==== 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 27-MAY-05 2BT9 . 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) . 11849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 62.8 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 . 138 51.9 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 . 3 1.1 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 . 20 7.5 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 . 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 0 3 0 0 3 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 6 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 S 0 0 159 0, 0.0 2,-0.4 0, 0.0 245,-0.1 0.000 360.0 360.0 360.0 -23.7 -8.3 20.0 19.7 2 2 A S - 0 0 24 244,-0.1 246,-0.2 243,-0.1 243,-0.0 -0.840 360.0-114.7-110.7 148.1 -7.5 20.1 15.9 3 3 A V - 0 0 6 244,-2.6 2,-0.4 -2,-0.4 19,-0.2 -0.173 27.4-132.9 -65.9 165.0 -7.4 23.0 13.6 4 4 A Q E -A 21 0A 31 17,-1.8 17,-3.0 244,-0.0 2,-0.3 -0.981 23.3-167.3-128.8 132.5 -9.9 23.1 10.7 5 5 A T E -A 20 0A 6 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.820 16.2-166.2-124.2 163.4 -9.0 24.0 7.1 6 6 A A E -A 19 0A 9 13,-2.1 13,-3.0 -2,-0.3 2,-0.3 -0.987 15.6-164.0-141.5 145.5 -10.5 24.9 3.7 7 7 A A E +A 18 0A 14 -2,-0.3 2,-0.3 222,-0.3 11,-0.2 -0.977 11.7 174.7-136.5 148.0 -8.7 24.8 0.4 8 8 A T E -A 17 0A 13 9,-2.2 9,-2.6 -2,-0.3 2,-0.3 -0.962 6.5-175.3-144.2 160.7 -9.2 26.2 -3.1 9 9 A S E -A 16 0A 18 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.974 3.4-165.3-152.8 160.9 -7.1 26.2 -6.3 10 10 A W E > +A 15 0A 37 5,-2.0 5,-2.3 -2,-0.3 3,-0.2 -0.995 46.8 5.2-153.4 156.4 -7.1 27.6 -9.8 11 11 A G T 5S- 0 0 40 -2,-0.3 222,-0.1 3,-0.2 46,-0.0 -0.207 88.9 -72.0 64.7-164.1 -5.4 27.2 -13.1 12 12 A T T 5S+ 0 0 89 1,-0.1 -1,-0.2 2,-0.1 220,-0.1 0.508 124.0 52.9-105.6 -10.6 -2.8 24.6 -14.0 13 13 A V T 5S- 0 0 102 -3,-0.2 -2,-0.1 19,-0.0 2,-0.1 0.942 111.9-133.9 -58.4 -47.8 0.3 25.8 -12.1 14 14 A P T 5 - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 0.762 29.4-150.8 -91.2 176.8 -1.8 25.8 -9.8 15 15 A S E < -A 10 0A 18 -5,-2.3 -5,-2.0 17,-0.1 2,-0.4 -0.870 23.5-168.7 -90.0 141.9 -2.3 28.5 -7.3 16 16 A I E -AB 9 31A 3 15,-2.4 15,-2.4 -2,-0.4 2,-0.4 -0.983 13.2-167.2-129.8 142.1 -3.6 27.1 -4.0 17 17 A R E -AB 8 30A 28 -9,-2.6 -9,-2.2 -2,-0.4 2,-0.5 -1.000 5.4-169.2-128.4 130.3 -5.0 28.9 -0.9 18 18 A V E -AB 7 29A 0 11,-2.8 11,-2.6 -2,-0.4 2,-0.4 -0.986 5.2-160.8-121.5 122.3 -5.4 27.1 2.4 19 19 A Y E -AB 6 28A 0 -13,-3.0 -13,-2.1 -2,-0.5 2,-0.4 -0.870 5.8-163.5-104.6 134.6 -7.4 28.7 5.2 20 20 A T E -AB 5 27A 13 7,-2.5 7,-2.0 -2,-0.4 2,-0.6 -0.988 11.5-153.7-125.2 125.8 -7.0 27.5 8.8 21 21 A A E +AB 4 26A 6 -17,-3.0 -17,-1.8 -2,-0.4 2,-0.3 -0.861 29.3 163.0 -92.0 119.2 -9.3 28.2 11.7 22 22 A N E > - B 0 25A 67 3,-2.6 3,-1.7 -2,-0.6 23,-0.1 -0.955 64.7 -18.6-145.3 118.3 -7.2 28.0 14.9 23 23 A N T 3 S- 0 0 136 -2,-0.3 23,-0.1 1,-0.3 3,-0.1 0.861 129.0 -47.0 51.0 44.2 -8.2 29.4 18.3 24 24 A G T 3 S+ 0 0 23 1,-0.2 