==== 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 22-JUL-04 1WMY . COMPND 2 MOLECULE: LECTIN CEL-I, N-ACETYL-D-GALACTOSAMINE-SPECIFIC C . SOURCE 2 ORGANISM_SCIENTIFIC: CUCUMARIA ECHINATA; . AUTHOR H.SUGAWARA,M.KUSUNOKI,G.KURISU,T.FUJIMOTO,H.AOYAGI,T.HATAKEY . 280 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 2 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 N 0 0 107 0, 0.0 150,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 112.0 3.3 -13.1 37.9 2 2 A Q + 0 0 16 277,-0.0 151,-0.1 2,-0.0 12,-0.1 0.006 360.0 130.7-114.2 28.1 5.9 -10.5 36.7 3 3 A a - 0 0 9 4,-0.1 3,-0.1 1,-0.1 6,-0.1 -0.550 64.6-102.2 -78.0 144.3 9.0 -12.3 38.0 4 4 A P > - 0 0 3 0, 0.0 3,-1.9 0, 0.0 177,-0.1 -0.237 56.2 -76.8 -52.5 154.9 12.0 -12.9 35.8 5 5 A T T 3 S+ 0 0 56 276,-0.6 3,-0.1 175,-0.4 276,-0.1 -0.274 120.9 21.9 -57.1 138.8 12.4 -16.5 34.4 6 6 A D T 3 S+ 0 0 107 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.458 102.0 104.6 75.7 2.8 13.7 -18.9 37.0 7 7 A W < - 0 0 11 -3,-1.9 2,-0.4 9,-0.1 -1,-0.3 -0.911 68.0-131.8-105.2 141.7 12.6 -16.7 39.9 8 8 A E E -A 15 0A 95 7,-3.2 7,-2.7 -2,-0.4 2,-0.4 -0.798 17.7-130.4 -96.5 140.3 9.5 -17.6 42.0 9 9 A A E +A 14 0A 26 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.699 36.1 153.4 -93.5 132.6 6.8 -15.0 42.7 10 10 A E E > -A 13 0A 99 3,-2.3 3,-1.4 -2,-0.4 2,-0.1 -0.798 64.4 -40.4-158.9 117.0 5.4 -14.4 46.2 11 11 A G T 3 S- 0 0 49 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.474 120.6 -23.9 72.2-135.7 3.9 -11.1 47.4 12 12 A D T 3 S+ 0 0 113 -2,-0.1 127,-0.5 -3,-0.1 2,-0.3 0.052 126.3 75.2 -92.0 18.8 5.9 -8.1 46.2 13 13 A H E < -A 10 0A 46 -3,-1.4 -3,-2.3 125,-0.1 2,-0.4 -0.864 64.6-142.3-134.2 161.4 9.0 -10.1 45.7 14 14 A a E -AB 9 137A 0 123,-0.8 123,-2.8 -2,-0.3 2,-0.3 -0.955 22.8-163.2-119.0 143.7 10.7 -12.7 43.6 15 15 A Y E -AB 8 136A 6 -7,-2.7 -7,-3.2 -2,-0.4 2,-0.3 -0.953 7.6-169.6-126.2 151.9 12.9 -15.5 45.1 16 16 A R E - B 0 135A 53 119,-2.3 119,-2.7 -2,-0.3 2,-0.4 -0.941 10.5-149.8-147.7 125.4 15.5 -17.9 43.7 17 17 A F E - B 0 134A 17 -2,-0.3 2,-0.6 117,-0.2 117,-0.2 -0.715 5.5-160.3 -92.6 131.3 17.2 -20.9 45.3 18 18 A F E - B 0 133A 26 115,-2.9 115,-1.7 -2,-0.4 2,-1.6 -0.953 7.3-154.3-115.0 112.9 20.7 -21.9 44.3 19 19 A N E + 0 0 75 -2,-0.6 2,-0.4 113,-0.2 113,-0.1 -0.460 58.1 109.7 -83.4 61.7 21.6 -25.6 45.2 20 20 A T E - 0 0 81 -2,-1.6 2,-0.4 113,-0.1 111,-0.2 -0.994 69.1-122.9-143.8 122.9 25.3 -25.0 45.5 21 21 A L E + 0 0 91 -2,-0.4 2,-0.3 111,-0.1 111,-0.2 -0.570 50.5 139.7 -61.6 128.8 27.4 -25.0 48.6 22 22 A T E - B 0 131A 14 109,-2.5 109,-2.2 -2,-0.4 2,-0.1 -0.945 50.9 -84.0-158.8 175.4 29.3 -21.8 49.1 23 23 A T > - 0 0 41 -2,-0.3 4,-2.7 107,-0.2 5,-0.2 -0.482 40.9-111.7 -77.1 163.4 30.4 -19.3 51.8 24 24 A W H > S+ 0 0 0 105,-0.5 4,-2.9 102,-0.3 5,-0.2 0.927 116.8 52.1 -58.1 -49.2 28.2 -16.5 53.0 25 25 A E H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 112.7 45.2 -58.3 -41.7 30.3 -13.8 51.4 26 26 A N H > S+ 0 0 65 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.895 112.1 51.4 -65.5 -43.3 30.2 -15.5 48.1 27 27 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.922 111.7 48.2 -55.3 -44.5 26.5 -16.2 48.3 28 28 A H H X S+ 0 0 44 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.953 112.0 47.8 -61.2 -51.4 26.1 -12.5 49.1 29 29 A H H X S+ 0 0 119 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.911 112.6 51.0 -54.6 -43.6 28.2 -11.4 46.2 30 30 A E H X S+ 0 0 59 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.923 110.7 46.4 -65.0 -51.7 26.3 -13.8 43.8 31 31 A b H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.918 113.0 49.1 -54.4 -50.0 22.8 -12.6 44.8 32 32 A V H >< S+ 0 0 51 -4,-2.3 3,-2.4 1,-0.3 11,-0.3 0.825 96.7 71.2 -61.8 -31.3 23.7 -9.0 44.5 33 33 A S H 3< S+ 0 0 59 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.710 90.1 62.3 -65.4 -17.1 25.3 -9.6 41.0 34 34 A Y T << S+ 0 0 43 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.525 80.2 121.6 -77.3 -8.6 21.8 -10.1 39.6 35 35 A S < - 0 0 41 -3,-2.4 2,-0.4 8,-0.3 7,-0.2 -0.138 50.1-152.4 -58.1 154.4 20.8 -6.5 40.5 36 36 A c B > > -C 41 0A 11 5,-2.8 5,-2.9 1,-0.1 3,-0.7 -0.909 14.3-174.3-138.6 106.2 19.6 -4.1 37.9 37 37 A S G > 5S+ 0 0 110 -2,-0.4 3,-0.6 1,-0.2 -1,-0.1 0.750 83.0 67.3 -70.2 -27.7 20.0 -0.3 38.3 38 38 A T G 3 5S+ 0 0 60 1,-0.2 -1,-0.2 138,-0.2 139,-0.1 0.775 116.5 26.1 -67.2 -27.3 18.1 0.5 35.1 39 39 A L G < 5S- 0 0 4 -3,-0.7 107,-0.3 2,-0.1 -1,-0.2 0.240 109.8-116.0-115.2 12.8 14.9 -0.8 36.8 40 40 A N T < 5 + 0 0 79 -3,-0.6 100,-2.2 -4,-0.2 2,-0.7 0.854 59.7 158.2 53.7 43.5 15.9 -0.2 40.4 41 41 A V E < -CD 36 139A 6 -5,-2.9 -5,-2.8 98,-0.2 2,-0.5 -0.882 28.1-157.6-101.0 111.8 15.8 -3.9 41.1 42 42 A R E - D 0 138A 74 96,-2.7 96,-2.6 -2,-0.7 2,-0.4 -0.776 5.1-167.3 -85.1 128.8 17.9 -4.9 44.1 43 43 A S E + D 0 137A 0 -2,-0.5 2,-0.3 -11,-0.3 -8,-0.3 -0.966 27.9 140.9-108.5 136.0 18.9 -8.6 44.1 44 44 A D E - D 0 136A 2 92,-1.7 92,-2.5 -2,-0.4 3,-0.1 -0.955 57.4 -62.9-160.5 170.9 20.3 -9.7 47.5 45 45 A L E S- D 0 135A 0 -2,-0.3 90,-0.3 90,-0.2 43,-0.2 -0.394 75.5 -82.7 -63.1 153.2 20.3 -12.6 50.0 46 46 A V - 0 0 0 88,-2.2 28,-2.8 26,-0.3 2,-0.3 -0.249 