==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 29-MAR-11 3AX4 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA VIOLACEA; . AUTHOR M.J.B.BEZERRA,G.A.BEZERRA,J.L.MARTINS,K.S.NASCIMENTO,C.S.NAG . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 67.2 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 . 97 41.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 25 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 1 3 0 1 2 3 2 1 1 0 1 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 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 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, 0.0 214,-0.1 0, 0.0 228,-0.0 0.000 360.0 360.0 360.0 111.5 28.6 30.9 20.1 2 2 A D - 0 0 50 214,-0.2 2,-0.5 1,-0.1 209,-0.0 -0.039 360.0-125.3 -55.8 148.6 25.4 30.9 18.0 3 3 A T - 0 0 38 2,-0.0 209,-0.8 26,-0.0 2,-0.4 -0.838 36.3-166.5 -88.7 133.9 22.1 32.1 19.3 4 4 A I E +A 211 0A 1 -2,-0.5 26,-2.9 207,-0.2 2,-0.5 -0.980 26.9 175.5-134.8 124.4 19.5 29.3 18.9 5 5 A V E +AB 210 29A 3 205,-2.4 205,-1.8 -2,-0.4 2,-0.3 -0.982 27.6 168.7-118.3 117.6 15.8 29.0 19.1 6 6 A A E -AB 209 28A 0 22,-2.0 22,-2.6 -2,-0.5 2,-0.6 -0.897 37.6-145.2-128.7 153.1 14.7 25.5 18.2 7 7 A V E -AB 208 27A 2 201,-2.3 201,-1.9 -2,-0.3 2,-0.5 -0.978 34.5-157.4-111.3 112.2 11.6 23.3 18.3 8 8 A E E -AB 207 26A 0 18,-2.6 18,-2.6 -2,-0.6 2,-1.0 -0.791 27.8-161.0 -99.4 129.3 12.8 19.9 19.1 9 9 A L E -AB 206 25A 0 197,-3.5 197,-1.5 -2,-0.5 2,-1.3 -0.818 29.3-160.0 -90.7 82.4 11.2 16.6 18.4 10 10 A D E -AB 205 24A 0 14,-2.0 14,-2.0 -2,-1.0 195,-0.3 -0.558 15.9-178.4 -73.5 94.7 13.5 15.0 21.0 11 11 A S + 0 0 2 -2,-1.3 194,-0.2 193,-0.5 -1,-0.2 0.863 65.9 55.8 -57.0 -39.1 13.4 11.3 20.0 12 12 A Y S S- 0 0 49 192,-2.0 2,-0.3 -3,-0.1 -1,-0.1 -0.866 79.8-131.3-114.1 119.5 15.7 10.3 22.9 13 13 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.498 22.5-179.1 -63.6 121.6 15.2 11.0 26.6 14 14 A N > > + 0 0 13 -2,-0.3 3,-1.8 6,-0.2 5,-1.1 -0.699 8.5 168.5-118.2 75.4 18.4 12.4 28.1 15 15 A T G > 5 + 0 0 82 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.864 68.7 71.3 -55.3 -39.7 17.4 12.8 31.8 16 16 A D G 3 5S+ 0 0 115 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.492 109.1 34.1 -61.9 -1.3 21.0 13.5 32.8 17 17 A I G < 5S- 0 0 7 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.001 133.0 -73.9-142.0 32.4 20.8 16.9 31.1 18 18 A G T < 5S+ 0 0 46 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 -0.254 82.7 135.1 113.6 -46.1 17.1 18.0 31.6 19 19 A D < - 0 0 8 -5,-1.1 -1,-0.3 -7,-0.1 -2,-0.1 0.097 57.8-110.8 -38.7 145.1 15.1 15.9 29.2 20 20 A P - 0 0 22 0, 0.0 -6,-0.2 0, 0.0 4,-0.1 -0.137 41.4 -91.4 -63.7 177.4 11.8 14.3 30.5 21 21 A N S S+ 0 0 138 -8,-0.1 -2,-0.1 -7,-0.1 -6,-0.0 0.338 103.5 36.7 -75.0 9.2 11.7 10.6 31.0 22 22 A Y S S- 0 0 57 -10,-0.1 -8,-0.2 -8,-0.0 -10,-0.1 -0.954 101.2 -62.6-157.8 158.7 10.4 10.1 27.5 23 23 A P + 0 0 40 0, 0.0 17,-2.1 0, 0.0 2,-0.3 -0.296 67.3 163.0 -49.1 135.8 10.3 11.1 23.8 24 24 A H E -BC 10 39A 0 -14,-2.0 -14,-2.0 15,-0.3 2,-0.4 -0.987 43.8-116.7-157.5 157.2 