21,-2.2 21,-0.1 2,-0.4 0.485 119.5 100.1 82.2 3.0 -10.8 31.7 16.8 25 25 A K E < -BC 22 44A 122 -3,-1.7 -3,-2.6 19,-0.3 2,-0.5 -0.977 57.0-149.7-124.9 139.5 -8.6 33.1 14.0 26 26 A I E +BC 21 43A 0 17,-3.1 17,-1.6 -2,-0.4 2,-0.2 -0.921 21.3 175.5-109.8 127.8 -8.5 32.2 10.3 27 27 A T E -BC 20 42A 56 -7,-2.0 -7,-2.5 -2,-0.5 2,-0.4 -0.738 18.6-131.7-122.8 171.1 -5.2 32.7 8.5 28 28 A E E -B 19 0A 7 13,-0.5 11,-2.7 11,-0.3 2,-0.4 -0.984 10.7-165.6-135.4 134.5 -4.1 31.8 5.0 29 29 A R E -BC 18 38A 35 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.4 -0.938 19.5-157.1-119.4 146.5 -1.2 30.0 3.3 30 30 A C E -BC 17 37A 1 7,-2.8 7,-2.2 -2,-0.4 2,-0.4 -0.942 16.6-168.5-135.1 141.5 -0.5 30.4 -0.4 31 31 A W E +BC 16 36A 55 -15,-2.4 -15,-2.4 -2,-0.4 5,-0.2 -0.999 14.6 164.1-129.3 127.6 1.2 28.5 -3.2 32 32 A D S S- 0 0 68 3,-0.6 -17,-0.1 -2,-0.4 4,-0.1 0.085 75.9 -72.2-127.1 20.8 1.8 30.1 -6.6 33 33 A G S S+ 0 0 37 2,-0.2 3,-0.1 -19,-0.1 -18,-0.1 0.206 120.6 56.7 116.5 -11.3 4.4 27.6 -7.8 34 34 A K S S- 0 0 208 1,-0.5 2,-0.2 0, 0.0 -3,-0.1 0.369 110.0 -29.3-138.4 11.5 7.6 28.2 -5.9 35 35 A G - 0 0 29 2,-0.0 -3,-0.6 -5,-0.0 -1,-0.5 -0.720 66.3 -86.0 148.3 155.9 7.0 27.9 -2.2 36 36 A W E +C 31 0A 32 -2,-0.2 2,-0.3 228,-0.2 -5,-0.2 -0.697 45.6 174.7 -86.5 143.2 4.4 28.4 0.4 37 37 A Y E -C 30 0A 94 -7,-2.2 -7,-2.8 -2,-0.3 2,-0.5 -0.933 36.0 -95.4-142.4 164.8 3.9 31.9 1.9 38 38 A T E -C 29 0A 86 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.1 -0.700 41.6-143.2 -88.4 129.3 1.5 33.6 4.3 39 39 A G E - 0 0 16 -11,-2.7 -11,-0.3 -2,-0.5 -1,-0.1 -0.298 21.2-107.7 -86.4 174.0 -1.3 35.4 2.7 40 40 A A E S+ 0 0 81 -2,-0.1 2,-0.3 -13,-0.1 -1,-0.1 0.679 82.7 107.0 -71.1 -23.5 -3.1 38.7 3.6 41 41 A F E + 0 0 3 39,-0.0 -13,-0.5 33,-0.0 2,-0.3 -0.480 34.1 150.4 -70.2 126.4 -6.3 37.1 4.8 42 42 A N E +C 27 0A 96 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.822 13.7 139.0-155.1 102.4 -6.6 37.3 8.6 43 43 A E E -C 26 0A 57 -17,-1.6 -17,-3.1 -2,-0.3 2,-0.1 -0.975 52.7 -86.3-144.8 156.5 -10.1 37.4 10.1 44 44 A P E +C 25 0A 84 0, 0.0 -19,-0.3 0, 0.0 2,-0.2 -0.358 60.1 128.1 -65.5 146.2 -11.9 36.0 13.1 45 45 A G - 0 0 0 -21,-2.2 -23,-0.3 -23,-0.1 22,-0.2 -0.740 48.1-154.0 171.2 147.2 -13.5 32.6 12.9 46 46 A D S S+ 0 0 73 20,-2.8 2,-0.3 1,-0.2 21,-0.2 0.509 93.2 31.4 -98.1 -13.3 -13.9 29.2 14.4 47 47 A N E -D 66 0B 8 19,-1.3 19,-2.7 -23,-0.1 2,-0.4 -0.995 68.4-169.0-146.2 144.6 -14.9 27.6 11.1 48 48 A V E +D 65 0B 2 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.996 10.0 173.0-138.0 142.3 -14.0 28.3 7.5 49 49 A S E -D 64 0B 7 15,-1.7 15,-2.7 -2,-0.4 2,-0.3 -0.930 13.8-167.1-133.7 164.0 -15.2 27.3 4.0 50 50 A V E +D 63 0B 15 -2,-0.3 48,-0.3 13,-0.2 2,-0.3 -0.998 13.7 178.3-148.8 152.3 -14.1 28.7 0.7 51 51 A T E -D 62 0B 14 11,-2.1 11,-2.9 -2,-0.3 2,-0.3 -0.970 11.1-175.1-144.1 159.1 -15.0 28.7 -3.0 52 52 A S E -D 61 0B 19 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.991 6.3-172.8-151.7 160.5 -13.4 30.5 -6.0 53 53 A