==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 16-MAR-09 3A0C . COMPND 2 MOLECULE: MANNOSE/SIALIC ACID-BINDING LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: POLYGONATUM CYRTONEMA; . AUTHOR J.DING,D.C.WANG . 436 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 71.6 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 . 177 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 . 20 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 78 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 3 13 16 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 12 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 V 0 0 72 0, 0.0 16,-2.0 0, 0.0 127,-0.1 0.000 360.0 360.0 360.0 135.5 4.5 6.5 16.2 2 2 A N + 0 0 1 14,-0.3 87,-2.3 21,-0.1 2,-0.3 -0.045 360.0 72.6-122.9 31.9 7.9 6.5 14.5 3 3 A S E -A 88 0A 14 85,-0.2 2,-0.4 14,-0.1 85,-0.2 -0.992 51.5-165.5-145.7 151.7 8.5 10.3 14.5 4 4 A L E -A 87 0A 7 83,-2.0 83,-2.9 -2,-0.3 2,-0.3 -0.957 20.0-160.1-137.2 114.2 9.4 13.0 16.9 5 5 A S E > -A 86 0A 27 -2,-0.4 3,-2.7 81,-0.2 81,-0.3 -0.765 33.8 -50.6-105.9 147.8 9.0 16.6 15.8 6 6 A S T 3 S+ 0 0 10 79,-2.9 52,-0.2 1,-0.3 -1,-0.1 -0.187 118.3 5.5 -49.9 135.1 10.4 19.9 17.0 7 7 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 51,-0.1 -0.718 101.4 111.5-108.5 39.1 10.4 20.8 19.8 8 8 A N < - 0 0 101 -3,-2.7 49,-1.9 48,-0.1 2,-0.3 -0.067 50.4-144.2 -64.3 169.3 9.0 17.6 21.3 9 9 A S E -D 56 0B 15 47,-0.2 2,-0.7 -3,-0.1 47,-0.2 -0.953 15.7-135.8-140.0 156.2 10.8 15.2 23.5 10 10 A L E -D 55 0B 10 45,-2.3 45,-1.9 -2,-0.3 3,-0.1 -0.900 34.8-158.6-109.8 96.7 11.2 11.5 24.2 11 11 A F > - 0 0 105 -2,-0.7 3,-2.3 43,-0.2 15,-0.3 -0.088 41.3 -52.7 -70.4 175.4 11.2 11.3 28.0 12 12 A T T 3 S+ 0 0 56 41,-0.5 15,-0.2 1,-0.3 -1,-0.2 -0.197 128.8 12.1 -51.3 132.1 12.6 8.4 30.0 13 13 A G T 3 S+ 0 0 46 13,-3.2 -1,-0.3 1,-0.3 14,-0.1 0.165 99.1 123.7 86.3 -19.9 11.2 5.1 28.9 14 14 A H < + 0 0 95 -3,-2.3 12,-2.8 12,-0.3 2,-0.3 -0.368 34.7 172.4 -76.9 155.9 9.6 6.5 25.7 15 15 A S E -G 25 0C 37 10,-0.2 2,-0.3 -3,-0.1 10,-0.2 -0.984 31.4-126.6-157.5 164.2 10.3 5.2 22.2 16 16 A L E -G 24 0C 7 8,-2.2 8,-2.6 -2,-0.3 2,-0.4 -0.837 30.3-166.2-110.0 150.9 9.5 5.3 18.5 17 17 A E E +G 23 0C 113 -16,-2.0 2,-0.3 -2,-0.3 6,-0.2 -1.000 14.1 