==== 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 18-JAN-06 2CCV . COMPND 2 MOLECULE: HELIX POMATIA AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: HELIX POMATIA; . AUTHOR J.-F.SANCHEZ,J.LESCAR,V.CHAZALET,A.AUDFRAY,C.GAUTIER, . 99 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 61.6 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 . 42 42.4 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 . 10 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.1 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 0 2 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 0 172 0, 0.0 98,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.9 5.3 3.8 138.0 2 2 A V E +A 98 0A 81 96,-0.2 2,-0.3 43,-0.1 96,-0.2 -0.934 360.0 171.9-127.6 130.5 4.7 4.6 134.5 3 3 A Q E -A 97 0A 16 94,-1.8 94,-2.5 -2,-0.4 2,-0.3 -0.889 6.8-178.6-132.5 158.2 6.6 6.6 131.8 4 4 A S E +A 96 0A 89 -2,-0.3 2,-0.3 92,-0.2 92,-0.2 -0.980 9.4 149.9-152.1 169.5 6.1 7.1 128.1 5 5 A G E -A 95 0A 31 90,-1.8 90,-2.6 -2,-0.3 2,-0.4 -0.964 34.0-103.8-177.1-167.9 7.6 8.8 125.1 6 6 A K E -A 94 0A 102 -2,-0.3 2,-0.5 88,-0.2 88,-0.2 -0.986 12.0-151.6-143.9 141.6 8.0 8.6 121.4 7 7 A I E -A 93 0A 4 86,-3.1 86,-2.6 -2,-0.4 2,-0.7 -0.987 10.6-157.3-111.1 120.9 10.8 7.5 119.1 8 8 A D E -A 92 0A 84 -2,-0.5 84,-0.2 84,-0.2 -2,-0.0 -0.898 11.3-179.6-105.0 113.1 10.9 9.2 115.6 9 9 A a - 0 0 9 82,-2.7 83,-0.2 -2,-0.7 5,-0.1 0.646 22.9-166.4 -85.5 -22.5 12.9 7.0 113.1 10 10 A G - 0 0 31 81,-0.7 -1,-0.2 3,-0.1 81,-0.2 -0.193 44.6 -8.6 68.8-165.3 12.4 9.4 110.1 11 11 A D > - 0 0 65 79,-0.1 3,-2.2 1,-0.1 78,-0.2 -0.480 64.1-125.6 -73.2 136.9 13.2 8.4 106.5 12 12 A D G > S+ 0 0 14 76,-3.0 3,-1.8 1,-0.3 77,-0.1 0.636 101.5 83.4 -69.2 -3.7 14.9 5.1 105.9 13 13 A A G 3 S+ 0 0 84 75,-0.3 -1,-0.3 1,-0.3 76,-0.1 0.778 94.6 50.2 -60.1 -22.2 17.6 6.7 103.9 14 14 A G G < S+ 0 0 60 -3,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.388 91.7 102.8 -91.4 -3.0 19.0 7.3 107.5 15 15 A W < - 0 0 22 -3,-1.8 2,-0.4 -4,-0.1 16,-0.2 -0.377 69.9-118.0 -87.2 162.1 18.7 3.6 108.7 16 16 A A E -C 30 0B 54 14,-2.8 14,-2.5 -2,-0.1 2,-0.3 -0.845 20.3-119.7 -96.5 136.2 21.5 1.1 109.0 17 17 A K E -C 29 0B 167 -2,-0.4 12,-0.3 12,-0.2 11,-0.0 -0.550 37.9-174.1 -67.3 135.6 21.8 -2.1 107.1 18 18 A V - 0 0 34 10,-2.3 10,-0.3 -2,-0.3 2,-0.1 -0.934 33.1 -89.6-130.3 153.6 21.9 -5.0 109.5 19 19 A P - 0 0 125 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.383 49.5-113.9 -59.8 138.8 22.4 -8.8 109.1 20 20 A S - 0 0 46 1,-0.1 7,-0.0 5,-0.1 63,-0.0 -0.547 19.3-162.4 -76.2 134.5 19.2 -10.5 108.4 21 21 A D S S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 0.331 81.4 