==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 18-MAY-05 2BS6 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA SOLANACEARUM; . AUTHOR E.P.MITCHELL,N.KOSTLANOVA,M.WIMMEROVA,A.IMBERTY . 266 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 51.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 15 5.6 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 . 1 0.4 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 . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 3.4 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 . 3 1.1 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 4 0 0 2 9 0 3 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 5 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 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 S 0 0 163 0, 0.0 246,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 164.1 25.8 -0.1 22.7 2 2 A S B -a 247 0A 42 244,-0.1 246,-0.2 223,-0.1 244,-0.0 -0.993 360.0 -94.0-151.7 161.3 24.0 1.1 19.6 3 3 A V - 0 0 7 244,-2.8 2,-0.4 -2,-0.3 19,-0.2 -0.195 38.0-133.6 -64.9 166.8 24.3 3.5 16.7 4 4 A Q E -B 21 0B 34 17,-1.7 17,-3.0 222,-0.1 2,-0.3 -0.998 22.7-164.8-132.5 125.3 22.9 7.0 17.1 5 5 A T E -B 20 0B 5 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.741 14.6-170.9-112.9 160.1 20.7 8.6 14.4 6 6 A A E -B 19 0B 9 13,-2.1 13,-3.2 -2,-0.3 2,-0.3 -0.981 14.7-163.0-139.4 149.1 19.4 12.0 13.5 7 7 A A E +B 18 0B 16 222,-0.3 2,-0.3 -2,-0.3 11,-0.2 -0.969 12.4 177.2-139.1 148.3 16.7 12.8 10.8 8 8 A T E -B 17 0B 14 9,-2.1 9,-2.7 -2,-0.3 2,-0.3 -0.959 6.8-175.1-141.5 158.2 15.4 15.7 8.7 9 9 A S E -B 16 0B 18 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.970 2.6-168.6-150.2 159.8 12.8 16.0 6.0 10 10 A W E > +B 15 0B 37 5,-2.1 5,-2.4 -2,-0.3 3,-0.2 -0.991 45.9 6.3-153.4 160.0 11.4 18.5 3.6 11 11 A G T 5S- 0 0 41 -2,-0.3 222,-0.1 3,-0.2 46,-0.0 -0.141 87.5 -75.3 59.6-163.0 8.5 19.1 1.2 12 12 A T T 5S+ 0 0 98 2,-0.1 -1,-0.2 1,-0.1 220,-0.1 0.456 123.4 55.2-111.4 -4.1 5.6 16.8 0.7 13 13 A V T 5S- 0 0 100 -3,-0.2 -2,-0.1 19,-0.0 -1,-0.1 0.950 112.5-134.0 -57.0 -51.2 7.2 14.0 -1.4 14 14 A P T 5 - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 0.742 31.1-151.6 -93.1 179.5 9.0 14.1 1.1 15 15 A S E < -B 10 0B 16 -5,-2.4 -5,-2.1 17,-0.1 2,-0.4 -0.904 22.5-171.1 -95.1 142.3 12.8 14.0 0.9 16 16 A I E -BC 9 31B 3 15,-2.3 15,-2.5 -2,-0.4 2,-0.4 -0.986 13.5-165.9-131.2 141.4 14.3 12.5 4.0 17 17 A R E -BC 8 30B 26 -9,-2.7 -9,-2.1 -2,-0.4 2,-0.5 -1.000 5.2-167.7-126.5 128.7 17.9 12.3 5.3 18 18 A V E -BC 7 29B 0 11,-3.0 11,-2.7 -2,-0.4 2,-0.4 -0.983 4.7-162.0-114.9 122.4 18.9 9.9 8.0 19 19 A Y E -BC 6 28B 0 -13,-3.2 -13,-2.1 -2,-0.5 2,-0.4 -0.873 5.8-166.5-103.7 134.8 22.4 10.4 9.6 20 20 A T E -BC 5 27B 10 7,-2.4 7,-2.2 -2,-0.4 2,-0.5 -0.982 13.3-153.2-127.0 123.6 23.9 7.5 11.6 21 21 A A E +BC 4 26B 7 -17,-3.0 -17,-1.7 -2,-0.4 2,-0.4 -0.845 27.1 167.9 -87.9 123.5 26.9 7.7 14.0 22 22 A N E > - C 0 25B 67 3,-2.5 3,-1.6 -2,-0.5 23,-0.1 -0.963 65.3 -21.6-146.5 110.3 28.5 4.2 14.1 23 23 A N T 3 S- 0 0 158 -2,-0.4 23,-0.1 1,-0.3 3,-0.1 0.887 128.6 -46.2 52.4 43.8 31.9 3.5 15.6 24 24 A G T 3 S+ 0 0 13 1,-0.2 21,-2.1 21,-0.1 2,-0.4 0.485 119.9 100.6 82.8 6.3 33.1 7.1 15.2 25 25 A K E < -CD 22 44B 103 -3,-1.6 -3,-2.5 19,-0.3 2,-0.5 -0.974 57.5-149.7-125.9 136.7 31.9 7.6 11.6 26 26 A I E +CD 21 43B 0 17,-3.0 17,-1.8 -2,-0.4 2,-0.2 -0.923 20.1 175.9-105.4 128.4 28.7 9.4 10.4 27 27 A T E -CD 20 42B 54 -7,-2.2 -7,-2.4 -2,-0.5 2,-0.4 -0.747 18.9-130.8-124.4 173.4 27.0 8.2 7.2 28 28 A E E -C 19 0B 8 13,-0.6 11,-2.7 11,-0.3 2,-0.4 -0.981 9.7-163.8-136.6 132.6 23.8 9.3 5.5 29 29 A R E -CD 18 38B 36 -11,-2.7 -11,-3.0 -2,-0.4 2,-0.4 -0.952 20.9-157.6-116.5 139.4 20.8 7.5 4.0 30 30 A C E -CD 17 37B 2 7,-2.7 7,-2.0 -2,-0.4 2,-0.4 -0.938 17.6-172.1-129.1 140.4 18.6 9.4 1.6 31 31 A W E +CD 16 36B 69 -15,-2.5 -15,-2.3 -2,-0.4 5,-0.1 -0.998 14.0 163.2-128.7 127.1 15.0 9.2 0.3 32 32 A D S S- 0 0 64 3,-0.6 -17,-0.1 -2,-0.4 4,-0.1 0.067 77.2 -75.7-127.6 21.3 13.7 11.5 -2.5 33 33 A G S S+ 0 0 36 2,-0.1 3,-0.1 -19,-0.1 -18,-0.1 0.249 121.8 69.0 112.4 -10.8 10.6 9.5 -3.4 34 34 A K S S- 0 0 211 1,-0.5 2,-0.0 0, 0.0 -3,-0.0 -0.254 107.0 -48.7-142.4 43.4 12.2 6.6 -5.3 35 35 A G - 0 0 32 2,-0.0 -3,-0.6 0, 0.0 -1,-0.5 -0.005 63.8 -76.2 106.5 154.5 14.2 4.4 -2.9 36 36 A W E +D 31 0B 48 -5,-0.1 2,-0.3 -3,-0.1 -5,-0.2 -0.706 50.5 174.5 -85.1 134.1 16.8 4.7 -0.2 37 37 A Y E -D 30 0B 102 -7,-2.0 -7,-2.7 -2,-0.4 2,-0.5 -0.918 37.9 -95.8-135.9 160.8 20.4 5.4 -1.2 38 38 A T E -D 29 0B 92 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.0 -0.649 46.6-140.2 -79.0 122.4 23.7 6.2 0.4 39 39 A G E - 0 0 13 -11,-2.7 -11,-0.3 -2,-0.5 -1,-0.1 -0.243 20.4-106.5 -80.9 172.7 24.3 9.9 0.5 40 40 A A E S+ 0 0 80 -13,-0.1 2,-0.4 -2,-0.0 -1,-0.1 0.737 87.1 103.9 -67.1 -24.4 27.4 12.0 -0.1 41 41 A F E + 0 0 2 39,-0.0 -13,-0.6 -14,-0.0 2,-0.3 -0.434 35.2 149.3 -72.7 122.5 27.8 12.8 3.6 42 42 A N E +D 27 0B 95 -2,-0.4 -15,-0.2 -15,-0.2 -17,-0.0 -0.829 16.6 138.2-152.9 105.2 30.6 10.8 5.3 43 43 A E E -D 26 0B 51 -17,-1.8 -17,-3.0 -2,-0.3 2,-0.1 -0.981 51.7 -87.9-148.4 157.1 32.5 12.4 