==== 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 2CGY . COMPND 2 MOLECULE: AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: HELIX POMATIA; . AUTHOR J.-F.SANCHEZ,J.LESCAR,A.AUDFRAY,C.GAUTIER,V.CHAZALET, . 100 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 62.0 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 . 41 41.0 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 . 13 13.0 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 0 103 0, 0.0 98,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.9 -2.5 43.1 -21.8 2 2 A V E -A 98 0A 88 96,-0.2 2,-0.3 97,-0.1 96,-0.2 -0.992 360.0-172.2-124.2 130.2 -1.7 42.4 -18.2 3 3 A Q E -A 97 0A 24 94,-2.1 94,-2.4 -2,-0.4 2,-0.3 -0.895 1.7-173.8-120.4 151.8 -2.3 45.0 -15.5 4 4 A S E +A 96 0A 94 -2,-0.3 2,-0.2 92,-0.2 92,-0.2 -0.959 9.0 158.3-138.7 159.0 -1.3 45.0 -11.8 5 5 A G E -A 95 0A 25 90,-1.6 90,-1.5 -2,-0.3 2,-0.3 -0.857 29.3-116.2-158.5-163.0 -2.0 47.2 -8.8 6 6 A K E -A 94 0A 123 88,-0.3 2,-0.6 -2,-0.2 88,-0.3 -0.961 10.7-155.0-156.4 128.1 -2.0 47.4 -5.0 7 7 A I E -A 93 0A 9 86,-2.4 86,-2.3 -2,-0.3 2,-0.8 -0.932 7.0-163.3-112.8 111.4 -4.8 48.0 -2.5 8 8 A N E +A 92 0A 93 -2,-0.6 84,-0.2 84,-0.2 -2,-0.0 -0.870 10.7 177.4 -95.8 108.1 -3.8 49.4 0.8 9 9 A a - 0 0 12 82,-2.4 -1,-0.2 -2,-0.8 83,-0.1 0.814 20.7-172.7 -80.7 -33.3 -6.6 48.8 3.2 10 10 A G + 0 0 28 81,-0.5 81,-0.2 2,-0.1 -1,-0.2 -0.356 46.1 1.1 76.9-155.6 -4.9 50.3 6.3 11 11 A D > - 0 0 68 79,-0.1 3,-1.1 1,-0.1 4,-0.2 -0.360 66.4-128.1 -66.0 146.8 -6.3 50.2 9.8 12 12 A D T 3 S+ 0 0 10 76,-2.1 18,-0.1 1,-0.2 -1,-0.1 0.429 98.2 83.8 -82.4 2.1 -9.6 48.4 10.2 13 13 A A T 3 S+ 0 0 85 1,-0.2 -1,-0.2 75,-0.2 76,-0.1 0.814 95.6 45.1 -63.5 -35.2 -11.1 51.4 12.0 14 14 A G S < S+ 0 0 67 -3,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.567 94.9 99.5 -84.2 -12.2 -11.8 52.7 8.6 15 15 A W S S- 0 0 12 -4,-0.2 16,-0.2 16,-0.1 2,-0.2 -0.495 77.3-118.1 -73.8 147.7 -13.2 49.4 7.4 16 16 A A E -C 30 0B 57 14,-1.6 14,-1.7 -2,-0.1 2,-0.4 -0.553 17.0-114.0 -86.8 148.3 -16.9 49.1 7.4 17 17 A K E -C 29 0B 180 12,-0.2 12,-0.2 -2,-0.2 -1,-0.1 -0.679 41.2-175.5 -70.5 131.4 -19.1 