==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 16-MAR-06 2GDF . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA VIOLACEA; . AUTHOR F.GALLEGO DEL SOL,J.J.C.CHORNET,B.S.CAVADA . 926 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 68.4 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 . 413 44.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 94 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 6.5 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 . 8 0.9 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 . 2 12 0 4 8 11 5 6 8 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 0 140 0, 0.0 2,-0.2 0, 0.0 223,-0.1 0.000 360.0 360.0 360.0 159.6 24.5 8.4 25.4 2 2 A D - 0 0 40 221,-0.2 2,-0.6 209,-0.1 204,-0.0 -0.617 360.0-126.4 -82.5 152.7 24.8 7.4 21.7 3 3 A T - 0 0 39 -2,-0.2 204,-0.6 2,-0.0 2,-0.4 -0.915 35.7-165.4 -96.5 116.8 23.4 4.1 20.4 4 4 A I E +A 206 0A 2 -2,-0.6 26,-3.2 202,-0.2 2,-0.4 -0.897 27.3 174.3-118.9 130.8 26.2 2.2 18.6 5 5 A V E +AB 205 29A 3 200,-2.5 200,-3.8 -2,-0.4 2,-0.3 -0.994 29.9 170.4-124.0 119.9 26.4 -0.7 16.1 6 6 A A E -AB 204 28A 2 22,-2.0 22,-2.8 -2,-0.4 2,-0.5 -0.907 38.7-152.8-133.5 152.4 29.9 -1.2 14.9 7 7 A V E -AB 203 27A 3 196,-2.8 196,-1.8 -2,-0.3 2,-0.3 -0.994 37.8-170.1-118.8 121.0 32.2 -3.5 13.0 8 8 A E E -AB 202 26A 2 18,-2.7 18,-2.3 -2,-0.5 2,-0.5 -0.846 30.6-153.4-122.1 150.9 35.8 -2.9 14.3 9 9 A L E -AB 201 25A 0 192,-2.4 192,-2.2 -2,-0.3 2,-0.5 -0.988 30.6-178.4-116.1 122.2 39.4 -3.7 13.5 10 10 A D E +AB 200 24A 6 14,-2.4 14,-2.3 -2,-0.5 190,-0.2 -0.984 30.5 168.1-137.5 119.0 41.3 -3.6 16.7 11 11 A S + 0 0 12 188,-3.4 189,-0.2 -2,-0.5 -1,-0.1 0.287 49.7 115.0-109.6 4.5 45.0 -4.1 17.5 12 12 A Y S S- 0 0 19 187,-0.5 2,-0.3 186,-0.1 -2,-0.1 -0.356 78.1 -98.4 -62.9 152.7 44.9 -2.8 21.1 13 13 A P - 0 0 89 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.593 30.7-153.8 -64.3 128.0 45.6 -5.1 24.0 14 14 A N - 0 0 46 6,-0.6 8,-0.0 -2,-0.3 -2,-0.0 -0.887 14.9-179.7-107.5 99.3 42.3 -6.3 25.5 15 15 A T + 0 0 91 -2,-0.8 2,-0.3 6,-0.0 -1,-0.1 0.429 46.5 108.1 -84.7 3.0 43.2 -7.0 29.0 16 16 A D S S- 0 0 60 1,-0.1 3,-0.1 4,-0.1 -2,-0.1 -0.624 76.3-124.2 -84.9 143.2 39.7 -8.1 30.0 17 17 A I S S+ 0 0 166 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.894 103.0 50.1 -59.3 -50.1 39.5 -11.8 30.6 18 18 A G S S+ 0 0 79 -3,-0.0 -1,-0.2 2,-0.0 -4,-0.0 0.933 100.7 81.0 -48.7 -51.1 36.7 -12.8 28.1 19 19 A D S S- 0 0 44 1,-0.1 14,-0.0 -3,-0.1 -5,-0.0 0.212 84.0 -83.4 -69.5 171.3 38.3 -10.9 25.2 20 20 A P - 0 0 27 0, 0.0 -6,-0.6 0, 0.0 -1,-0.1 -0.103 11.2-138.4 -90.1 173.8 41.2 -12.0 22.8 21 21 A N S S+ 0 0 104 -8,-0.1 -2,-0.0 2,-0.1 -6,-0.0 0.227 82.3 44.9-110.8 5.7 45.0 -12.0 22.7 22 22 A Y S S- 0 0 106 -12,-0.1 -12,-0.1 -10,-0.0 -10,-0.1 -0.904 101.4 -66.9-140.4 165.3 45.6 -10.8 19.1 23 23 A P - 0 0 4 0, 0.0 17,-2.4 0, 0.0 2,-0.3 -0.398 65.1-178.5 -52.5 135.8 44.4 -8.2 16.6 24 24 A H E -BC 10 39A 3 -14,-2.3 -14,-2.4 15,-0.3 2,-0.4 -0.914 34.6-130.3-138.9 157.2 40.8 -9.0 15.8 25 25 A I E +BC 9 38A 0 13,-2.6 13,-1.7 -2,-0.3 2,-0.3 -0.962 41.9 175.6-105.0 133.7 37.8 -8.1 13.7 26 26 A G E -BC 8 37A 0 -18,-2.3 -18,-2.7 -2,-0.4 2,-0.5 -0.979 34.3-125.9-144.7 159.6 34.6 -7.8 15.8 27 27 A I E -BC 7 36A 0 9,-3.0 8,-1.3 -2,-0.3 9,-0.9 -0.881 26.3-160.2-105.8 122.9 30.9 -6.9 15.9 28 28 A D E -B 6 0A 0 -22,-2.8 -22,-2.0 -2,-0.5 2,-0.6 -0.891 8.9-172.7-109.1 122.8 29.9 -4.4 18.6 29 29 A I E S-B 5 0A 12 -2,-0.5 -24,-0.2 4,-0.4 4,-0.1 -0.925 74.9 -43.8-116.3 104.4 26.3 -4.1 19.7 30 30 A K S S+ 0 0 118 -26,-3.2 2,-0.3 -2,-0.6 -25,-0.1 0.339 126.9 67.6 66.5 -6.2 25.9 -1.1 22.0 31 31 A S S S- 0 0 12 -27,-0.1 -2,-0.2 2,-0.1 4,-0.2 -0.967 82.6-123.1-140.7 157.8 29.1 -2.0 23.9 32 32 A I S S+ 0 0 18 -2,-0.3 2,-1.0 194,-0.2 196,-0.1 0.677 91.8 90.9 -72.8 -18.4 32.8 -2.0 23.3 33 33 A R S S- 0 0 83 195,-0.3 -4,-0.4 -4,-0.1 -2,-0.1 -0.710 88.5-124.6 -83.2 107.2 32.9 -5.7 24.3 34 34 A S - 0 0 30 -2,-1.0 -6,-0.2 1,-0.2 3,-0.1 -0.290 8.6-147.8 -61.5 122.2 32.3 -7.4 20.9 35 35 A K S S+ 0 0 94 -8,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.643 90.2 8.7 -52.5 -19.9 29.4 -9.8 20.8 36 36 A S E S+C 27 0A 34 -9,-0.9 -9,-3.0 41,-0.1 2,-0.3 -0.907 72.5 173.3-164.6 134.8 31.5 -11.8 18.3 37 37 A T E -C 26 0A 55 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.868 7.7-169.1-136.7 175.4 35.2 -11.5 17.1 38 38 A A E -C 25 0A 26 -13,-1.7 -13,-2.6 -2,-0.3 35,-0.1 -0.954 41.3 -73.5-157.7 158.0 37.6 -13.4 14.9 39 39 A R E -C 24 0A 105 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.223 39.5-159.2 -52.0 140.7 41.4 -13.2 14.2 40 40 A W - 0 0 1 -17,-2.4 2,-1.9 -30,-0.1 -1,-0.1 -0.957 11.1-150.1-125.2 111.1 42.6 -10.3 12.0 41 41 A N - 0 0 78 -2,-0.5 2,-0.6 24,-0.1 -17,-0.1 -0.546 26.2-153.9 -77.7 82.0 45.9 -10.8 10.3 42 42 A M - 0 0 16 -2,-1.9 2,-0.8 1,-0.1 -1,-0.0 -0.389 10.7-165.8 -69.7 105.7 46.6 -7.1 10.5 43 43 A Q > - 0 0 71 -2,-0.6 3,-1.4 3,-0.1 147,-0.3 -0.769 9.4-148.5-102.1 103.0 49.0 -6.1 7.6 44 44 A T T 3 S+ 0 0 29 -2,-0.8 147,-0.2 151,-0.5 3,-0.1 -0.280 80.5 17.4 -67.1 146.5 50.6 -2.6 8.1 45 45 A G T 3 S+ 0 0 44 145,-4.0 2,-0.4 1,-0.2 -1,-0.2 0.548 104.9 101.0 64.3 7.0 51.4 -0.6 4.9 46 46 A K S < S- 0 