==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 03-FEB-06 2CE6 . COMPND 2 MOLECULE: HELIX POMATIA AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: HELIX POMATIA; . AUTHOR J.-F.SANCHEZ,J.LESCAR,V.CHAZALET,A.AUDFRAY,C.GAUTIER, . 100 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5701.0 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 . 12 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.0 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 0 161 0, 0.0 98,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 111.1 -2.6 42.1 -21.5 2 2 A V E +A 98 0A 87 96,-0.2 2,-0.3 43,-0.0 96,-0.2 -0.914 360.0 177.7-113.6 131.8 -1.5 42.0 -17.9 3 3 A Q E -A 97 0A 20 94,-2.1 94,-2.6 -2,-0.4 2,-0.3 -0.856 4.4-179.8-126.3 160.5 -2.2 44.7 -15.3 4 4 A S E +A 96 0A 87 -2,-0.3 2,-0.3 92,-0.2 92,-0.2 -0.978 9.0 150.6-154.2 168.7 -1.4 44.9 -11.6 5 5 A G E -A 95 0A 27 90,-1.9 90,-1.9 -2,-0.3 2,-0.3 -0.935 32.9-109.1-175.7-164.2 -1.7 47.0 -8.5 6 6 A K E -A 94 0A 112 -2,-0.3 2,-0.6 88,-0.2 88,-0.3 -0.958 12.3-150.5-156.4 124.9 -1.9 47.0 -4.7 7 7 A I E -A 93 0A 14 86,-3.2 86,-2.3 -2,-0.3 2,-0.7 -0.921 12.1-159.0-100.3 116.7 -4.8 47.8 -2.4 8 8 A N E +A 92 0A 95 -2,-0.6 84,-0.2 84,-0.2 -2,-0.0 -0.900 12.6 178.5 -95.0 117.0 -3.6 49.2 0.9 9 9 A a - 0 0 11 82,-2.9 83,-0.1 -2,-0.7 -1,-0.1 0.700 18.8-170.6 -92.2 -26.3 -6.4 48.7 3.4 10 10 A G + 0 0 28 81,-0.6 -1,-0.1 3,-0.0 80,-0.1 -0.113 44.1 0.2 67.9-161.1 -4.8 50.2 6.6 11 11 A D > - 0 0 70 1,-0.1 3,-1.6 79,-0.1 78,-0.2 -0.346 63.0-130.8 -70.4 138.2 -6.0 50.0 10.1 12 12 A D G > S+ 0 0 13 76,-2.5 3,-1.3 1,-0.3 -1,-0.1 0.547 98.1 80.6 -73.1 -8.7 -9.3 48.2 10.7 13 13 A A G 3 S+ 0 0 87 75,-0.2 -1,-0.3 1,-0.2 76,-0.1 0.773 96.6 47.2 -57.4 -29.4 -10.7 51.1 12.8 14 14 A G G < S+ 0 0 63 -3,-1.6 -1,-0.2 -5,-0.1 2,-0.2 0.267 94.9 107.4 -95.6 8.1 -11.5 52.7 9.4 15 15 A W S < S- 0 0 20 -3,-1.3 16,-0.2 1,-0.1 2,-0.2 -0.608 74.1-107.2 -91.9 153.1 -13.0 49.4 8.0 16 16 A A E -C 30 0B 53 14,-1.8 14,-2.1 -2,-0.2 2,-0.5 -0.490 19.0-129.2 -82.4 139.6 -16.7 48.9 7.5 17 17 A K E -C 29 0B 128 12,-0.2 12,-0.2 -2,-0.2 -1,-0.1 -0.778 38.8-178.4 -81.2 126.2 -18.9 46.8 9.7 18 18 A V - 0 0 29 10,-2.0 2,-0.3 -2,-0.5 10,-0.3 -0.897 32.9 -95.6-126.2 156.9 -20.7 44.4 7.3 19 19 A P - 0 0 119 0, 0.0 7,-0.1 0, 0.0 10,-0.0 -0.588 48.7-110.4 -70.9 134.4 -23.3 41.7 7.7 20 20 A S - 0 0 52 -2,-0.3 6,-0.1 1,-0.1 7,-0.0 -0.284 24.7-169.3 -64.8 143.4 -21.7 38.2 7.8 21 21 A N S S+ 0 0 89 1,-0.1 -1,-0.1 -2,-0.0 3,-0.0 0.110 73.1 70.2-117.9 20.3 -22.2 35.8 4.9 22 22 A D S > S- 0 0 56 3,-0.3 3,-2.4 1,-0.1 -1,-0.1 -0.969 76.0-141.5-135.3 118.6 -20.8 32.8 6.8 23 23 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.731 102.0 57.8 -46.3 -29.1 -22.8 31.3 9.7 24 24 A G T 3 S+ 0 0 64 1,-0.0 2,-0.5 -3,-0.0 -4,-0.0 0.442 93.9 76.5 -84.7 -0.8 -19.5 30.8 11.5 25 25 A R < + 0 0 64 -3,-2.4 -3,-0.3 59,-0.0 3,-0.3 -0.948 52.3 179.8-122.6 122.9 -18.3 34.5 11.5 26 26 A D + 0 0 85 -2,-0.5 58,-3.3 1,-0.2 -2,-0.0 -0.706 68.2 26.4-108.3 165.5 -19.5 37.3 13.8 27 27 A N S S- 0 0 67 -2,-0.2 -1,-0.2 56,-0.2 2,-0.1 0.874 81.1-174.4 50.5 40.9 -18.3 41.0 13.8 28 28 A T - 0 0 1 -10,-0.3 -10,-2.0 -3,-0.3 2,-0.3 -0.436 4.1-179.8 -69.7 139.6 -17.3 40.7 10.2 29 29 A R E -CD 17 82B 28 53,-2.5 53,-2.6 -12,-0.2 2,-0.3 -0.996 5.0-179.8-148.8 133.6 -15.6 43.8 8.8 30 30 A E E -CD 16 81B 20 -14,-2.1 -14,-1.8 -2,-0.3 2,-0.8 -0.992 32.0-148.6-141.6 144.7 -14.1 44.7 5.5 31 31 A L E - D 0 80B 33 49,-2.1 49,-1.7 -2,-0.3 2,-0.2 -0.876 39.8-169.7-100.1 90.7 -12.3 47.5 3.6 32 32 A A E - D 0 79B 34 -2,-0.8 2,-0.4 47,-0.2 47,-0.3 -0.555 6.2-164.3 -82.2 147.4 -13.9 46.7 0.2 33 33 A K E - D 0 78B 97 45,-3.2 45,-2.3 -2,-0.2 2,-0.8 -1.000 17.7-151.0-136.0 140.2 -12.6 48.3 -3.0 34 34 A N E - D 0 77B 128 -2,-0.4 2,-0.4 43,-0.2 43,-0.2 -0.903 27.8-167.1-106.3 97.5 -14.1 48.5 -6.4 35 35 A I E - D 0 76B 27 41,-2.6 41,-3.2 -2,-0.8 2,-0.4 -0.774 8.4-157.7 -95.9 134.9 -11.1 48.7 -8.7 36 36 A T E - D 0 75B 100 -2,-0.4 39,-0.3 39,-0.3 2,-0.1 -0.892 21.4-119.8-109.7 135.7 -11.3 49.7 -12.3 37 37 A F - 0 0 9 37,-2.4 4,-0.0 -2,-0.4 -34,-0.0 -0.472 11.9-133.4 -71.5 145.9 -8.6 48.6 -14.8 38 38 A A S S+ 0 0 96 1,-0.3 -1,-0.1 -2,-0.1 37,-0.0 0.944 103.8 37.9 -62.0 -46.5 -6.7 51.4 -16.6 39 39 