W E -D 60 0B 24 7,-2.3 7,-2.2 -2,-0.3 2,-0.4 -0.985 20.4-123.2-150.0 155.3 -13.9 31.1 -9.7 54 54 A L E -D 59 0B 61 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.800 8.4-166.3 -99.0 144.4 -12.0 32.6 -12.6 55 55 A V E > S-D 58 0B 69 3,-2.3 3,-2.1 -2,-0.4 2,-0.3 -0.954 82.2 -48.1-118.9 103.1 -13.1 35.4 -14.9 56 56 A G T 3 S- 0 0 74 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.569 122.6 -27.8 63.6-126.4 -10.5 35.0 -17.5 57 57 A S T 3 S+ 0 0 117 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.404 115.5 108.1 -97.7 1.2 -7.3 34.8 -15.5 58 58 A A E < -D 55 0B 45 -3,-2.1 -3,-2.3 1,-0.0 2,-0.3 -0.704 62.3-142.2 -86.2 121.6 -8.7 36.9 -12.6 59 59 A I E -D 54 0B 19 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.616 12.9-167.3 -82.4 141.3 -9.4 34.9 -9.5 60 60 A H E -D 53 0B 32 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.4 -0.999 10.2-171.2-126.6 124.5 -12.4 35.6 -7.3 61 61 A I E -DE 52 76B 3 15,-2.4 15,-2.5 -2,-0.4 2,-0.4 -0.948 11.5-165.5-121.3 139.4 -12.4 34.0 -3.8 62 62 A R E -DE 51 75B 30 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.5 -0.992 7.3-169.0-125.0 121.5 -15.2 33.9 -1.2 63 63 A V E -DE 50 74B 0 11,-2.4 11,-2.7 -2,-0.4 2,-0.7 -0.943 9.0-153.9-109.3 129.1 -14.3 32.8 2.3 64 64 A Y E -DE 49 73B 0 -15,-2.7 -15,-1.7 -2,-0.5 2,-0.5 -0.922 14.1-171.8-108.5 109.8 -17.1 32.0 4.8 65 65 A A E -DE 48 72B 2 7,-3.0 7,-3.1 -2,-0.7 2,-0.4 -0.900 3.8-166.9-106.4 124.4 -15.9 32.6 8.3 66 66 A S E +DE 47 71B 0 -19,-2.7 -20,-2.8 -2,-0.5 -19,-1.3 -0.944 18.0 173.2-121.1 140.5 -18.2 31.6 11.2 67 67 A T E > S- E 0 70B 68 3,-2.2 3,-2.4 -2,-0.4 26,-0.2 -0.990 75.0 -33.3-133.8 127.3 -18.2 32.3 14.9 68 68 A G T 3 S- 0 0 29 24,-0.4 26,-2.7 -2,-0.4 -22,-0.0 -0.415 126.6 -30.3 56.2-128.2 -21.2 31.0 16.8 69 69 A T T 3 S+ 0 0 69 24,-0.2 2,-0.6 -2,-0.1 21,-0.4 0.308 116.8 102.7-101.4 10.0 -24.1 31.2 14.5 70 70 A T E < -E 67 0B 92 -3,-2.4 -3,-2.2 20,-0.1 2,-0.5 -0.842 49.4-170.4-103.2 118.6 -22.7 34.3 12.5 71 71 A T E -E 66 0B 9 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.932 2.8-166.3-108.5 126.2 -21.1 33.7 9.1 72 72 A T E -E 65 0B 34 -7,-3.1 -7,-3.0 -2,-0.5 2,-0.4 -0.935 11.4-142.9-110.0 131.5 -19.3 36.5 7.5 73 73 A E E -E 64 0B 7 -2,-0.5 11,-3.0 13,-0.4 2,-0.4 -0.782 12.0-162.4 -92.8 135.3 -18.3 36.4 3.8 74 74 A W E -EF 63 83B 41 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.4 -0.956 8.7-151.2-118.4 138.6 -15.0 37.8 2.7 75 75 A C E -EF 62 82B 9 7,-3.1 7,-2.0 -2,-0.4 2,-0.5 -0.927 16.0-173.4-120.1 130.4 -14.3 38.6 -0.9 76 76 A W E +EF 61 81B 72 -15,-2.5 -15,-2.4 -2,-0.4 5,-0.2 -0.989 14.7 162.4-114.2 123.1 -11.1 38.8 -3.0 77 77 A D S S- 0 0 56 3,-0.7 -17,-0.1 -2,-0.5 -1,-0.1 0.017 75.6 -74.2-128.6 24.1 -11.7 40.1 -6.5 78 78 A G S S+ 0 0 49 2,-0.1 3,-0.1 -17,-0.1 -18,-0.1 0.277 123.2 66.8 108.6 -8.4 -8.1 40.9 -7.4 79 79 A N S S- 0 0 133 1,-0.5 2,-0.0 0, 0.0 -3,-0.0 -0.284 107.3 -56.2-145.9 55.8 -7.7 44.0 -5.2 80 80 A G - 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