165.2-145.2 142.5 8.7 2.1 16.7 18 18 A V E > -G 22 0C 13 4,-1.8 4,-2.4 -2,-0.4 72,-0.1 -0.977 35.8 -55.1-150.7 154.6 8.4 1.0 13.1 19 19 A G T 4 S+ 0 0 31 -2,-0.3 74,-0.2 1,-0.2 2,-0.1 -0.344 101.4 32.6 -73.5 160.4 8.3 -2.3 11.3 20 20 A P T 4 S- 0 0 104 0, 0.0 -1,-0.2 0, 0.0 71,-0.1 -0.866 130.5 -48.5 -70.5 -40.4 9.7 -4.8 10.8 21 21 A S T 4 S+ 0 0 38 -2,-0.1 16,-2.5 70,-0.1 2,-0.4 -0.146 85.8 140.1-155.8 50.0 11.0 -4.9 14.4 22 22 A Y E < +GH 18 36C 32 -4,-2.4 -4,-1.8 14,-0.2 2,-0.3 -0.822 19.1 173.0-107.3 137.6 12.6 -1.5 15.2 23 23 A R E -GH 17 35C 119 12,-1.9 12,-3.2 -2,-0.4 2,-0.7 -0.957 14.8-162.6-143.9 120.6 12.4 0.5 18.5 24 24 A L E -GH 16 34C 0 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.4 -0.906 25.8-174.2-104.9 109.1 14.3 3.6 19.3 25 25 A I E -GH 15 33C 41 8,-2.3 8,-1.7 -2,-0.7 2,-1.1 -0.856 33.5-146.0-117.5 142.6 14.2 4.1 23.1 26 26 A M E - H 0 32C 0 -12,-2.8 -13,-3.2 -2,-0.4 -12,-0.3 -0.826 39.9-154.2 -97.9 92.4 15.2 6.8 25.6 27 27 A Q > - 0 0 30 4,-1.7 3,-1.3 -2,-1.1 26,-0.2 -0.101 24.4-112.3 -69.0 165.6 16.2 4.4 28.4 28 28 A G T 3 S+ 0 0 47 1,-0.3 24,-0.5 -16,-0.1 25,-0.2 0.656 115.4 61.1 -71.9 -16.3 16.3 5.1 32.1 29 29 A D T 3 S- 0 0 68 2,-0.2 19,-4.1 22,-0.1 21,-0.6 0.313 119.4-109.0 -91.9 8.1 20.1 4.9 32.2 30 30 A a S < S+ 0 0 0 -3,-1.3 2,-0.6 1,-0.3 16,-0.2 0.494 76.2 136.9 77.1 7.9 20.2 7.8 29.8 31 31 A N - 0 0 28 14,-0.1 -4,-1.7 19,-0.1 2,-0.9 -0.765 45.1-152.5 -89.2 121.9 21.4 5.6 27.0 32 32 A F E +H 26 0C 0 -2,-0.6 12,-2.3 -6,-0.2 2,-0.3 -0.839 30.5 170.3 -95.6 106.0 19.6 6.4 23.7 33 33 A V E -HI 25 43C 1 -8,-1.7 -8,-2.3 -2,-0.9 2,-0.5 -0.916 34.4-137.7-127.7 148.0 19.6 3.1 21.8 34 34 A L E -HI 24 42C 0 8,-3.2 7,-2.3 -2,-0.3 8,-1.2 -0.869 24.2-157.4 -99.9 122.6 18.1 1.6 18.6 35 35 A Y E -HI 23 40C 57 -12,-3.2 -12,-1.9 -2,-0.5 2,-0.5 -0.831 12.7-167.5-105.9 141.3 16.9 -2.0 19.0 36 36 A D E > S-HI 22 39C 28 3,-2.8 3,-1.7 -2,-0.4 -14,-0.2 -0.919 82.2 -33.7-125.4 100.1 16.4 -4.5 16.2 37 37 A S T 3 S- 0 0 83 -16,-2.5 -15,-0.1 -2,-0.5 -1,-0.1 0.819 127.3 -42.9 56.5 34.3 14.4 -7.5 17.5 38 38 A G T 3 S+ 0 0 46 -17,-0.3 -1,-0.3 1,-0.3 -16,-0.1 0.359 117.8 114.5 95.7 -6.3 16.0 -7.1 20.9 39 39 A K E < -I 36 0C 121 -3,-1.7 -3,-2.8 2,-0.0 2,-0.7 -0.871 67.8-129.5-103.0 123.5 19.4 -6.5 19.5 40 40 A P E +I 35 