46.7 9.4 18 18 A V - 0 0 32 10,-2.7 10,-0.4 -2,-0.4 2,-0.3 -0.960 31.6 -97.3-130.8 154.1 -20.7 44.3 6.9 19 19 A P - 0 0 122 0, 0.0 7,-0.1 0, 0.0 10,-0.0 -0.545 46.3-108.9 -78.3 128.8 -23.3 41.5 7.6 20 20 A S - 0 0 48 -2,-0.3 7,-0.0 1,-0.1 6,-0.0 -0.195 25.4-170.6 -57.5 139.1 -21.7 38.1 7.9 21 21 A D S S+ 0 0 102 1,-0.1 -1,-0.1 3,-0.0 3,-0.0 0.193 77.1 67.6-109.2 10.3 -22.4 35.6 5.0 22 22 A D S > S- 0 0 62 3,-0.2 3,-2.4 1,-0.1 -1,-0.1 -0.973 76.6-147.1-129.2 115.1 -20.8 32.7 7.0 23 23 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.712 96.6 59.0 -60.9 -25.3 -22.9 31.7 10.1 24 24 A G T 3 S+ 0 0 72 -3,-0.0 2,-0.4 2,-0.0 -3,-0.0 0.330 99.6 71.9 -80.9 4.0 -19.9 30.8 12.2 25 25 A R < + 0 0 67 -3,-2.4 2,-0.2 59,-0.0 -3,-0.2 -0.960 56.0 170.2-121.0 141.1 -18.4 34.3 11.8 26 26 A D + 0 0 89 -2,-0.4 58,-2.8 1,-0.1 3,-0.2 -0.808 59.1 41.3-134.5-179.4 -19.6 37.6 13.4 27 27 A N S S- 0 0 83 -2,-0.2 2,-0.6 56,-0.2 -1,-0.1 0.886 77.0-179.2 43.3 44.7 -18.3 41.2 13.8 28 28 A T - 0 0 5 -10,-0.4 -10,-2.7 55,-0.2 55,-0.3 -0.657 5.1-178.0 -79.1 117.3 -17.3 40.9 10.1 29 29 A R E -CD 17 82B 26 53,-2.7 53,-1.6 -2,-0.6 2,-0.3 -0.677 1.4-173.3-109.5 171.5 -15.6 44.0 8.8 30 30 A E E -CD 16 81B 20 -14,-1.7 -14,-1.6 -2,-0.2 2,-0.9 -0.873 29.1-150.8-170.9 122.2 -14.3 44.7 5.3 31 31 A L E - D 0 80B 26 49,-2.4 49,-1.9 -2,-0.3 2,-0.9 -0.855 32.0-174.1 -93.8 96.0 -12.4 47.3 3.3 32 32 A A E - D 0 79B 44 -2,-0.9 47,-0.2 47,-0.2 2,-0.2 -0.801 0.9-172.3-101.5 97.7 -14.0 46.7 -0.1 33 33 A K E - D 0 78B 102 45,-1.1 45,-1.6 -2,-0.9 2,-0.5 -0.491 17.1-141.1 -85.7 159.0 -12.4 48.7 -2.9 34 34 A N E - D 0 77B 119 43,-0.2 43,-0.2 -2,-0.2 2,-0.2 -0.924 22.9-157.1-127.7 101.4 -13.7 48.9 -6.4 35 35 A I E - D 0 76B 30 41,-2.3 41,-1.1 -2,-0.5 2,-0.4 -0.492 9.9-159.3 -90.4 146.9 -11.0 48.8 -9.0 36 36 A T E - D 0 75B 100 39,-0.2 39,-0.3 -2,-0.2 38,-0.1 -0.983 23.5-123.9-125.7 119.4 -10.9 50.1 -12.6 37 37 A F - 0 0 6 37,-1.4 4,-0.0 -2,-0.4 -34,-0.0 -0.306 12.7-137.1 -55.0 136.0 -8.4 48.8 -15.1 38 38 A A S S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.0 -35,-0.0 0.968 101.0 30.6 -60.6 -54.9 -6.3 51.6 -16.7 39 39 A S S S- 0 0 69 -3,-0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.921 100.4-129.3-105.8 104.6 -6.7 49.9 -20.1 40 40 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 34,-0.2 -0.038 10.5-138.3 -49.7 150.6 -10.0 48.1 -20.3 41 41 A Y - 0 0 29 32,-2.6 -4,-0.0 1,-0.1 34,-0.0 -0.719 2.2-149.7 -95.8 160.8 -10.5 44.5 -21.3 42 42 A C S S+ 0 0 134 -2,-0.3 -1,-0.1 1,-0.3 32,-0.1 0.627 90.5 42.3-106.1 -22.5 -13.4 43.6 -23.6 43 43 A R S S- 0 0 64 30,-0.1 -1,-0.3 29,-0.1 29,-0.1 -0.984 109.1 -93.9-112.1 139.1 -13.6 40.0 -22.1 44 44 A P - 0 0 67 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.242 44.4-134.4 -50.9 122.0 -13.2 39.7 -18.3 45 45 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 54,-0.2 -0.346 19.5-103.6 -75.8 157.0 -9.6 39.0 -17.4 46 46 A V E -B 98 0A 88 52,-2.1 52,-2.3 53,-0.4 2,-0.4 -0.730 41.9-159.6 -75.6 127.0 -8.4 36.3 -14.9 47 47 A V E -B 97 0A 17 -2,-0.5 2,-0.4 50,-0.2 50,-0.2 -0.923 10.4-164.7-113.3 135.2 -7.5 38.1 -11.6 48 48 A L E -B 96 0A 115 48,-1.6 48,-1.8 -2,-0.4 2,-0.3 -0.957 9.6-151.6-111.4 139.9 -5.2 36.7 -8.9 49 49 A L E -B 95 0A 24 -2,-0.4 2,-0.3 46,-0.2 46,-0.2 -0.844 12.3-175.9-106.5 148.1 -5.1 38.3 -5.4 50 50 A S E -B 94 0A 59 44,-1.6 44,-1.2 -2,-0.3 2,-0.6 -0.998 22.7-136.7-139.9 138.1 -2.1 38.3 -3.1 51 51 A I E +B 93 0A 63 -2,-0.3 42,-0.2 42,-0.2 3,-0.1 -0.868 31.6 163.1 -91.6 124.6 -1.6 39.5 0.5 52 52 A T E + 0 0 81 40,-1.7 2,-0.3 -2,-0.6 41,-0.2 0.240 58.3 44.4-130.2 12.3 1.7 41.3 0.7 53 53 A Q E +B 92 0A 86 39,-0.9 39,-1.7 37,-0.0 2,-0.4 -0.800 59.2 173.4-156.3 116.4 1.5 43.4 3.9 54 54 A L E +B 91 0A 80 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.987 12.4 169.1-128.9 137.6 0.2 42.2 7.3 55 55 A D E +B 90 0A 83 35,-1.7 34,-2.8 -2,-0.4 35,-1.4 -0.832 24.4 166.8-143.8 92.6 0.2 44.0 10.6 56 56 A V E -B 88 0A 36 -2,-0.3 32,-0.2 32,-0.2 2,-0.1 -0.901 41.7 -99.8-123.2 143.7 -2.0 42.1 13.1 57 57 A E > - 0 0 50 30,-2.3 3,-0.6 -2,-0.3 30,-0.2 -0.385 26.1-152.1 -61.0 130.5 -2.5 42.1 16.8 58 58 A Q T 3 S+ 0 0 166 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.682 87.9 63.9 -81.7 -23.6 -0.6 39.3 18.5 59 59 A S T 3 S+ 0 0 72 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.586 