8.2 44 44 A P E +D 25 0B 68 0, 0.0 -19,-0.3 0, 0.0 2,-0.2 -0.376 58.8 126.3 -71.6 144.6 33.8 11.5 11.6 45 45 A G - 0 0 0 -21,-2.1 -23,-0.3 -23,-0.1 22,-0.2 -0.749 48.7-151.2 173.5 144.4 31.7 11.8 14.7 46 46 A D S S+ 0 0 78 20,-2.9 2,-0.3 1,-0.2 21,-0.2 0.531 94.8 31.5 -94.5 -11.7 30.4 9.9 17.7 47 47 A N E -E 66 0C 10 19,-1.4 19,-2.9 -23,-0.1 2,-0.3 -0.993 68.6-171.4-147.6 144.0 27.3 12.0 17.8 48 48 A V E +E 65 0C 1 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.991 9.4 171.6-138.5 139.3 25.2 13.7 15.2 49 49 A S E -E 64 0C 7 15,-1.5 15,-2.7 -2,-0.3 2,-0.3 -0.934 14.4-166.4-134.3 165.9 22.3 16.1 15.0 50 50 A V E -E 63 0C 14 -2,-0.3 47,-0.3 13,-0.2 2,-0.3 -0.993 13.4-179.2-150.8 152.4 20.8 17.9 12.0 51 51 A T E -E 62 0C 13 11,-2.0 11,-2.7 -2,-0.3 2,-0.3 -0.961 10.4-173.9-147.2 154.6 18.5 20.6 10.9 52 52 A S E -E 61 0C 19 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.990 7.0-170.1-147.6 157.4 17.4 21.9 7.5 53 53 A W E -E 60 0C 20 7,-2.2 7,-2.3 -2,-0.3 2,-0.4 -0.987 20.8-124.6-146.2 149.3 15.4 24.7 5.8 54 54 A L E -E 59 0C 62 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.783 11.0-168.4 -93.9 141.9 14.1 25.4 2.3 55 55 A V E > S-E 58 0C 64 3,-2.4 3,-2.3 -2,-0.4 2,-0.3 -0.965 78.0 -49.5-122.7 103.8 14.9 28.5 0.3 56 56 A G T 3 S- 0 0 72 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.483 122.0 -26.6 57.7-121.9 12.4 28.2 -2.5 57 57 A S T 3 S+ 0 0 122 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.382 117.4 102.9 -98.8 5.1 12.9 24.6 -3.7 58 58 A A E < -E 55 0C 48 -3,-2.3 -3,-2.4 19,-0.0 2,-0.3 -0.774 63.6-141.8 -97.6 125.5 16.6 24.5 -2.6 59 59 A I E -E 54 0C 20 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.647 11.4-164.8 -85.8 140.2 17.4 22.5 0.6 60 60 A H E -E 53 0C 40 -7,-2.3 -7,-2.2 -2,-0.3 2,-0.4 -0.993 11.0-170.4-121.6 132.2 20.0 23.8 3.0 61 61 A I E -EF 52 76C 3 15,-2.3 15,-2.6 -2,-0.4 2,-0.4 -0.956 14.9-166.7-129.9 139.0 21.3 21.4 5.6 62 62 A R E -EF 51 75C 50 -11,-2.7 -11,-2.0 -2,-0.4 2,-0.5 -0.996 8.6-169.2-124.0 122.6 23.5 21.7 8.7 63 63 A V E -EF 50 74C 0 11,-2.6 11,-3.0 -2,-0.4 2,-0.7 -0.966 9.3-153.1-111.2 128.9 24.9 18.6 10.3 64 64 A Y E -EF 49 73C 0 -15,-2.7 -15,-1.5 -2,-0.5 2,-0.5 -0.889 14.0-171.6-107.6 112.0 26.6 18.9 13.8 65 65 A A E -EF 48 72C 3 7,-2.7 7,-3.3 -2,-0.7 2,-0.4 -0.913 5.2-167.4-109.7 122.6 29.2 16.1 14.3 66 66 A S E +EF 47 71C 0 -19,-2.9 -20,-2.9 -2,-0.5 -19,-1.4 -0.922 19.8 172.1-119.3 139.0 30.7 15.7 17.7 67 67 A T E > S- F 0 70C 67 3,-2.1 3,-2.4 -2,-0.4 25,-0.1 -0.983 75.5 -32.4-133.5 132.0 33.7 13.8 19.1 68 68 A G T 3 S- 0 0 30 