A S S S- 0 0 47 -3,-0.0 -1,-0.3 -38,-0.0 -2,-0.0 -0.909 94.5-132.2-106.7 108.8 -7.3 49.4 -19.9 40 40 A P - 0 0 92 0, 0.0 34,-0.2 0, 0.0 2,-0.2 -0.098 20.8-131.9 -54.1 151.4 -10.7 47.7 -20.0 41 41 A Y - 0 0 27 32,-3.4 -4,-0.0 1,-0.1 34,-0.0 -0.605 9.4-132.1-100.3 166.5 -10.8 44.1 -21.1 42 42 A C S S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.2 32,-0.1 0.945 95.0 9.8 -75.9 -58.4 -13.0 42.4 -23.6 43 43 A R S S- 0 0 201 30,-0.1 -1,-0.3 29,-0.1 57,-0.2 -0.837 106.5 -70.0-118.5 156.2 -13.9 39.6 -21.2 44 44 A P - 0 0 63 0, 0.0 56,-0.3 0, 0.0 -1,-0.1 -0.195 53.5-140.2 -38.8 121.7 -13.3 39.2 -17.5 45 45 A P - 0 0 7 0, 0.0 2,-0.5 0, 0.0 54,-0.2 -0.329 25.5 -97.6 -74.6 171.2 -9.6 38.6 -17.0 46 46 A V E -B 98 0A 79 52,-2.6 52,-1.9 -2,-0.1 2,-0.4 -0.823 44.1-159.1 -86.0 131.9 -8.3 36.2 -14.4 47 47 A V E -B 97 0A 14 -2,-0.5 2,-0.4 50,-0.2 50,-0.2 -0.957 8.1-165.6-118.8 132.7 -7.5 38.0 -11.2 48 48 A L E -B 96 0A 107 48,-1.9 48,-1.5 -2,-0.4 2,-0.4 -0.954 6.2-153.2-116.2 139.7 -5.2 36.8 -8.5 49 49 A L E -B 95 0A 31 -2,-0.4 2,-0.4 46,-0.2 46,-0.2 -0.878 11.5-178.5-110.5 142.2 -4.9 38.3 -5.0 50 50 A S E -B 94 0A 62 44,-2.4 44,-3.5 -2,-0.4 2,-0.7 -0.992 25.9-134.5-141.0 124.2 -1.9 38.1 -2.8 51 51 A I E +B 93 0A 63 -2,-0.4 42,-0.3 42,-0.3 3,-0.1 -0.747 31.8 168.2 -78.0 116.0 -1.6 39.5 0.7 52 52 A T E + 0 0 68 40,-2.2 2,-0.3 -2,-0.7 41,-0.2 0.265 59.1 43.3-116.5 7.5 1.7 41.3 0.7 53 53 A Q E +B 92 0A 83 39,-1.3 39,-1.7 41,-0.0 2,-0.3 -0.947 58.4 168.4-153.7 139.0 1.4 43.2 3.9 54 54 A L E +B 91 0A 81 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.992 13.9 169.3-151.2 140.6 0.2 42.4 7.4 55 55 A D E +B 90 0A 83 35,-1.6 34,-3.7 -2,-0.3 35,-1.4 -0.836 25.0 170.7-151.9 99.5 0.3 43.9 10.9 56 56 A V E -B 88 0A 37 -2,-0.3 32,-0.2 32,-0.3 2,-0.2 -0.924 38.3-105.9-124.6 142.9 -1.9 42.0 13.3 57 57 A E > - 0 0 50 30,-3.1 3,-0.7 -2,-0.4 30,-0.3 -0.499 24.5-151.3 -67.7 130.7 -2.4 42.1 17.0 58 58 A Q T 3 S+ 0 0 161 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.719 84.9 70.7 -79.6 -24.5 -0.9 39.1 18.7 59 59 A S T 3 S+ 0 0 70 2,-0.1 2,-0.3 28,-0.0 -1,-0.2 0.538 104.0 47.4 -72.0 -5.7 -3.2 38.8 21.8 60 60 A Q S < S- 0 0 76 -3,-0.7 27,-0.1 27,-0.1 26,-0.1 -0.928 101.0 -80.6-133.7 157.5 -6.0 37.6 19.5 61 61 A N - 0 0 104 -2,-0.3 2,-0.7 1,-0.1 26,-0.2 -0.177 41.9-113.4 -56.5 146.4 -6.2 35.1 16.6 62 62 A L + 0 0 108 24,-0.1 2,-0.4 -4,-0.1 -1,-0.1 -0.792 44.6 169.2 -80.9 114.1 -5.1 36.0 13.2 63 63 A R + 0 0 35 -2,-0.7 20,-0.4 20,-0.1 2,-0.3 -0.943 11.2 143.6-132.4 107.9 -8.2 36.0 11.1 64 64 A V - 0 0 34 -2,-0.4 2,-0.3 18,-0.1 18,-0.2 -0.993 24.4-172.4-143.9 151.0 -7.9 37.5 7.5 65 65 A I E -E 81 0B 40 16,-2.0 16,-2.1 -2,-0.3 2,-0.8 -0.993 19.1-148.8-138.7 137.4 -9.2 36.9 4.0 66 66 A A E -E 80 0B 29 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.917 36.9-157.9 -98.0 100.4 -8.2 38.6 0.8 67 67 A R E -E 79 0B 52 12,-2.6 12,-2.3 -2,-0.8 2,-0.6 -0.743 21.4-165.9-100.0 123.5 -11.6 38.4 -0.8 68 68 A L E +E 78 0B 69 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.931 12.5 173.1-100.0 119.0 -12.3 38.5 -4.5 69 69 A Y E - 0 0 71 8,-3.2 2,-0.3 -2,-0.6 9,-0.2 0.890 58.5 -16.9 -93.1 -51.3 -16.0 39.2 -5.1 70 70 A S E -E 77 0B 70 7,-1.2 7,-2.2 2,-0.0 2,-0.4 -0.997 46.0-150.9-160.0 152.9 -16.3 39.7 -8.8 71 71 A V E +E 76 0B 40 -2,-0.3 5,-0.2 5,-0.2 -24,-0.0 -0.995 18.7 175.8-131.9 124.7 -14.4 40.4 -12.0 72 72 A S - 0 0 42 3,-3.0 3,-0.2 -2,-0.4 -29,-0.1 -0.630 49.2 -97.8-114.7 174.5 -15.9 42.2 -14.9 73 73 A P S S+ 0 0 45 0, 0.0 -32,-3.4 0, 0.0 -30,-0.1 0.780 124.1 41.5 -66.1 -21.5 -14.3 43.2 -18.1 74 74 A T S S- 0 0 76 -34,-0.2 -37,-2.4 1,-0.1 2,-0.3 0.618 126.8 -38.5 -99.3 -14.8 -13.8 46.8 -16.7 75 75 A G E -D 36 0B 4 -39,-0.3 -3,-3.0 -3,-0.2 2,-0.3 -0.965 53.4-114.6 179.7-167.5 -12.8 46.1 -13.1 76 76 A F E -DE 35 71B 3 -41,-3.2 -41,-2.6 -2,-0.3 2,-0.5 -0.984 12.8-127.1-153.9 164.2 -13.2 44.0 -10.0 77 77 A K E +DE 34 70B 78 -7,-2.2 -8,-3.2 -2,-0.3 -7,-1.2 -0.972 37.2 155.6-117.3 126.5 -14.4 44.0 -6.4 78 78 A A E -DE 33 68B 0 -45,-2.3 -45,-3.2 -2,-0.5 2,-0.3 -0.939 16.1-164.6-143.7 161.3 -12.1 42.8 -3.7 79 79 A S E -DE 32 67B 0 -12,-2.3 -12,-2.6 -2,-0.3 2,-0.5 -1.000 29.7-122.2-149.7 151.7 -11.7 43.4 0.1 80 80 A a E -DE 31 66B 0 -49,-1.7 -49,-2.1 -2,-0.3 