59.8 -96.6 8.9 18.0 -13.0 111.1 22 22 A D S > S- 0 0 58 3,-0.3 3,-2.6 1,-0.1 -1,-0.1 -0.968 71.9-150.1-138.5 111.3 15.6 -14.6 108.6 23 23 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.695 98.3 62.8 -63.4 -14.1 16.9 -16.2 105.3 24 24 A G T 3 S+ 0 0 73 2,-0.0 2,-0.4 -3,-0.0 -3,-0.0 0.425 97.8 69.0 -84.2 -1.5 13.7 -15.2 103.6 25 25 A R < + 0 0 69 -3,-2.6 -3,-0.3 59,-0.0 2,-0.2 -0.975 59.9 176.8-121.1 131.2 14.4 -11.5 104.2 26 26 A D + 0 0 89 -2,-0.4 58,-3.0 1,-0.2 3,-0.1 -0.686 60.4 37.4-122.2 175.6 17.1 -9.4 102.5 27 27 A N S S- 0 0 67 56,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.836 75.2-174.8 48.4 42.5 18.1 -5.8 102.6 28 28 A T + 0 0 6 -10,-0.3 -10,-2.3 -3,-0.2 2,-0.3 -0.521 7.3 172.3 -71.4 129.1 17.2 -5.7 106.3 29 29 A R E +CD 17 82B 23 53,-2.4 53,-2.7 -12,-0.3 2,-0.3 -0.987 6.4 174.7-143.5 142.3 17.5 -2.2 107.6 30 30 A E E -CD 16 81B 17 -14,-2.5 -14,-2.8 -2,-0.3 2,-0.6 -0.998 33.5-136.3-152.8 161.3 16.7 -0.4 110.9 31 31 A L E - D 0 80B 35 49,-2.5 49,-2.0 -2,-0.3 2,-0.4 -0.953 34.6-167.6-111.1 101.4 16.9 2.7 113.0 32 32 A A E - D 0 79B 47 -2,-0.6 2,-0.4 47,-0.2 47,-0.2 -0.809 5.9-174.4 -89.8 135.2 17.9 1.5 116.5 33 33 A K E - D 0 78B 78 45,-3.0 45,-2.2 -2,-0.4 2,-0.6 -0.994 20.0-147.2-131.9 137.8 17.6 3.8 119.6 34 34 A N E - D 0 77B 130 -2,-0.4 2,-0.4 43,-0.2 43,-0.3 -0.942 24.8-156.1 -99.4 120.3 18.7 3.3 123.2 35 35 A I E - D 0 76B 35 41,-3.3 41,-1.7 -2,-0.6 2,-0.6 -0.854 4.0-150.5-100.9 133.4 16.2 5.1 125.4 36 36 A T E - D 0 75B 118 -2,-0.4 39,-0.3 39,-0.2 38,-0.1 -0.890 22.9-121.2-104.5 122.3 17.1 6.3 128.9 37 37 A F - 0 0 8 37,-2.6 2,-1.6 -2,-0.6 -34,-0.0 -0.443 12.0-128.0 -62.3 140.1 14.3 6.5 131.4 38 38 A A S S+ 0 0 82 1,-0.2 -1,-0.1 -2,-0.1 37,-0.1 -0.537 105.4 21.9 -73.5 53.2 13.6 9.8 133.0 39 39 A S S S- 0 0 50 -2,-1.6 -1,-0.2 35,-0.2 -2,-0.0 0.176 92.1-124.6 142.5 103.8 13.7 7.9 136.3 40 40 A P - 0 0 103 0, 0.0 34,-0.3 0, 0.0 2,-0.1 -0.349 21.1-137.8 -69.0 148.5 15.6 4.5 136.5 41 41 A Y - 0 0 29 32,-3.9 -2,-0.0 31,-0.1 -4,-0.0 -0.423 15.7-124.9 -89.9 169.9 13.7 1.4 137.9 42 42 A C S S+ 0 0 110 1,-0.3 32,-0.1 -2,-0.1 -1,-0.1 0.759 97.8 11.0 -87.4 -22.2 15.2 -1.1 140.3 43 43 A R S S- 0 0 155 30,-0.1 -1,-0.3 29,-0.1 29,-0.1 -0.943 109.7 -67.2-145.8 156.6 14.5 -4.0 137.9 44 44 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.102 50.4-138.8 -50.8 133.7 13.4 -3.9 134.2 45 45 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 54,-0.2 -0.336 27.5 -96.3 -74.8 171.3 9.9 -2.5 133.7 46 46 A V E -B 98 0A 110 52,-2.7 52,-2.7 -2,-0.1 2,-0.4 -0.830 45.3-161.5 -86.1 134.1 7.4 -4.0 131.2 47 47 A V E -B 97 0A 16 -2,-0.4 2,-0.4 50,-0.2 50,-0.2 -0.949 11.9-170.3-120.6 136.8 7.6 -2.0 127.9 