106.1 48.1 -77.1 -13.3 -2.9 38.8 21.5 60 60 A Q S < S- 0 0 64 -3,-0.6 27,-0.1 27,-0.1 3,-0.1 -0.934 100.3 -79.3-135.6 151.3 -5.8 37.8 19.3 61 61 A N - 0 0 99 -2,-0.3 2,-0.8 1,-0.1 26,-0.2 -0.104 41.9-112.6 -56.9 140.4 -6.2 35.3 16.4 62 62 A L + 0 0 116 -4,-0.1 2,-0.5 24,-0.1 -1,-0.1 -0.660 44.7 170.4 -68.0 106.5 -5.0 36.2 12.9 63 63 A R + 0 0 37 -2,-0.8 2,-0.3 -3,-0.1 20,-0.3 -0.909 14.2 137.5-124.6 103.6 -8.3 36.4 10.9 64 64 A V - 0 0 33 -2,-0.5 2,-0.3 18,-0.1 18,-0.2 -0.994 26.9-171.3-143.2 151.9 -7.9 37.8 7.4 65 65 A I E -E 81 0B 42 16,-1.7 16,-1.9 -2,-0.3 2,-0.8 -0.993 20.2-148.9-135.1 140.0 -9.1 37.2 3.8 66 66 A A E -E 80 0B 27 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.917 39.2-161.0 -98.8 95.1 -8.1 38.7 0.5 67 67 A R E -E 79 0B 50 12,-2.6 12,-2.2 -2,-0.8 2,-0.5 -0.622 20.4-163.6 -90.4 139.6 -11.5 38.4 -1.0 68 68 A L E +E 78 0B 68 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.894 14.3 170.5-122.2 97.9 -12.3 38.5 -4.7 69 69 A Y E - 0 0 86 8,-1.2 2,-0.3 -2,-0.5 -1,-0.2 0.998 57.5 -11.5 -69.6 -69.2 -16.0 39.1 -5.3 70 70 A S E -E 77 0B 71 7,-1.1 7,-0.9 2,-0.0 2,-0.4 -0.922 47.8-150.9-140.7 159.1 -16.4 39.7 -9.1 71 71 A V E +E 76 0B 48 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.981 18.3 170.8-137.9 123.4 -14.5 40.4 -12.3 72 72 A S - 0 0 43 3,-2.8 3,-0.1 -2,-0.4 -29,-0.1 -0.572 49.7-100.7-115.4 178.6 -15.8 42.4 -15.3 73 73 A P S S+ 0 0 46 0, 0.0 -32,-2.6 0, 0.0 -30,-0.1 0.720 123.4 47.3 -74.0 -20.4 -14.0 43.7 -18.4 74 74 A T S S- 0 0 84 -34,-0.2 -37,-1.4 1,-0.2 2,-0.3 0.628 126.0 -58.5 -93.8 -18.9 -13.9 47.1 -16.8 75 75 A G E -D 36 0B 3 -39,-0.3 -3,-2.8 -3,-0.1 2,-0.3 -0.984 50.5 -98.4 164.6-165.5 -12.6 46.2 -13.3 76 76 A F E -DE 35 71B 5 -41,-1.1 -41,-2.3 -2,-0.3 2,-0.5 -0.979 12.8-131.2-157.1 143.5 -13.2 44.2 -10.1 77 77 A K E +DE 34 70B 60 -7,-0.9 -8,-1.2 -2,-0.3 -7,-1.1 -0.866 40.7 155.2 -92.8 123.3 -14.6 44.4 -6.6 78 78 A A E -DE 33 68B 0 -45,-1.6 -45,-1.1 -2,-0.5 2,-0.3 -0.928 17.1-164.6-141.0 166.9 -12.2 42.9 -4.0 79 79 A S E -DE 32 67B 0 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.5 -0.998 30.0-120.6-154.4 148.2 -11.6 43.4 -0.2 80 80 A a E -DE 31 66B 0 -49,-1.9 -49,-2.4 -2,-0.3 2,-0.4 -0.832 45.8-169.8 -80.9 135.0 -9.6 43.0 2.9 81 81 A Y E +DE 30 65B 1 -16,-1.9 -16,-1.7 -2,-0.5 2,-0.3 -0.994 16.5 164.2-139.3 128.8 -11.9 41.1 5.3 82 82 A T E -D 29 0B 0 -53,-1.6 -53,-2.7 -2,-0.4 2,-0.3 -0.942 12.1-162.6-139.5 163.6 -11.7 40.3 9.0 83 83 A W > + 0 0 44 -20,-0.3 3,-1.0 -2,-0.3 -56,-0.2 -0.946 44.6 7.1-147.0 165.4 -14.0 39.0 11.7 84 84 A H T 3 S- 0 0 78 -58,-2.8 -2,-0.0 -2,-0.3 -59,-0.0 -0.346 116.6 -27.2 64.3-136.0 -14.7 38.6 15.4 85 85 A N T 3 S+ 0 0 76 -2,-0.1 -1,-0.2 2,-0.1 -58,-0.1 0.500 96.3 127.1 -94.6 -3.4 -12.2 40.3 17.9 86 86 A T < - 0 0 2 -3,-1.0 2,-0.5 1,-0.1 -24,-0.1 -0.216 49.7-146.4 -48.6 139.0 -9.2 40.2 15.5 87 87 A K - 0 0 55 -30,-0.2 -30,-2.3 -26,-0.2 2,-0.6 -0.943 9.7-165.2-120.5 111.8 -7.5 43.6 15.1 88 88 A V E + B 0 56A 0 -2,-0.5 -76,-2.1 -32,-0.2 -32,-0.2 -0.855 13.2 174.5 -92.9 118.4 -5.9 44.5 11.7 89 89 A Y E S+ 0 0 94 -34,-2.8 2,-0.3 -2,-0.6 -33,-0.2 0.685 75.0 7.3 -86.6 -26.4 -3.5 47.5 11.9 90 90 A S E + B 0 55A 19 -35,-1.4 -35,-1.7 -79,-0.1 2,-0.3 -0.900 58.6 168.6-161.3 129.1 -2.5 47.0 8.2 91 91 A M E - B 0 54A 0 -2,-0.3 -82,-2.4 -81,-0.2 -81,-0.5 -0.925 7.6-174.7-143.3 122.2 -3.4 44.9 5.2 92 92 A S E -AB 8 53A 3 -39,-1.7 -40,-1.7 -2,-0.3 -39,-0.9 -0.884 6.4-163.8-111.2 146.0 -2.2 45.3 1.5 93 93 A I E -AB 7 51A 1 -86,-2.3 -86,-2.4 -2,-0.4 2,-0.3 -0.936 4.1-167.4-128.6 104.4 -3.5 43.2 -1.4 94 94 A S E -AB 6 50A 33 -44,-1.2 -44,-1.6 -2,-0.5 2,-0.3 -0.743 18.8-173.9 -88.2 144.8 -1.4 43.4 -4.6 95 95 A W E -AB 5 49A 22 -90,-1.5 -90,-1.6 -2,-0.3 2,-0.3 -0.868 18.8-149.0-139.5 165.5 -3.2 41.9 -7.6 96 96 A I E -AB 4 48A 64 -48,-1.8 -48,-1.6 -2,-0.3 2,-0.4 -0.971 3.0-160.3-138.5 152.6 -2.8 41.0 -11.3 97 97 A S E +AB 3 47A 0 -94,-2.4 -94,-2.1 -2,-0.3 2,-0.3 -0.975 12.8 178.7-139.2 118.9 -5.1 40.8 -14.3 98 98 A I E -AB 2 46A 86 -52,-2.3 -52,-2.1 -2,-0.4 -96,-0.2 -0.894 26.4-129.3-121.9 152.0 -4.4 38.8 -17.5 99 99 A E 0 0 23 -98,-0.5 -53,-0.4 -2,-0.3 -1,-0.2 0.988 360.0 360.0 -59.5 -84.9 -6.4 38.3 -20.7 100 100 A N 0 0 179 -55,-0.1 -1,-0.2 -54,-0.0 0, 0.0 -0.815 360.0 360.0 159.6 360.0 -6.8 34.6 -21.6