2,-0.4 -0.866 47.1-170.1 -82.5 128.0 -9.5 43.1 3.2 81 81 A Y E +DE 30 65B 1 -16,-2.1 -16,-2.0 -2,-0.5 2,-0.3 -0.978 17.2 160.8-131.5 133.7 -11.8 41.0 5.4 82 82 A T E -D 29 0B 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.3 -0.880 11.4-168.7-139.2 172.9 -11.6 40.1 9.1 83 83 A W > + 0 0 46 -20,-0.4 3,-1.4 -2,-0.3 -56,-0.2 -0.962 46.2 17.5-158.6 175.6 -14.0 39.0 11.8 84 84 A H T 3 S- 0 0 70 -58,-3.3 -2,-0.0 -2,-0.3 -59,-0.0 -0.251 119.3 -30.2 50.3-138.3 -14.5 38.3 15.6 85 85 A N T 3 S+ 0 0 69 2,-0.1 -1,-0.2 -3,-0.0 2,-0.2 -0.004 92.1 136.8-102.6 30.3 -12.0 40.1 17.8 86 86 A T < - 0 0 3 -3,-1.4 2,-0.5 -26,-0.1 -24,-0.1 -0.554 40.5-153.7 -69.3 140.4 -9.0 40.1 15.4 87 87 A K - 0 0 52 -30,-0.3 -30,-3.1 -26,-0.2 2,-0.5 -0.962 10.8-172.6-119.4 112.9 -7.2 43.5 15.3 88 88 A V E - B 0 56A 0 -2,-0.5 -76,-2.5 -32,-0.2 -32,-0.3 -0.903 14.9-173.8-107.6 133.3 -5.3 44.4 12.1 89 89 A Y E S- 0 0 82 -34,-3.7 2,-0.3 -2,-0.5 -33,-0.2 0.786 76.2 -7.8 -89.7 -33.6 -3.2 47.5 12.0 90 90 A S E + B 0 55A 19 -35,-1.4 -35,-1.6 -79,-0.1 -1,-0.4 -0.978 57.0 177.0-160.0 157.5 -2.5 47.1 8.3 91 91 A M E - B 0 54A 0 -2,-0.3 -82,-2.9 -37,-0.2 -81,-0.6 -0.930 7.3-169.7-158.6 130.6 -3.1 44.8 5.4 92 92 A S E -AB 8 53A 1 -39,-1.7 -40,-2.2 -2,-0.3 -39,-1.3 -0.973 6.0-157.9-129.0 147.8 -2.2 45.2 1.7 93 93 A I E -AB 7 51A 0 -86,-2.3 -86,-3.2 -2,-0.4 2,-0.3 -0.984 4.4-157.2-128.1 121.4 -3.3 43.0 -1.2 94 94 A S E -AB 6 50A 32 -44,-3.5 -44,-2.4 -2,-0.5 2,-0.3 -0.709 18.2-173.6 -93.6 152.1 -1.4 42.9 -4.5 95 95 A W E -AB 5 49A 25 -90,-1.9 -90,-1.9 -2,-0.3 2,-0.3 -0.973 18.1-160.3-146.2 157.9 -3.2 41.8 -7.6 96 96 A I E -AB 4 48A 63 -48,-1.5 -48,-1.9 -2,-0.3 2,-0.4 -0.964 7.0-157.3-133.7 148.1 -2.7 40.9 -11.2 97 97 A S E -AB 3 47A 0 -94,-2.6 -94,-2.1 -2,-0.3 2,-0.4 -0.988 12.2-171.2-124.7 136.0 -5.2 40.7 -14.0 98 98 A I E -AB 2 46A 74 -52,-1.9 -52,-2.6 -2,-0.4 -96,-0.2 -0.996 28.3-117.5-133.5 126.8 -4.6 38.6 -17.1 99 99 A E 0 0 45 -98,-1.5 -2,-0.0 -2,-0.4 -97,-0.0 -0.457 360.0 360.0 -54.8 124.3 -6.5 38.5 -20.4 100 100 A N 0 0 172 -56,-0.3 -1,-0.2 -57,-0.2 0, 0.0 0.873 360.0 360.0 -95.8 360.0 -7.8 34.9 -20.6