39.5-157.1 -66.8 135.1 16.9 -13.2 51.3 47 47 A S - 0 0 1 26,-0.2 2,-0.5 -3,-0.1 -1,-0.0 -0.886 10.5-146.1-107.8 147.9 15.5 -11.1 54.1 48 48 A V + 0 0 0 -2,-0.3 45,-0.3 46,-0.2 3,-0.1 -0.963 24.8 166.9-124.6 118.7 12.6 -12.7 56.2 49 49 A H + 0 0 69 -2,-0.5 2,-0.3 1,-0.2 45,-0.3 0.389 61.4 17.6-121.1 7.1 9.9 -10.4 57.7 50 50 A S S > S- 0 0 47 44,-0.1 4,-2.5 1,-0.1 -1,-0.2 -0.970 77.5-102.3-166.0 163.7 7.1 -12.8 58.9 51 51 A A H > S+ 0 0 62 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.842 121.7 57.2 -59.4 -34.3 6.3 -16.3 59.7 52 52 A A H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 108.5 42.3 -64.9 -44.4 4.7 -16.5 56.3 53 53 A E H > S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.916 113.1 55.3 -68.7 -39.0 7.8 -15.5 54.4 54 54 A Q H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.946 112.4 42.0 -51.0 -56.6 9.8 -17.8 56.7 55 55 A A H X S+ 0 0 44 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.899 113.6 53.0 -62.5 -40.3 7.6 -20.8 55.7 56 56 A Y H X S+ 0 0 44 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.927 114.8 40.7 -59.0 -48.2 7.5 -19.7 52.1 57 57 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.938 116.4 49.5 -70.2 -45.5 11.3 -19.6 51.9 58 58 A F H X S+ 0 0 29 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.952 114.6 43.5 -58.6 -52.9 11.8 -22.7 54.0 59 59 A N H X S+ 0 0 103 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.848 111.9 53.9 -64.5 -34.6 9.3 -24.8 51.9 60 60 A Y H X S+ 0 0 36 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.962 113.4 43.0 -61.8 -50.7 10.7 -23.5 48.6 61 61 A W H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-0.9 0.944 117.5 44.3 -57.2 -52.9 14.3 -24.5 49.6 62 62 A R H 3< S+ 0 0 53 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.733 102.1 66.3 -74.0 -22.5 13.3 -28.0 51.0 63 63 A G H 3< S+ 0 0 69 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.810 119.0 25.4 -67.4 -26.2 10.9 -28.7 48.1 64 64 A I H << S+ 0 0 95 -4,-0.9 2,-0.7 -3,-0.9 -2,-0.2 0.808 120.6 52.8 -99.9 -41.6 14.2 -28.8 46.0 65 65 A D < + 0 0 2 -4,-2.9 -1,-0.2 -5,-0.2 4,-0.1 -0.878 48.2 170.2-107.6 108.7 17.0 -29.7 48.4 66 66 A S + 0 0 110 -2,-0.7 -1,-0.1 -3,-0.1 2,-0.1 0.463 45.9 111.2 -95.8 0.1 16.5 -32.8 50.4 67 67 A Q S S- 0 0 121 1,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.396 79.3-105.1 -71.6 147.4 20.1 -32.9 51.7 68 68 A A S S+ 0 0 82 -2,-0.1 2,-0.3 47,-0.0 -1,-0.1 -0.534 78.2 89.3 -64.1 134.0 20.9 -32.2 55.4 69 69 A G - 0 0 15 -2,-0.2 47,-0.9 -4,-0.1 2,-0.3 -0.989 66.9 -82.4 159.4-169.7 22.4 -28.6 55.5 70 70 A Q E -E 115 0A 57 -2,-0.3 