0C 81 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.609 34.0 167.3 -73.7 114.4 21.1 -3.1 20.0 41 41 A V E + 0 0 31 -7,-2.3 2,-0.3 -2,-0.7 -6,-0.2 0.544 66.7 14.0-101.2 -13.8 22.2 -1.9 16.6 42 42 A W E +I 34 0C 50 -8,-1.2 -8,-3.2 175,-0.0 2,-0.3 -0.981 62.9 168.1-160.2 150.5 22.9 1.7 17.6 43 43 A A E -I 33 0C 22 -2,-0.3 -10,-0.3 -10,-0.3 -12,-0.0 -0.986 42.3-127.7-163.3 154.2 23.3 3.8 20.7 44 44 A S - 0 0 9 -12,-2.3 -11,-0.1 -2,-0.3 -1,-0.1 0.558 46.6-135.8 -79.1 -9.6 24.4 7.2 22.0 45 45 A N + 0 0 141 -13,-0.3 -14,-0.1 1,-0.1 -12,-0.1 0.793 68.9 123.4 60.3 29.4 26.6 5.3 24.4 46 46 A T > + 0 0 6 -16,-0.2 3,-2.3 -14,-0.1 4,-0.3 0.152 30.1 148.6-104.9 19.0 25.6 7.6 27.3 47 47 A G T 3 S+ 0 0 37 1,-0.3 -17,-0.2 2,-0.1 -19,-0.0 -0.319 71.8 11.4 -58.1 124.4 24.3 4.8 29.5 48 48 A G T 3 S+ 0 0 64 -19,-4.1 -1,-0.3 2,-0.3 -18,-0.2 0.437 96.1 108.8 88.8 0.2 24.9 5.6 33.1 49 49 A L S < S+ 0 0 105 -3,-2.3 2,-0.3 -20,-0.6 -2,-0.1 0.558 84.2 0.7 -85.8 -9.6 25.8 9.3 32.5 50 50 A G - 0 0 16 -21,-0.6 2,-0.4 -4,-0.3 -2,-0.3 -0.980 61.6-117.9-164.6 176.1 22.5 10.7 33.9 51 51 A S S S+ 0 0 82 -2,-0.3 17,-1.8 1,-0.2 18,-0.2 -0.948 89.0 10.9-126.2 146.0 19.1 10.2 35.6 52 52 A G S S- 0 0 27 -24,-0.5 -1,-0.2 -2,-0.4 -40,-0.1 0.882 84.9-178.3 57.4 39.9 15.7 11.1 34.3 53 53 A a - 0 0 1 -25,-0.2 -41,-0.5 -26,-0.2 2,-0.3 -0.279 13.1-170.4 -71.0 157.1 17.0 11.8 30.8 54 54 A R E - E 0 66B 57 12,-1.4 12,-2.0 -43,-0.2 2,-0.7 -0.974 20.8-131.6-143.4 148.6 14.9 13.0 27.8 55 55 A L E -DE 10 65B 0 -45,-1.9 -45,-2.3 -2,-0.3 2,-0.4 -0.927 28.2-170.3-107.0 113.6 15.8 13.3 24.2 56 56 A T E -DE 9 64B 8 8,-2.9 8,-2.9 -2,-0.7 2,-0.7 -0.885 16.3-157.8-109.6 133.3 14.8 16.7 22.8 57 57 A L E - E 0 63B 0 -49,-1.9 6,-0.2 -2,-0.4 28,-0.1 -0.933 23.4-150.3-105.8 107.9 14.8 17.8 19.2 58 58 A H > - 0 0 52 4,-2.6 3,-1.8 -2,-0.7 -52,-0.2 -0.291 26.5-106.2 -74.7 163.7 14.9 21.6 19.1 59 59 A N T 3 S+ 0 0 36 1,-0.3 24,-3.0 2,-0.1 -1,-0.1 0.524 117.1 62.2 -68.4 -5.1 13.4 23.8 16.4 60 60 A N T 3 S- 0 0 16 22,-0.2 20,-3.9 2,-0.2 -1,-0.3 0.361 120.9-101.5-101.5 5.1 16.9 24.5 15.1 61 61 A G S < S+ 0 0 0 -3,-1.8 2,-0.5 1,-0.3 17,-0.3 0.434 77.7 135.6 93.9 -0.3 17.7 20.9 14.2 62 62 A N - 0 0 4 15,-0.1 -4,-2.6 18,-0.1 2,-0.6 -0.724 41.6-155.1 -88.1 125.5 19.8 20.1 17.2 63 63 A