==== 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 12-APR-05 2BOI . COMPND 2 MOLECULE: CV-IIL LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR M.POKORNA,G.CIOCI,S.PERRET,E.REBUFFET,J.ADAM, . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 51.8 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 2 0 0 5 1 0 2 0 0 0 0 0 2 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 2 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 A 0 0 132 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.6 41.7 4.1 5.2 2 2 A Q - 0 0 148 2,-0.0 2,-0.3 74,-0.0 3,-0.1 -0.386 360.0-164.2 -57.0 143.3 40.3 7.0 3.4 3 3 A Q + 0 0 69 1,-0.1 3,-0.1 61,-0.1 61,-0.1 -0.921 61.5 38.0-132.2 155.7 37.1 8.2 5.1 4 4 A G S S+ 0 0 0 -2,-0.3 60,-2.7 1,-0.2 2,-0.5 0.586 84.1 118.8 77.7 12.6 34.3 10.5 3.8 5 5 A V E +A 63 0A 47 58,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.946 37.8 173.8-113.5 127.2 34.5 9.2 0.3 6 6 A F E -A 62 0A 11 56,-2.8 56,-2.5 -2,-0.5 2,-0.7 -0.990 29.8-138.7-135.9 142.3 31.5 7.5 -1.2 7 7 A T E -A 61 0A 115 -2,-0.4 54,-0.2 54,-0.2 53,-0.1 -0.893 30.3-175.2 -98.4 113.5 30.4 6.1 -4.6 8 8 A L - 0 0 6 52,-2.7 3,-0.1 -2,-0.7 6,-0.0 -0.656 39.2 -80.5 -95.7 163.7 26.8 7.1 -5.2 9 9 A P > - 0 0 60 0, 0.0 3,-0.9 0, 0.0 48,-0.1 -0.337 65.5 -91.9 -52.7 147.7 24.7 6.1 -8.2 10 10 A A T 3 S+ 0 0 42 1,-0.2 49,-0.2 49,-0.2 48,-0.1 -0.354 99.4 1.3 -70.4 142.8 25.5 8.3 -11.2 11 11 A R T 3 S+ 0 0 186 47,-2.9 2,-0.3 1,-0.2 -1,-0.2 0.756 93.0 144.9 60.5 32.8 23.7 11.5 -11.8 12 12 A I < - 0 0 38 -3,-0.9 45,-2.3 46,-0.2 2,-0.4 -0.797 50.9-123.9-104.1 141.6 21.4 11.1 -8.7 13 13 A N E +B 56 0A 87 -2,-0.3 99,-0.5 43,-0.2 2,-0.3 -0.672 38.3 176.2 -77.8 135.4 20.1 13.9 -6.5 14 14 A F E -B 55 0A 0 41,-2.7 41,-2.2 -2,-0.4 2,-0.3 -0.963 24.9-120.9-138.7 155.1 21.1 13.4 -2.9 15 15 A G E -BC 54 109A 0 94,-2.4 94,-2.0 -2,-0.3 2,-0.4 -0.771 14.6-160.9 -98.6 146.9 20.7 15.3 0.3 16 16 A V E -BC 53 108A 0 37,-2.3 37,-2.3 -2,-0.3 2,-0.4 -0.995 11.2-178.1-126.0 122.4 23.4 16.5 2.6 17 17 A T E -BC 52 107A 2 90,-2.4 90,-2.8 -2,-0.4 2,-0.4 -0.954 7.7-159.4-122.0 137.2 22.5 17.4 6.2 18 18 A V E - C 0 106A 0 33,-1.5 32,-3.0 -2,-0.4 33,-0.4 -0.980 8.5-175.8-124.4 132.3 25.0 18.8 8.8 19 19 A L E -BC 49 105A 4 