23,-0.4 25,-3.0 -2,-0.3 -22,-0.0 -0.437 126.0 -31.9 57.1-125.5 34.6 14.5 22.7 69 69 A T T 3 S+ 0 0 88 23,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.217 115.8 105.5-104.2 10.2 33.7 18.1 23.3 70 70 A T E < -F 67 0C 91 -3,-2.4 -3,-2.1 17,-0.1 2,-0.5 -0.837 49.6-169.2-101.4 120.4 34.5 19.2 19.7 71 71 A T E -F 66 0C 4 -2,-0.6 2,-0.5 -5,-0.2 17,-0.4 -0.942 2.2-163.8-111.0 128.6 31.5 19.9 17.5 72 72 A T E -F 65 0C 43 -7,-3.3 -7,-2.7 -2,-0.5 2,-0.6 -0.923 10.6-144.3-110.5 132.1 32.0 20.4 13.7 73 73 A E E -F 64 0C 8 -2,-0.5 11,-2.6 13,-0.3 2,-0.4 -0.855 13.1-163.1 -97.5 122.6 29.3 22.0 11.6 74 74 A W E -FG 63 83C 29 -11,-3.0 -11,-2.6 -2,-0.6 2,-0.4 -0.891 9.5-153.0-108.3 137.0 28.9 20.6 8.1 75 75 A C E -FG 62 82C 18 7,-2.7 7,-2.0 -2,-0.4 2,-0.5 -0.935 15.9-175.6-122.6 127.8 27.0 22.6 5.5 76 76 A W E +FG 61 81C 68 -15,-2.6 -15,-2.3 -2,-0.4 5,-0.1 -0.986 16.8 156.4-117.6 125.2 25.1 21.7 2.4 77 77 A G S S- 0 0 37 3,-0.6 -17,-0.1 -2,-0.5 -1,-0.1 -0.013 78.7 -73.2-133.9 30.2 23.6 24.4 0.1 78 78 A G S S+ 0 0 44 2,-0.1 3,-0.1 -20,-0.0 -18,-0.1 0.211 121.6 70.9 111.9 -7.8 23.4 22.4 -3.1 79 79 A N S S- 0 0 161 1,-0.5 2,-0.2 0, 0.0 -3,-0.1 0.279 106.6 -63.1-126.9 9.7 27.0 22.2 -4.2 80 80 A G - 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0 0 42 -25,-0.1 -23,-0.2 -46,-0.1 -26,-0.0 -0.972 360.0 -94.0-144.8 162.1 31.2 12.7 23.6 93 3 B V - 0 0 7 -25,-3.0 2,-0.4 -2,-0.3 19,-0.2 -0.218 38.6-132.2 -64.5 168.2 28.9 15.6 24.1 94 4 B Q E -H 111 0D 35 17,-1.8 17,-3.0 -47,-0.0 2,-0.3 -0.997 23.6-165.6-131.0 126.4 25.3 15.1 22.7 95 5 B T E -H 110 0D 4 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.780 14.7-169.9-115.3 164.0 23.6 17.8 20.5 96 6 B A E -H 109 0D 8 13,-2.1 13,-3.2 -2,-0.3 2,-0.3 -0.987 14.3-162.4-143.3 148.0 20.2 18.7 19.2 97 7 B A E +H 108 0D 16 -47,-0.3 2,-0.3 -2,-0.3 11,-0.2 -0.971 12.4 175.4-137.3 148.8 19.4 21.4 16.6 98 8 B T E -H 107 0D 15 9,-2.4 9,-2.6 -2,-0.3 2,-0.3 -0.961 6.4-175.4-144.4 157.3 16.4 23.4 15.3 99 9 B S E -H 106 0D 18 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.974 3.1-167.1-151.0 156.1 16.0 26.2 12.7 100 10 B W E > +H 105 0D 38 5,-2.0 5,-2.4 -2,-0.3 3,-0.2 -0.988 48.2 7.3-149.2 157.4 13.3 28.5 11.4 101 11 B G T 5S- 0 0 40 -2,-0.3 -47,-0.1 3,-0.2 46,-0.0 -0.205 88.1 -77.5 66.1-163.6 12.7 30.9 8.5 102 12 B T T 5S+ 0 0 91 2,-0.1 -1,-0.2 1,-0.1 -49,-0.1 0.438 121.6 57.6-115.3 -2.0 15.0 31.3 5.5 103 13 B V T 5S- 0 0 105 -3,-0.2 -2,-0.1 19,-0.0 2,-0.1 0.956 112.7-130.8 -56.8 -51.9 17.8 33.4 7.0 104 14 B P T 5 - 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