L E +E 57 0B 0 -2,-0.5 13,-2.0 -6,-0.2 14,-0.4 -0.893 22.2 179.7-100.9 116.9 19.0 16.8 18.9 64 64 A V E -EF 56 75B 0 -8,-2.9 -8,-2.9 -2,-0.6 2,-0.5 -0.920 27.2-146.7-125.9 145.2 20.1 16.8 22.6 65 65 A I E -EF 55 74B 0 9,-3.4 8,-2.2 -2,-0.3 9,-1.2 -0.939 23.1-172.6-107.2 123.6 20.0 14.4 25.6 66 66 A Y E -EF 54 72B 17 -12,-2.0 -12,-1.4 -2,-0.5 6,-0.2 -0.921 14.8-138.1-116.2 141.8 19.5 16.2 28.9 67 67 A D > - 0 0 15 4,-1.6 3,-1.3 -2,-0.4 -15,-0.2 -0.094 45.1 -83.8 -81.8-166.6 19.7 14.6 32.4 68 68 A Q T 3 S+ 0 0 125 -17,-1.8 -16,-0.1 1,-0.3 -1,-0.1 0.705 132.1 53.4 -73.2 -18.5 17.2 15.4 35.1 69 69 A S T 3 S- 0 0 1 -18,-0.2 -1,-0.3 2,-0.1 211,-0.1 0.118 121.2-106.4-100.6 19.2 19.3 18.5 36.1 70 70 A N < + 0 0 37 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.746 66.3 155.8 62.3 28.6 19.2 19.8 32.5 71 71 A R - 0 0 67 1,-0.1 -4,-1.6 2,-0.0 2,-1.3 -0.693 51.7-114.8 -87.1 137.1 22.8 18.9 31.8 72 72 A V E +F 66 0B 31 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.575 43.8 166.4 -73.5 95.2 23.8 18.4 28.1 73 73 A I E - 0 0 38 -8,-2.2 2,-0.3 -2,-1.3 -1,-0.2 0.800 65.9 -6.6 -79.9 -31.0 24.7 14.7 28.2 74 74 A W E +F 65 0B 49 -9,-1.2 -9,-3.4 -3,-0.2 2,-0.3 -0.975 62.8 174.0-163.7 150.9 24.8 14.3 24.4 75 75 A Q E -F 64 0B 49 -2,-0.3 -11,-0.2 -11,-0.3 -13,-0.0 -0.970 35.2-141.5-163.0 147.9 24.0 16.2 21.2 76 76 A T - 0 0 19 -13,-2.0 -12,-0.1 -2,-0.3 -1,-0.1 0.660 36.4-147.1 -84.5 -15.3 24.3 15.9 17.5 77 77 A K + 0 0 91 -14,-0.4 2,-0.5 1,-0.2 -15,-0.1 0.751 52.7 137.6 54.0 29.3 25.1 19.6 17.5 78 78 A T + 0 0 32 -17,-0.3 2,-0.5 -15,-0.1 -1,-0.2 -0.329 23.3 148.7 -98.1 49.8 23.4 19.9 14.1 79 79 A N + 0 0 32 -2,-0.5 -18,-0.2 -18,-0.1 2,-0.1 -0.748 8.9 132.5 -92.1 128.3 21.6 23.1 14.9 80 80 A G + 0 0 46 -20,-3.9 -18,-0.1 -2,-0.5 -1,-0.1 -0.173 51.9 21.9-135.9-128.9 21.0 25.6 12.1 81 81 A K S S- 0 0 132 1,-0.1 2,-0.8 -2,-0.1 -1,-0.3 -0.245 74.2-120.1 -55.2 124.4 18.0 27.6 10.9 82 82 A E S S+ 0 0 120 1,-0.1 -22,-0.2 -3,-0.1 -1,-0.1 -0.550 75.3 98.3 -67.9 105.0 15.4 28.2 13.6 83 83 A D S S- 0 0 33 -24,-3.0 2,-0.3 -2,-0.8 -1,-0.1 -0.264 80.4 -57.0-151.4-120.9 12.3 26.5 12.0 84 84 A H + 0 0 85 -2,-0.1 2,-0.2 -24,-0.1 -25,-0.1 -0.986 49.2 177.7-146.3 134.2 10.8 23.1 12.6 85 85 A Y - 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