86,-2.5 86,-2.8 -2,-0.4 2,-0.4 -0.956 14.1-151.7-118.2 144.2 24.8 18.8 12.6 20 20 A V E +BC 48 104A 0 28,-2.0 28,-1.8 -2,-0.4 27,-0.5 -0.906 23.1 170.6-122.1 143.7 27.4 20.5 14.8 21 21 A N E + 0 0 0 82,-2.1 24,-0.3 -2,-0.4 2,-0.3 -0.543 49.6 91.4-145.0 70.8 28.6 19.8 18.3 22 22 A S E -B 44 0A 8 22,-2.3 22,-2.4 81,-0.1 24,-0.1 -0.988 67.9-133.3-160.0 153.1 31.7 22.0 19.0 23 23 A A E S+ 0 0 92 -2,-0.3 2,-0.4 20,-0.2 22,-0.1 0.559 91.2 82.8 -78.9 -15.2 32.9 25.3 20.3 24 24 A A E S- 0 0 15 20,-0.1 20,-0.2 1,-0.0 2,-0.2 -0.773 94.4-106.6 -91.8 137.5 35.1 25.6 17.2 25 25 A T E - 0 0 65 -2,-0.4 44,-0.5 18,-0.1 2,-0.3 -0.432 37.5-143.6 -63.4 132.7 33.5 26.9 14.0 26 26 A Q E -B 42 0A 0 16,-3.0 16,-1.6 -2,-0.2 2,-0.4 -0.783 13.4-165.1-100.5 143.8 33.0 24.0 11.5 27 27 A H E -BD 41 67A 84 40,-2.4 40,-2.7 -2,-0.3 2,-0.4 -0.973 8.0-170.8-130.9 113.3 33.4 24.2 7.7 28 28 A V E -BD 40 66A 2 12,-2.6 12,-2.3 -2,-0.4 2,-0.4 -0.902 1.9-173.7-106.7 132.3 32.0 21.4 5.6 29 29 A E E -BD 39 65A 43 36,-2.8 36,-2.6 -2,-0.4 2,-0.5 -0.992 9.8-156.3-124.8 134.3 32.6 21.0 1.9 30 30 A I E -BD 38 64A 0 8,-2.7 7,-2.9 -2,-0.4 8,-1.3 -0.957 11.4-162.7-108.4 124.1 31.1 18.5 -0.4 31 31 A F E -BD 36 63A 27 32,-3.0 32,-2.3 -2,-0.5 2,-0.4 -0.862 7.0-166.9-104.2 140.6 33.0 17.6 -3.6 32 32 A V E > S-BD 35 62A 8 3,-2.3 3,-1.9 -2,-0.4 30,-0.2 -0.997 82.8 -12.7-124.7 121.4 31.5 15.9 -6.6 33 33 A D T 3 S- 0 0 59 28,-2.8 -1,-0.1 -2,-0.4 29,-0.1 0.888 130.5 -56.8 51.9 40.4 34.0 14.6 -9.1 34 34 A N T 3 S+ 0 0 112 27,-0.4 -1,-0.3 1,-0.2 28,-0.1 0.550 113.4 119.8 69.2 15.4 36.6 16.7 -7.3 35 35 A E E < S-B 32 0A 109 -3,-1.9 -3,-2.3 2,-0.0 2,-0.5 -0.878 72.2-112.1-113.2 140.2 34.6 19.9 -7.7 36 36 A P E +B 31 0A 71 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.550 48.8 156.6 -76.2 114.3 33.4 22.0 -4.8 37 37 A R E + 0 0 145 -7,-2.9 2,-0.3 -2,-0.5 -6,-0.2 0.548 54.6 24.0-122.7 -13.4 29.6 21.7 -4.8 38 38 A A E -B 30 0A 8 -8,-1.3 -8,-2.7 17,-0.0 2,-0.4 -0.961 56.8-170.7-155.4 143.0 28.2 22.4 -1.3 39 39 A A E +B 29 0A 57 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.984 4.7 177.1-134.2 143.1 29.4 24.3 1.7 40 40 A F E -B 28 0A 11 -12,-2.3 -12,-2.6 -2,-0.4 2,-0.3 -0.991 2.5-178.8-137.2 150.0 28.1 24.6 5.2 41 41 A S E +B 27 0A 66 