62,-2.1 60,-0.2 2,-0.4 -0.786 20.4-134.4-130.8 167.1 21.7 -24.9 55.8 71 71 A L E -Ef 114 132A 0 43,-1.8 43,-2.5 -2,-0.3 62,-0.2 -0.983 24.3-127.1-128.0 119.5 20.6 -22.0 53.7 72 72 A W E -Ef 113 133A 0 60,-3.5 62,-0.9 -2,-0.4 -26,-0.3 -0.352 26.6-172.0 -64.1 138.1 22.3 -18.6 53.9 73 73 A I E - 0 0 0 39,-2.1 2,-0.7 2,-0.2 39,-0.2 -0.855 38.9 -99.7-120.7 172.5 20.1 -15.6 54.5 74 74 A G E S+ 0 0 0 -28,-2.8 13,-2.3 -2,-0.3 2,-0.4 -0.027 80.7 119.2 -83.2 30.5 21.1 -11.9 54.4 75 75 A L E + G 0 86A 0 -2,-0.7 37,-3.1 37,-0.3 2,-0.3 -0.833 32.8 151.7-104.6 133.6 21.5 -11.5 58.2 76 76 A Y E -EG 111 85A 33 9,-1.8 9,-2.3 -2,-0.4 35,-0.2 -0.987 37.4-160.5-157.7 154.0 24.8 -10.5 59.7 77 77 A D + 0 0 2 33,-1.5 6,-0.2 -2,-0.3 34,-0.1 -0.109 50.7 124.2-132.4 37.5 26.4 -8.8 62.6 78 78 A K S S+ 0 0 92 32,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.852 80.2 41.4 -57.6 -48.1 29.9 -8.0 61.3 79 79 A Y S S+ 0 0 171 1,-0.3 2,-0.4 4,-0.1 -1,-0.2 0.868 130.9 20.8 -73.2 -38.3 29.6 -4.2 62.0 80 80 A N S > S- 0 0 100 3,-0.3 3,-2.4 -4,-0.1 -1,-0.3 -0.838 86.3-133.1-137.5 98.5 27.9 -4.4 65.4 81 81 A E T 3 S+ 0 0 90 -2,-0.4 -3,-0.1 -3,-0.3 29,-0.1 -0.224 92.2 13.5 -57.4 131.9 28.3 -7.8 67.1 82 82 A G T 3 S+ 0 0 46 -5,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.218 107.0 93.9 86.3 -14.1 25.0 -9.1 68.5 83 83 A D < - 0 0 108 -3,-2.4 -3,-0.3 -6,-0.2 -4,-0.1 -0.799 65.6-161.3-110.7 84.6 23.0 -6.5 66.4 84 84 A F - 0 0 23 -2,-0.6 2,-0.3 -7,-0.1 -7,-0.2 -0.422 9.5-174.6 -72.0 141.8 22.0 -8.4 63.3 85 85 A I E -G 76 0A 83 -9,-2.3 -9,-1.8 -2,-0.1 2,-0.4 -0.899 27.3-109.8-130.3 158.7 21.0 -6.4 60.2 86 86 A W E > -G 75 0A 6 4,-0.8 3,-1.9 -2,-0.3 -11,-0.2 -0.751 18.4-137.5 -89.4 136.9 19.7 -7.3 56.7 87 87 A T T 3 S+ 0 0 20 -13,-2.3 -1,-0.1 -2,-0.4 -12,-0.1 0.795 102.9 64.2 -61.9 -30.9 22.1 -6.8 53.8 88 88 A D T 3 S- 0 0 15 -43,-0.2 -1,-0.3 -14,-0.2 3,-0.1 0.461 114.8-114.6 -74.5 5.5 19.1 -5.4 51.8 89 89 A G S < S+ 0 0 68 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.354 71.0 137.1 79.7 -5.1 18.7 -2.5 54.3 90 90 A S - 0 0 38 1,-0.1 -4,-0.8 -5,-0.0 -1,-0.3 -0.456 60.1-102.7 -71.0 152.6 15.3 -3.6 55.5 91 91 A K - 0 0 189 -6,-0.1 2,-0.6 -2,-0.1 -1,-0.1 -0.441 28.8-116.7 -77.3 144.6 14.7 -3.4 59.3 92 92 A V + 0 0 56 -8,-0.2 3,-0.1 1,-0.2 -43,-0.1 -0.720 56.6 137.0 -81.7 118.1 14.9 -6.5 61.4 93 93 A G + 0 0 61 -2,-0.6 -1,-0.2 1,-0.4 -44,-0.1 0.471 58.7 52.4-117.1 -79.2 11.5 -7.2 63.0 94 94 A Y + 0 0 52 -45,-0.3 -1,-0.4 -46,-0.1 2,-0.3 -0.312 64.2 175.1 -56.1 133.2 10.7 -10.9 62.8 95 95 A T - 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