==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 20-MAR-09 3A0K . COMPND 2 MOLECULE: CYMBOSEMA ROSEUM MANNOSE-SPECIFIC LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CYMBOSEMA ROSEUM; . AUTHOR B.A.M.ROCHA,P.DELATORRE,E.S.MARINHO,R.G.BENEVIDES,T.R.MOURA, . 940 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 67.3 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 . 406 43.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.0 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-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 91 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 . 4 12 0 4 9 11 9 5 4 0 3 1 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 4 0 0 0 0 0 0 0 2 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 0 133 0, 0.0 228,-0.0 0, 0.0 214,-0.0 0.000 360.0 360.0 360.0 160.1 -5.7 29.9 10.1 2 2 A D - 0 0 40 214,-0.2 2,-0.5 226,-0.1 209,-0.0 -0.242 360.0-126.7 -64.0 162.1 -3.5 26.8 10.3 3 3 A T - 0 0 41 2,-0.0 209,-1.1 226,-0.0 2,-0.4 -0.993 36.1-171.6-111.1 123.1 -0.1 26.8 11.9 4 4 A I E +A 211 0A 1 -2,-0.5 26,-3.6 207,-0.2 2,-0.4 -0.951 26.5 175.9-128.2 135.5 2.4 25.5 9.5 5 5 A V E +AB 210 29A 2 205,-2.6 205,-3.0 -2,-0.4 2,-0.4 -0.998 28.1 166.0-124.0 134.5 6.0 24.5 9.5 6 6 A A E -AB 209 28A 1 22,-2.7 22,-3.6 -2,-0.4 2,-0.6 -0.995 41.3-138.4-146.6 156.5 7.2 23.0 6.3 7 7 A V E -AB 208 27A 2 201,-3.1 201,-1.9 -2,-0.4 2,-0.4 -0.968 36.1-157.0-109.7 114.7 10.2 22.1 4.4 8 8 A E E -AB 207 26A 0 18,-2.8 18,-2.8 -2,-0.6 2,-0.8 -0.790 22.8-158.9 -98.3 141.4 9.4 23.1 0.8 9 9 A L E -AB 206 25A 0 197,-3.9 197,-2.3 -2,-0.4 2,-0.8 -0.912 27.3-169.4-109.0 97.2 10.9 21.7 -2.2 10 10 A D E +AB 205 24A 0 14,-2.8 14,-2.6 -2,-0.8 195,-0.3 -0.797 16.5 179.7-102.9 106.1 10.1 24.8 -4.3 11 11 A S + 0 0 2 193,-1.1 194,-0.2 -2,-0.8 -1,-0.2 0.733 65.2 59.1 -78.3 -21.7 10.7 24.1 -7.9 12 12 A Y S S- 0 0 56 192,-1.3 2,-1.0 12,-0.1 -1,-0.1 -0.910 76.9-133.7-123.6 125.0 9.5 27.5 -9.1 13 13 A P - 0 0 30 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.610 18.5-177.9 -81.2 109.7 11.0 30.8 -8.1 14 14 A N > > + 0 0 21 -2,-1.0 3,-2.2 1,-0.2 5,-2.1 -0.754 7.2 173.6 -96.7 85.0 8.2 33.3 -7.3 15 15 A T G > 5S+ 0 0 90 -2,-1.2 3,-1.2 1,-0.3 -1,-0.2 0.688 70.2 78.8 -74.0 -19.4 10.6 36.0 -6.7 16 16 A D G 3 5S+ 0 0 111 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.769 100.4 32.2 -32.6 -52.4 7.5 37.9 -6.4 17 17 A I G < 5S- 0 0 6 -3,-2.2 -1,-0.2 15,-0.1 -2,-0.2 -0.172 133.4 -80.9-118.1 36.0 6.8 36.7 -3.0 18 18 A G T < 5S+ 0 0 49 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.513 77.7 147.1 83.5 8.1 10.4 36.4 -1.9 19 19 A D < - 0 0 9 -5,-2.1 -1,-0.3 1,-0.1 2,-0.1 -0.469 