E -E 80 0B 28 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.878 35.8-162.5-108.2 89.8 -8.2 38.7 0.5 67 67 A R E -E 79 0B 54 12,-1.7 12,-2.0 -2,-0.7 2,-0.7 -0.644 16.3-161.2 -86.8 127.1 -11.7 38.3 -0.9 68 68 A L E +E 78 0B 62 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.889 14.3 174.4-107.5 101.0 -12.3 38.5 -4.7 69 69 A Y E - 0 0 82 8,-1.6 2,-0.3 -2,-0.7 -1,-0.2 0.977 55.4 -19.6 -71.4 -60.4 -16.0 39.1 -5.3 70 70 A S E -E 77 0B 68 7,-1.2 7,-1.2 2,-0.0 2,-0.4 -0.956 45.8-146.6-151.2 163.1 -16.3 39.7 -9.0 71 71 A V E +E 76 0B 44 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.929 16.7 176.8-141.8 113.8 -14.5 40.5 -12.3 72 72 A S - 0 0 49 3,-1.7 3,-0.3 -2,-0.4 -31,-0.1 -0.479 48.0-101.8 -97.7 175.7 -16.0 42.5 -15.2 73 73 A P S S+ 0 0 44 0, 0.0 -32,-2.3 0, 0.0 -30,-0.1 0.716 123.3 47.6 -65.9 -20.4 -14.1 43.5 -18.4 74 74 A T S S- 0 0 79 -34,-0.2 -37,-1.5 1,-0.1 2,-0.3 0.592 126.4 -51.2-100.4 -16.0 -13.9 47.0 -16.9 75 75 A G E -D 36 0B 2 -3,-0.3 -3,-1.7 -39,-0.3 2,-0.3 -0.940 53.4-105.3 171.7-158.2 -12.6 46.2 -13.3 76 76 A F E -DE 35 71B 3 -41,-2.1 -41,-2.2 -2,-0.3 2,-0.5 -0.973 12.1-127.1-164.0 153.1 -13.2 44.2 -10.2 77 77 A K E +DE 34 70B 61 -7,-1.2 -8,-1.6 -2,-0.3 -7,-1.2 -0.934 40.8 152.0-104.5 120.7 -14.6 44.3 -6.6 78 78 A A E -DE 33 68B 0 -45,-1.7 -45,-2.2 -2,-0.5 2,-0.3 -0.921 17.2-168.9-139.8 169.2 -12.2 42.9 -3.9 79 79 A S E -DE 32 67B 1 -12,-2.0 -12,-1.7 -2,-0.3 2,-0.5 -0.994 31.9-115.1-155.4 154.1 -11.6 43.5 -0.2 80 80 A a E -DE 31 66B 0 -49,-1.4 -49,-2.2 -2,-0.3 2,-0.4 -0.893 45.9-168.2 -86.3 129.0 -9.6 43.1 3.0 81 81 A Y E +DE 30 65B 2 -16,-2.1 -16,-1.9 -2,-0.5 2,-0.3 -0.981 16.6 160.3-131.5 122.4 -11.9 41.1 5.2 82 82 A T E -D 29 0B 0 -53,-1.3 -53,-2.7 -2,-0.4 2,-0.3 -0.870 11.3-172.3-132.3 170.8 -11.6 40.3 8.9 83 83 A W > + 0 0 20 -20,-0.4 3,-1.2 -2,-0.3 -56,-0.2 -0.969 42.2 19.8-157.9 171.3 -13.9 39.2 11.7 84 84 A H T 3 S- 0 0 36 -58,-2.4 -2,-0.0 -2,-0.3 -59,-0.0 -0.369 118.2 -28.3 62.7-139.6 -14.5 38.6 15.4 85 85 A N T 3 S+ 0 0 75 -2,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.209 96.0 132.9 -96.0 17.0 -12.0 40.3 17.8 86 86 A T < - 0 0 4 -3,-1.2 2,-0.5 -26,-0.1 -24,-0.1 -0.407 44.5-151.4 -62.5 139.2 -9.2 40.4 15.3 87 87 A K - 0 0 50 -30,-0.2 -30,-2.1 -26,-0.2 2,-0.6 -0.974 9.5-169.6-116.7 118.6 -7.4 43.7 15.1 88 88 A V E + B 0 56A 0 -2,-0.5 -76,-1.7 -32,-0.2 -32,-0.2 -0.936 12.0 177.0-107.5 112.1 -5.7 44.6 11.8 89 89 A Y E S+ 0 0 89 -34,-2.4 2,-0.3 -2,-0.6 -33,-0.2 0.747 75.7 5.7 -76.4 -26.8 -3.5 47.7 11.9 90 90 A S E + B 0 55A 20 -35,-1.5 -35,-2.1 -79,-0.1 2,-0.3 -0.946 58.4 169.1-163.0 131.6 -2.5 47.2 8.2 91 91 A M E - B 0 54A 0 -2,-0.3 -82,-2.3 -37,-0.2 -81,-0.5 -0.871 7.3-176.3-150.0 119.5 -3.3 45.0 5.2 92 92 A S E -AB 8 53A 1 -39,-0.9 -40,-1.6 -2,-0.3 -39,-1.3 -0.912 8.4-159.7-114.3 142.1 -2.3 45.5 1.6 93 93 A I E -AB 7 51A 1 -86,-1.9 -86,-1.7 -2,-0.4 2,-0.3 -0.957 3.4-159.4-123.6 109.4 -3.4 43.3 -1.3 94 94 A S E -AB 6 50A 32 -44,-2.0 -44,-1.9 -2,-0.5 2,-0.3 -0.656 18.7-171.1 -80.1 145.4 -1.3 43.2 -4.5 95 95 A W E -AB 5 49A 24 -90,-1.7 -90,-1.5 -2,-0.3 2,-0.3 -0.938 15.4-158.7-137.4 160.4 -3.3 42.0 -7.6 96 96 A I E -AB 4 48A 70 -48,-1.6 -48,-1.8 -2,-0.3 2,-0.4 -0.974 4.7-161.4-137.5 151.2 -2.7 41.0 -11.2 97 97 A S E -AB 3 47A 0 -94,-2.2 -94,-1.8 -2,-0.3 2,-0.3 -1.000 7.5-179.6-138.4 134.3 -5.0 40.8 -14.3 98 98 A I E -AB 2 46A 84 -52,-1.6 -52,-2.2 -2,-0.4 -96,-0.2 -0.990 25.1-135.0-135.3 141.7 -4.5 38.9 -17.6 99 99 A E 0 0 35 -98,-1.1 -53,-0.3 -2,-0.3 -1,-0.2 0.986 360.0 360.0 -59.6 -77.3 -6.8 38.7 -20.6 100 100 A N 0 0 173 -55,-0.1 -1,-0.1 -54,-0.0 0, 0.0 -0.166 360.0 360.0 159.1 360.0 -7.0 35.0 -21.6 101 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 102 1102 A X 0 0 263 0, 0.0 -18,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -15.0 31.1 19.9