48 48 A L E -B 96 0A 121 48,-2.1 48,-1.8 -2,-0.4 2,-0.3 -0.996 9.5-153.4-124.1 136.4 5.0 -1.9 125.1 49 49 A L E -B 95 0A 30 -2,-0.4 2,-0.3 46,-0.2 46,-0.2 -0.832 9.1-172.1-106.4 146.1 5.7 -0.3 121.7 50 50 A S E -B 94 0A 59 44,-2.4 44,-3.3 -2,-0.3 2,-0.8 -0.997 24.5-130.8-138.7 132.6 3.1 1.2 119.3 51 51 A I E +B 93 0A 62 -2,-0.3 42,-0.2 42,-0.2 3,-0.1 -0.729 35.5 164.6 -84.5 109.1 3.5 2.4 115.8 52 52 A T E + 0 0 75 40,-1.7 2,-0.3 -2,-0.8 41,-0.2 0.469 60.2 40.8-112.6 2.1 1.9 5.8 115.8 53 53 A Q E +B 92 0A 84 39,-1.3 39,-2.0 41,-0.0 2,-0.3 -0.960 60.1 167.6-146.0 128.2 3.2 7.3 112.6 54 54 A L E +B 91 0A 79 -2,-0.3 2,-0.4 37,-0.2 37,-0.2 -0.969 11.4 171.7-136.9 134.0 3.7 5.6 109.2 55 55 A D E +B 90 0A 86 35,-2.3 34,-2.6 -2,-0.3 35,-1.6 -0.957 24.9 169.6-136.3 105.4 4.4 7.2 105.8 56 56 A V E -B 88 0A 32 -2,-0.4 32,-0.2 32,-0.2 2,-0.2 -0.974 39.0-104.7-129.6 140.4 5.2 4.3 103.4 57 57 A E > - 0 0 43 30,-2.7 3,-0.9 -2,-0.4 30,-0.3 -0.368 23.3-150.0 -63.3 126.9 5.6 4.0 99.6 58 58 A Q T 3 S+ 0 0 169 1,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.739 86.5 69.1 -75.2 -20.1 2.5 2.4 97.9 59 59 A S T 3 S+ 0 0 64 2,-0.1 2,-0.3 28,-0.0 -1,-0.2 0.600 101.9 46.8 -79.5 -7.8 4.4 0.8 95.0 60 60 A Q S < S- 0 0 56 -3,-0.9 27,-0.1 27,-0.1 3,-0.1 -0.929 101.8 -83.9-127.5 156.5 6.2 -1.7 97.2 61 61 A N - 0 0 111 -2,-0.3 2,-0.6 1,-0.1 26,-0.2 -0.123 43.2-110.5 -57.9 148.9 4.8 -3.9 99.9 62 62 A L + 0 0 105 24,-0.1 2,-0.4 -4,-0.1 -1,-0.1 -0.782 44.2 170.8 -77.6 118.8 4.4 -2.5 103.4 63 63 A R + 0 0 38 -2,-0.6 20,-0.4 20,-0.1 2,-0.3 -0.948 11.2 147.9-134.8 106.7 7.1 -4.3 105.6 64 64 A V - 0 0 31 -2,-0.4 2,-0.3 18,-0.1 18,-0.2 -0.999 20.8-177.4-143.7 143.8 7.6 -2.9 109.1 65 65 A I E -E 81 0B 43 16,-2.0 16,-2.3 -2,-0.3 2,-0.7 -0.996 17.4-151.4-134.8 139.3 8.5 -4.2 112.6 66 66 A A E -E 80 0B 31 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.958 31.3-159.5-103.1 110.5 8.7 -2.2 115.8 67 67 A R E -E 79 0B 41 12,-2.5 12,-1.8 -2,-0.7 2,-0.7 -0.741 22.7-161.0-101.7 137.6 11.3 -4.2 117.7 68 68 A L E +E 78 0B 72 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.949 15.5 175.9-109.4 108.2 12.0 -4.3 121.4 69 69 A Y E - 0 0 89 8,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.893 59.5 -22.4 -79.3 -45.8 15.6 -5.7 121.7 70 70 A S E -E 77 0B 68 7,-1.2 7,-1.9 2,-0.0 2,-0.3 -0.983 51.0-147.2-166.9 156.9 16.1 -5.5 125.4 71 71 A V E +E 76 0B 42 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.999 15.7 175.0-139.6 135.4 15.0 -3.8 128.6 72 72 A S E > -E 75 0B 44 3,-2.7 3,-0.7 -2,-0.3 -29,-0.1 -0.751 49.0 -94.5-128.6 170.8 16.9 -2.8 131.8 73 73 A P T 3 S+ 0 0 42 0, 0.0 -32,-3.9 0, 0.0 -30,-0.1 0.770 124.8 41.0 -63.5 -20.7 15.9 -0.8 135.0 74 74 A S T 3 S- 0 0 59 -34,-0.3 -37,-2.6 1,-0.2 2,-0.3 0.681 127.2 -43.1-107.9 -1.9 17.3 2.4 133.4 75 75 A G E < -DE 36 72B 6 -3,-0.7 -3,-2.7 -39,-0.3 2,-0.3 -0.964 52.3-113.1 169.9-166.2 16.1 2.2 129.8 76 76 A F E -DE 35 71B 9 -41,-1.7 -41,-3.3 -2,-0.3 2,-0.4 -0.953 15.4-121.5-156.0 165.1 15.6 -0.1 126.6 77 77 A K E +DE 34 70B 70 -7,-1.9 -8,-2.1 -2,-0.3 -7,-1.2 -0.959 38.2 164.0-111.0 126.4 16.8 -0.6 123.0 78 78 A A E -DE 33 68B 0 -45,-2.2 -45,-3.0 -2,-0.4 2,-0.3 -0.955 12.9-165.3-138.9 156.9 14.1 -0.5 120.3 79 79 A S E -DE 32 67B 1 -12,-1.8 -12,-2.5 -2,-0.3 2,-0.5 -0.986 26.3-130.5-142.3 153.7 14.1 -0.1 116.5 80 80 A a E -DE 31 66B 0 -49,-2.0 -49,-2.5 -2,-0.3 2,-0.4 -0.916 42.3-169.2 -87.8 131.8 12.1 0.7 113.5 81 81 A Y E +DE 30 65B 2 -16,-2.3 -16,-2.0 -2,-0.5 2,-0.3 -0.981 17.2 161.1-135.1 137.7 12.8 -2.2 111.1 82 82 A T E -D 29 0B 0 -53,-2.7 -53,-2.4 -2,-0.4 2,-0.3 -0.864 11.6-166.6-143.0 176.3 12.1 -2.9 107.4 83 83 A W > + 0 0 38 -20,-0.4 3,-1.5 -2,-0.3 -56,-0.2 -0.960 45.3 16.2-158.4 173.9 13.4 -5.1 104.6 84 84 A H T 3 S- 0 0 77 -58,-3.0 -2,-0.0 -2,-0.3 -59,-0.0 -0.232 117.4 -27.5 51.1-136.6 13.5 -5.9 100.9 85 85 A N T 3 S+ 0 0 82 2,-0.1 -1,-0.2 -3,-0.0 -58,-0.1 0.214 93.7 130.3-101.2 14.4 12.3 -3.1 98.6 86 86 A T < - 0 0 4 -3,-1.5 2,-0.5 -26,-0.0 -24,-0.1 -0.356 45.4-150.2 -60.0 143.3 9.9 -1.3 101.0 87 87 A K - 0 0 47 -30,-0.3 -30,-2.7 -26,-0.2 2,-0.6 -0.986 8.9-167.3-119.9 120.3 10.5 2.5 101.3 88 88 A V E - B 0 56A 0 -2,-0.5 -76,-3.0 -32,-0.2 -75,-0.3 -0.938 10.3-177.6-105.0 117.7 9.6 4.1 104.6 89 89 A Y E S- 0 0 85 -34,-2.6 2,-0.3 -2,-0.6 -33,-0.2 0.780 75.5 -7.2 -84.4 -32.7 9.5 8.0 104.5 90 90 A S E + B 0 55A 19 -35,-1.6 -35,-2.3 -79,-0.1 -1,-0.4 -0.943 59.9 176.0-161.0 148.7 8.7 8.2 108.2 91 91 A M E - B 0 54A 0 -2,-0.3 -82,-2.7 -37,-0.2 -81,-0.7 -0.951 7.1-172.8-149.4 134.2 7.9 5.9 111.1 92 92 A S E -AB 8 53A 2 -39,-2.0 -40,-1.7 -2,-0.3 -39,-1.3 -0.986 8.8-154.1-132.2 144.4 7.5 6.7 114.8 93 93 A I E -AB 7 51A 1 -86,-2.6 -86,-3.1 -2,-0.4 2,-0.4 -0.962 3.9-156.9-115.8 125.6 7.1 4.4 117.8 94 94 A S E -AB 6 50A 35 -44,-3.3 -44,-2.4 -2,-0.5 2,-0.3 -0.802 19.0-168.5 -93.8 146.2 5.3 5.4 121.0 95 95 A W E -AB 5 49A 26 -90,-2.6 -90,-1.8 -2,-0.4 2,-0.3 -0.957 16.5-165.1-135.5 154.8 6.2 3.5 124.1 96 96 A I E -AB 4 48A 63 -48,-1.8 -48,-2.1 -2,-0.3 2,-0.4 -0.995 6.2-161.7-135.1 145.3 5.0 3.0 127.6 97 97 A S E -AB 3 47A 0 -94,-2.5 -94,-1.8 -2,-0.3 2,-0.4 -0.983 4.4-170.6-123.9 136.4 6.9 1.4 130.6 98 98 A I E AB 2 46A 86 -52,-2.7 -52,-2.7 -2,-0.4 -96,-0.2 -0.997 360.0 360.0-130.0 125.9 5.2 0.2 133.7 99 99 A E 0 0 79 -98,-2.4 -97,-0.0 -2,-0.4 -2,-0.0 -0.255 360.0 360.0 -60.8 360.0 7.2 -0.9 136.8