0 127 -3,-1.4 144,-0.5 144,-0.3 2,-0.3 -0.942 79.8-110.2-117.3 148.2 49.1 -2.9 2.7 47 47 A V E -H 189 0B 51 -2,-0.4 21,-0.6 142,-0.1 2,-0.3 -0.591 35.7-159.1 -80.2 130.5 45.6 -1.8 1.7 48 48 A G E -HI 188 67B 0 140,-2.7 140,-1.6 -2,-0.3 2,-0.5 -0.761 5.6-143.0-111.7 156.2 42.8 -3.8 3.3 49 49 A T E -HI 187 66B 21 17,-3.0 17,-1.4 -2,-0.3 2,-0.5 -0.961 9.4-168.3-124.0 128.8 39.2 -4.4 2.4 50 50 A V E -HI 186 65B 0 136,-2.7 136,-1.7 -2,-0.5 2,-0.4 -0.953 3.6-177.0-112.7 124.1 36.1 -4.6 4.6 51 51 A H E +HI 185 64B 18 13,-1.7 13,-1.8 -2,-0.5 2,-0.4 -0.989 7.6 179.6-115.3 132.0 32.7 -5.8 3.4 52 52 A I E +HI 184 63B 3 132,-2.6 132,-2.2 -2,-0.4 2,-0.3 -0.922 2.6 175.2-126.1 144.8 29.8 -5.7 5.9 53 53 A S E -HI 183 62B 11 9,-2.4 9,-2.5 -2,-0.4 2,-0.3 -0.993 9.8-179.3-151.3 153.9 26.3 -6.8 5.2 54 54 A Y E -H 182 0B 14 128,-2.4 128,-2.0 -2,-0.3 2,-0.3 -0.987 6.4-171.0-146.4 153.7 22.9 -7.2 7.0 55 55 A N E >> -H 181 0B 18 5,-0.4 4,-1.8 -2,-0.3 5,-0.7 -0.978 21.9-141.9-145.4 130.6 19.5 -8.4 6.1 56 56 A S T 45S+ 0 0 4 124,-2.7 125,-0.1 -2,-0.3 26,-0.1 0.618 102.4 51.8 -78.4 -13.3 16.6 -8.0 8.5 57 57 A V T 45S+ 0 0 12 123,-0.2 -1,-0.2 1,-0.1 702,-0.1 0.895 116.6 39.4 -77.9 -46.3 15.0 -11.4 7.4 58 58 A A T 45S- 0 0 8 2,-0.1 -2,-0.2 698,-0.1 -1,-0.1 0.710 90.5-156.6 -74.7 -23.1 18.3 -13.2 8.0 59 59 A K T <5 + 0 0 78 -4,-1.8 20,-2.6 1,-0.2 2,-0.5 0.798 48.6 130.1 45.1 35.6 19.0 -11.2 11.1 60 60 A R E < - J 0 78B 56 -5,-0.7 2,-0.5 18,-0.2 -5,-0.4 -0.978 43.3-162.8-120.1 119.9 22.7 -12.0 10.6 61 61 A L E + J 0 77B 3 16,-2.5 16,-2.0 -2,-0.5 2,-0.3 -0.881 22.1 173.5 -98.8 126.0 25.2 -9.1 10.6 62 62 A S E -IJ 53 76B 1 -9,-2.5 -9,-2.4 -2,-0.5 2,-0.3 -0.946 18.0-171.5-141.1 162.5 28.5 -10.1 9.1 63 63 A A E -IJ 52 75B 0 12,-2.1 12,-2.1 -2,-0.3 2,-0.3 -0.973 4.7-161.4-147.9 148.3 31.9 -8.7 8.0 64 64 A V E -IJ 51 74B 3 -13,-1.8 -13,-1.7 -2,-0.3 2,-0.4 -0.993 2.6-162.6-133.3 144.1 35.0 -9.8 6.1 65 65 A V E +IJ 50 73B 2 8,-2.1 8,-2.1 -2,-0.3 2,-0.3 -0.992 19.9 159.8-123.5 135.0 38.6 -8.4 6.0 66 66 A S E -I 49 0B 2 -17,-1.4 -17,-3.0 -2,-0.4 2,-0.3 -0.963 26.0-151.6-145.7 161.5 41.1 -9.2 3.3 67 67 A Y E > -I 48 0B 6 -2,-0.3 3,-1.7 4,-0.3 -19,-0.2 -0.907 46.6 -82.9-123.6 156.0 44.3 -7.9 1.7 68 68 A S T 3 S+ 0 0 80 -21,-0.6 3,-0.1 -2,-0.3 -21,-0.0 -0.327 115.9 6.6 -66.6 145.3 45.3 -8.5 -1.9 69 69 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -2,-0.0 2,-0.2 0.470 118.9 105.1 53.6 4.4 47.0 -11.9 -2.7 70 70 A S S < S- 0 0 28 -3,-1.7 -1,-0.2 1,-0.1 2,-0.2 -0.588 74.0-110.7-102.2 170.3 46.1 -12.5 1.0 71 71 A S - 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