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.995 18.8 119.6-148.1 148.2 29.4 26.5 8.3 42 42 A G E -B 26 0A 15 -16,-1.6 -16,-3.0 -2,-0.3 2,-0.3 -0.981 32.8-137.0 176.1-179.4 28.4 26.8 11.9 43 43 A V E + 0 0 61 -2,-0.3 -20,-0.2 -18,-0.2 2,-0.2 -0.969 35.7 108.1-153.7 157.2 29.1 26.4 15.5 44 44 A G E -B 22 0A 24 -22,-2.4 -22,-2.3 -2,-0.3 4,-0.3 -0.453 51.0-124.6 138.7 152.7 27.4 25.2 18.7 45 45 A T E S+ 0 0 77 -24,-0.3 182,-0.9 1,-0.2 -22,-0.1 0.361 90.8 78.0-104.2 2.6 27.3 22.4 21.2 46 46 A G E S- 0 0 47 180,-0.1 -1,-0.2 -24,-0.1 3,-0.2 -0.212 116.8 -85.9-110.9 42.9 23.6 21.4 21.1 47 47 A D E - 0 0 2 -27,-0.5 2,-0.3 -3,-0.2 -26,-0.2 0.956 57.8-158.9 57.8 51.1 23.4 19.5 17.9 48 48 A N E -B 20 0A 71 -28,-1.8 -28,-2.0 -4,-0.3 2,-0.6 -0.488 7.0-139.0 -71.3 124.2 22.9 22.6 15.8 49 49 A N E -B 19 0A 33 -2,-0.3 -30,-0.2 -30,-0.2 3,-0.1 -0.755 15.7-169.9 -92.4 114.1 21.3 21.7 12.5 50 50 A L E - 0 0 38 -32,-3.0 -9,-0.1 -2,-0.6 -31,-0.1 0.331 46.2-112.1 -86.3 5.6 22.8 23.7 9.6 51 51 A G E - 0 0 22 -33,-0.4 -33,-1.5 -11,-0.1 2,-0.4 -0.318 30.8 -75.1 94.8-175.9 20.1 22.5 7.2 52 52 A T E -B 17 0A 34 -35,-0.2 2,-0.4 -2,-0.1 -35,-0.2 -0.972 32.8-166.5-125.9 137.7 20.0 20.3 4.1 53 53 A K E -B 16 0A 83 -37,-2.3 -37,-2.3 -2,-0.4 2,-0.5 -0.971 12.3-144.4-122.4 141.8 21.2 20.9 0.6 54 54 A V E +B 15 0A 67 -2,-0.4 2,-0.3 -39,-0.2 -39,-0.2 -0.922 29.2 161.1-107.9 127.0 20.3 18.8 -2.4 55 55 A I E -B 14 0A 28 -41,-2.2 -41,-2.7 -2,-0.5 2,-0.3 -0.864 37.9-102.2-139.3 168.3 23.0 18.4 -5.1 56 56 A N E -B 13 0A 65 -2,-0.3 -43,-0.2 -43,-0.2 4,-0.1 -0.753 18.1-138.4 -99.8 141.7 23.7 16.0 -8.0 57 57 A S > - 0 0 0 -45,-2.3 3,-2.6 -2,-0.3 4,-0.2 0.516 26.8-164.8 -80.3 -4.2 26.2 13.1 -7.8 58 58 A G T 3 S- 0 0 21 1,-0.3 -47,-2.9 2,-0.2 -1,-0.2 -0.332 77.0 -6.9 58.0-130.3 27.7 13.5 -11.2 59 59 A S T 3 S- 0 0 80 -49,-0.2 -1,-0.3 2,-0.1 -49,-0.2 0.661 111.0 -98.5 -70.6 -13.8 29.7 10.4 -12.1 60 60 A G S < S+ 0 0 1 -3,-2.6 -52,-2.7 1,-0.2 2,-1.0 0.250 82.9 130.4 118.0 -8.5 29.1 9.3 -8.5 61 61 A N E +A 7 0A 57 -4,-0.2 -28,-2.8 -54,-0.2 -27,-0.4 -0.674 31.2 172.8 -87.3 100.5 32.4 10.3 -6.8 62 62 A V E -AD 6 32A 0 -56,-2.5 -56,-2.8 -2,-1.0 2,-0.4 -0.887 8.7-176.0-113.7 135.3 31.4 12.2 -3.7 63 63 A R E -AD 5 31A 69 -32,-2.3 -32,-3.0 -2,-0.4 2,-0.5 -0.998 13.0-151.7-134.2 136.7 33.8 13.4 -1.0 64 64 A V E - D 0 30A 2 -60,-2.7 2,-0.4 -2,-0.4 -34,-0.2 -0.908 14.0-176.7-105.1 128.6 33.2 15.1 2.3 65 65 A Q E - D 0 29A 43 -36,-2.6 -36,-2.8 -2,-0.5 2,-0.4 -0.985 3.2-169.0-125.5 138.0 35.9 17.4 3.8 66 66 A I E - D 0 28A 0 -2,-0.4 7,-3.0 7,-0.3 2,-0.3 -0.994 4.7-176.9-130.5 130.1 35.6 19.1 7.2 67 67 A T E +ED 72 27A 28 -40,-2.7 -40,-2.4 -2,-0.4 2,-0.3 -0.929 9.5 163.9-126.6 152.9 37.8 21.9 8.6 68 68 A A E > S+E 71 0A 1 3,-2.2 3,-2.1 -2,-0.3 -42,-0.1 -0.946 71.3 16.4-158.9 146.9 38.0 23.7 11.9 69 69 A N T 3 S- 0 0 96 -44,-0.5 3,-0.1 -2,-0.3 -43,-0.1 0.821 131.9 -62.6 54.5 31.4 40.8 25.9 13.4 70 70 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.493 117.5 93.5 77.8 5.4 42.3 26.1 10.0 71 71 A R E < S-E 68 0A 138 -3,-2.1 -3,-2.2 24,-0.1 2,-0.3 -0.900 82.0 -95.1-134.1 155.5 42.9 22.3 9.7 72 72 A Q E -E 67 0A 105 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.507 41.3-130.0 -68.3 128.2 41.3 19.3 8.3 73 73 A S - 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0 0 12 99,-0.1 -1,-0.1 -7,-0.0 -6,-0.1 0.742 47.3-154.7 -86.0 -19.0 33.8 12.4 20.6 101 101 A Y + 0 0 37 1,-0.1 -8,-0.7 -9,-0.1 -7,-0.2 0.689 67.2 100.1 56.6 26.6 33.6 12.5 16.7 102 102 A N B +h 93 0A 0 -10,-0.2 -81,-0.2 -81,-0.2 3,-0.2 0.240 38.2 109.6-118.1 9.9 30.5 14.6 16.8 103 103 A D S S+ 0 0 4 -10,-1.8 -82,-2.1 1,-0.3 2,-0.3 0.904 100.6 2.5 -64.8 -45.4 32.0 18.0 16.1 104 104 A S E S-C 20 0A 0 -11,-0.4 -11,-0.6 -84,-0.2 2,-0.5 -0.978 73.1-166.6-125.8 139.5 30.4 17.9 12.6 105 105 A I E -CG 19 92A 2 -86,-2.8 -86,-2.5 -2,-0.3 2,-0.5 -0.993 7.8-166.2-119.2 124.5 28.2 15.1 11.6 106 106 A V E -CG 18 91A 0 -15,-2.5 -15,-2.5 -2,-0.5 2,-0.5 -0.960 2.3-168.7-116.4 128.5 27.4 14.9 7.9 107 107 A I E -CG 17 90A 3 -90,-2.8 -90,-2.4 -2,-0.5 2,-0.4 -0.969 2.8-170.1-120.3 123.6 24.6 12.7 6.6 108 108 A L E -CG 16 89A 0 -19,-3.1 -19,-2.5 -2,-0.5 2,-0.4 -0.904 13.4-178.1-104.7 138.9 24.1 12.0 2.9 109 109 A N E -CG 15 88A 1 -94,-2.0 -94,-2.4 -2,-0.4 -21,-0.2 -0.999 6.0-143.6-140.8 149.0 20.9 10.3 1.8 110 110 A W E + G 0 87A 6 -23,-1.7 -23,-2.6 -2,-0.4 2,-0.1 -0.963 59.2 35.5-161.6 164.5 19.4 9.0 -1.4 111 111 A P - 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