56.1-108.9 -61.4 147.7 11.6 33.2 -3.4 20 20 A P - 0 0 25 0, 0.0 2,-0.5 0, 0.0 -6,-0.1 -0.337 39.8 -99.9 -67.1 163.1 15.2 33.2 -4.4 21 21 A S S S+ 0 0 91 -6,-0.1 -2,-0.0 -8,-0.1 -6,-0.0 0.087 99.7 55.3 -88.3 38.2 15.4 33.2 -8.2 22 22 A Y S S- 0 0 53 -2,-0.5 -8,-0.1 -10,-0.1 -10,-0.1 -0.963 102.6 -76.6-150.9 163.0 16.2 29.5 -8.5 23 23 A P + 0 0 32 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.236 66.6 169.6 -55.0 147.6 14.5 26.3 -7.4 24 24 A H E -BC 10 39A 0 -14,-2.6 -14,-2.8 15,-0.3 2,-0.4 -0.995 38.2-120.2-160.2 156.7 15.3 25.9 -3.8 25 25 A I E -BC 9 38A 0 13,-2.5 13,-2.0 -2,-0.3 2,-0.4 -0.796 38.5-174.9-101.7 150.5 14.5 24.1 -0.7 26 26 A G E -BC 8 37A 0 -18,-2.8 -18,-2.8 -2,-0.4 2,-0.6 -0.994 30.8-132.9-145.4 153.6 13.2 26.1 2.1 27 27 A I E -BC 7 36A 0 9,-2.3 8,-3.4 -2,-0.4 9,-1.1 -0.944 30.0-165.4-105.6 119.4 12.1 26.0 5.7 28 28 A D E -B 6 0A 0 -22,-3.6 -22,-2.7 -2,-0.6 2,-0.5 -0.907 11.1-175.7-109.7 129.8 8.8 27.7 6.1 29 29 A I E S-B 5 0A 11 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.901 77.2 -34.3-129.1 100.0 7.6 28.6 9.5 30 30 A K S S+ 0 0 125 -26,-3.6 2,-0.3 -2,-0.5 -25,-0.1 0.600 128.6 69.2 64.7 19.5 4.1 30.1 9.4 31 31 A S S S- 0 0 8 -27,-0.3 -2,-0.3 1,-0.1 4,-0.2 -0.954 76.9-133.2-160.7 146.8 4.8 31.7 6.1 32 32 A I S S+ 0 0 0 201,-0.6 2,-1.2 199,-0.4 200,-0.1 0.731 92.2 90.2 -67.0 -16.6 5.5 30.7 2.5 33 33 A R S S- 0 0 103 200,-0.5 -4,-0.3 -4,-0.1 -15,-0.1 -0.670 90.2-127.5 -88.7 101.7 8.4 33.1 2.6 34 34 A S - 0 0 26 -2,-1.2 -6,-0.3 1,-0.2 3,-0.1 -0.080 9.6-145.2 -56.1 144.8 11.0 30.6 3.8 35 35 A K S S+ 0 0 99 -8,-3.4 2,-0.3 1,-0.3 -7,-0.2 0.722 90.8 11.7 -80.1 -19.7 13.0 31.4 6.8 36 36 A S E S+C 27 0A 26 -9,-1.1 -9,-2.3 41,-0.1 2,-0.3 -0.985 72.0 178.8-155.3 144.1 15.9 29.7 5.2 37 37 A T E -C 26 0A 54 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.931 10.6-162.4-143.2 162.8 16.4 28.4 1.7 38 38 A A E -C 25 0A 21 -13,-2.0 -13,-2.5 -2,-0.3 2,-0.1 -0.980 37.9 -96.5-147.1 140.5 19.1 26.8 -0.2 39 39 A R E -C 24 0A 141 -2,-0.4 2,-0.6 -15,-0.2 -15,-0.3 -0.369 38.3-150.6 -53.8 127.8 19.5 26.5 -3.9 40 40 A W - 0 0 4 -17,-2.5 2,-1.5 -30,-0.2 -1,-0.1 -0.909 7.4-150.9-110.6 118.8 18.1 23.3 -5.1 41 41 A N - 0 0 100 -2,-0.6 -17,-0.1 30,-0.2 32,-0.0 -0.717 29.7-152.0 -87.5 92.7 19.7 21.8 -8.2 42 42 A M - 0 0 41 -2,-1.5 2,-0.3 1,-0.1 25,-0.0 -0.308 16.0-157.4 -68.5 153.8 16.6 20.0 -9.3 43 43 A Q > - 0 0 69 3,-0.2 3,-2.3 152,-0.0 152,-0.2 -0.673 15.8-155.4-128.1 78.9 16.8 16.9 -11.3 44 44 A T T 3 S+ 0 0 59 -2,-0.3 152,-0.2 1,-0.3 3,-0.1 -0.185 78.3 23.7 -53.3 138.7 13.5 16.7 -13.0 45 45 A G T 3 S+ 0 0 42 150,-4.0 2,-0.4 1,-0.2 -1,-0.3 0.434 103.7 101.1 86.8 -3.1 12.6 13.1 -13.9 46 46 A K S < S- 0 0 126 -3,-2.3 149,-0.6 149,-0.4 2,-0.3 -0.918 80.7-105.7-114.7 149.1 14.8 11.6 -11.3 47 47 A V E -H 194 0B 64 -2,-0.4 21,-0.6 147,-0.2 2,-0.3 -0.479 39.6-163.2 -70.6 127.2 13.8 10.2 -7.9 48 48 A G E -HI 193 67B 0 145,-3.6 145,-2.5 -2,-0.3 2,-0.4 -0.777 8.7-148.0-107.8 153.5 14.7 12.6 -5.1 49 49 A T E -HI 192 66B 10 17,-3.0 17,-2.7 -2,-0.3 2,-0.4 -0.987 10.1-170.0-117.1 138.2 15.0 11.9 -1.5 50 50 A A E -HI 191 65B 0 141,-2.8 141,-2.3 -2,-0.4 2,-0.4 -0.973 0.6-171.6-120.5 142.8 14.3 14.5 1.2 51 51 A H E -HI 190 64B 17 13,-2.8 13,-2.3 -2,-0.4 2,-0.4 -0.994 3.5-171.1-133.9 137.3 15.1 13.9 4.8 52 52 A I E +HI 189 63B 0 137,-3.3 137,-2.9 -2,-0.4 2,-0.4 -0.980 7.8 179.7-132.6 137.6 13.9 16.4 7.4 53 53 A S E +HI 188 62B 10 9,-2.4 9,-2.6 -2,-0.4 2,-0.3 -0.990 7.4 166.6-140.8 149.8 15.0 16.3 11.1 54 54 A Y E -H 187 0B 8 133,-2.5 133,-2.7 -2,-0.4 2,-0.3 -0.955 9.2-175.2-154.2 146.8 14.4 18.2 14.1 55 55 A N E >> -H 186 0B 11 5,-0.4 4,-3.4 -2,-0.3 5,-0.8 -0.996 28.0-133.3-143.7 152.4 14.9 17.9 17.7 56 56 A S T 45S+ 0 0 2 129,-2.8 130,-0.1 -2,-0.3 26,-0.1 0.598 104.8 52.5 -79.1 -13.5 13.8 20.2 20.4 57 57 A V T 45S+ 0 0 10 128,-0.3 -1,-0.2 1,-0.1 712,-0.1 0.924 117.9 36.0 -80.1 -49.3 17.1 20.3 22.2 58 58 A A T 45S- 0 0 4 708,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.824 92.3-156.7 -68.1 -37.1 19.1 21.3 19.1 59 59 A K T <5 + 0 0 74 -4,-3.4 20,-1.9 1,-0.2 2,-0.5 0.917 47.2 128.4 61.1 43.7 16.2 23.4 17.9 60 60 A R E < - J 0 78B 27 -5,-0.8 2,-0.5 18,-0.3 -5,-0.4 -0.923 46.1-159.2-135.9 112.2 17.3 23.1 14.4 61 61 A L E + J 0 77B 1 16,-2.9 16,-2.3 -2,-0.5 2,-0.3 -0.785 24.9 174.7 -88.4 129.4 15.0 22.0 11.7 62 62 A T E -IJ 53 76B 1 -9,-2.6 -9,-2.4 -2,-0.5 2,-0.4 -0.918 16.8-171.9-137.6 157.5 16.9 20.8 8.7 63 63 A A E -IJ 52 75B 0 12,-2.9 12,-2.6 -2,-0.3 2,-0.4 -0.994 3.5-166.7-144.9 151.6 16.3 19.2 5.5 64 64 A V E -IJ 51 74B 0 -13,-2.3 -13,-2.8 -2,-0.4 2,-0.4 -0.998 4.5-163.2-138.1 142.2 18.4 17.7 2.9 65 65 A V E +IJ 50 73B 2 8,-2.7 8,-2.3 -2,-0.4 2,-0.3 -0.980 18.9 162.6-124.9 138.6 17.4 16.8 -0.6 66 66 A S E -I 49 0B 0 -17,-2.7 -17,-3.0 -2,-0.4 2,-0.3 -0.979 24.5-153.2-149.0 161.4 19.4 14.5 -2.8 67 67 A Y E > -I 48 0B 9 -2,-0.3 3,-2.2 -19,-0.2 -19,-0.2 -0.933 49.0 -76.3-128.3 161.0 19.3 12.4 -5.9 68 68 A S T 3 S+ 0 0 72 -21,-0.6 757,-0.1 -2,-0.3 3,-0.1 -0.216 119.4 5.0 -49.0 127.7 21.3 9.3 -6.7 69 69 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 822,-0.1 -1,-0.3 0.646 111.0 117.4 76.4 6.1 24.8 10.3 -7.7 70 70 A S S < S- 0 0 11 -3,-2.2 2,-0.3 821,-0.1 -1,-0.2 -0.792 71.8-110.3-112.7 150.2 24.0 13.9 -6.9 71 71 A S - 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