9.1 14.7 23.8 25 25 A I E -BC 9 38A 0 13,-1.7 13,-1.9 -2,-0.3 2,-0.3 -0.895 39.9-173.0 -98.6 135.0 8.7 17.9 21.8 26 26 A G E -BC 8 37A 0 -18,-2.6 -18,-2.6 -2,-0.4 2,-0.6 -0.904 26.8-137.7-130.6 154.4 10.6 20.8 23.4 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.1 -2,-0.3 9,-0.9 -0.967 26.3-161.8-111.4 114.9 11.0 24.6 22.9 28 28 A D E -B 6 0A 0 -22,-2.6 -22,-2.0 -2,-0.6 2,-0.8 -0.868 12.7-173.2-106.9 114.2 14.6 25.5 23.3 29 29 A I E S-B 5 0A 15 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.813 80.8 -39.5-105.5 92.1 15.5 29.1 24.0 30 30 A K S S+ 0 0 125 -26,-2.9 2,-0.2 -2,-0.8 -1,-0.2 0.877 127.4 76.1 59.6 41.1 19.3 29.2 23.8 31 31 A S S S- 0 0 5 -27,-0.3 4,-0.2 1,-0.1 -25,-0.2 -0.807 76.6-133.0-175.8 136.1 19.6 25.9 25.6 32 32 A I S S+ 0 0 0 201,-0.5 2,-0.8 199,-0.3 200,-0.1 0.755 93.8 87.7 -62.2 -24.8 19.2 22.2 24.9 33 33 A R S S- 0 0 101 200,-0.3 -4,-0.3 199,-0.2 2,-0.1 -0.699 90.4-126.1 -77.0 112.6 17.2 22.1 28.1 34 34 A S - 0 0 30 -2,-0.8 -6,-0.2 1,-0.2 3,-0.1 -0.372 11.1-149.2 -69.4 133.1 13.7 23.0 26.9 35 35 A K S S+ 0 0 104 -8,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.795 92.2 15.5 -64.9 -29.5 11.9 25.9 28.6 36 36 A S E S+C 27 0A 33 -9,-0.9 -9,-2.3 41,-0.1 2,-0.3 -0.996 71.5 175.9-143.4 145.1 8.8 23.8 27.8 37 37 A T E -C 26 0A 49 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.982 11.2-161.2-142.6 156.7 8.1 20.2 26.8 38 38 A A E -C 25 0A 21 -13,-1.9 -13,-1.7 -2,-0.3 2,-0.3 -0.981 39.6 -94.8-133.2 148.7 5.2 18.0 26.1 39 39 A R E -C 24 0A 151 -2,-0.3 2,-0.7 -15,-0.2 -15,-0.3 -0.486 41.1-147.3 -63.4 121.6 5.0 14.2 26.1 40 40 A W - 0 0 5 -17,-2.1 2,-2.0 -2,-0.3 -1,-0.1 -0.850 5.0-145.7 -98.1 113.2 5.5 13.2 22.4 41 41 A N - 0 0 89 -2,-0.7 -17,-0.1 30,-0.2 -2,-0.0 -0.548 29.2-152.6 -77.3 80.2 3.6 10.0 21.5 42 42 A M - 0 0 31 -2,-2.0 2,-0.1 -19,-0.1 25,-0.0 -0.107 17.8-168.4 -55.0 148.5 6.3 8.8 19.0 43 43 A Q > - 0 0 36 3,-0.2 3,-2.1 152,-0.0 152,-0.2 -0.591 11.6-156.1-141.8 77.1 5.3 6.6 16.1 44 44 A T T 3 S+ 0 0 62 1,-0.3 152,-0.2 -2,-0.1 3,-0.1 -0.323 80.0 25.2 -55.6 122.2 8.4 5.2 14.4 45 45 A G T 3 S+ 0 0 44 150,-2.2 2,-0.3 1,-0.5 -1,-0.3 0.169 103.3 95.3 107.4 -16.0 7.8 4.3 10.8 46 46 A K S < S- 0 0 122 -3,-2.1 149,-0.8 149,-0.3 2,-0.6 -0.728 83.2-103.8-102.8 158.5 4.9 6.7 10.3 47 47 A V E -H 194 0B 61 -2,-0.3 21,-0.5 147,-0.2 147,-0.2 -0.719 36.2-155.7 -88.6 117.1 5.2 10.2 8.8 48 48 A G E -H 193 0B 0 145,-2.4 145,-1.7 -2,-0.6 2,-0.3 -0.405 2.5-151.7 -86.3 167.3 5.0 13.0 11.4 49 49 A T E -HI 192 66B 35 17,-1.3 17,-1.5 143,-0.3 2,-0.5 -0.882 6.5-166.2-146.9 106.4 4.0 16.6 10.8 50 50 A V E -HI 191 65B 0 141,-2.7 141,-1.7 -2,-0.3 2,-0.4 -0.811 1.6-169.3 -95.5 129.7 5.2 19.6 12.9 51 51 A H E -HI 190 64B 82 13,-2.6 13,-2.3 -2,-0.5 2,-0.4 -0.977 6.9-172.3-114.4 133.5 3.5 22.9 12.7 52 52 A I E +HI 189 63B 3 137,-2.2 137,-2.1 -2,-0.4 2,-0.3 -0.978 8.1 169.0-127.8 136.2 5.2 25.9 14.3 53 53 A S E +HI 188 62B 40 9,-2.4 9,-2.5 -2,-0.4 2,-0.2 -0.949 6.4 153.5-144.2 164.4 3.8 29.4 14.7 54 54 A Y E -H 187 0B 13 133,-0.8 133,-2.7 -2,-0.3 2,-0.3 -0.735 13.4-170.3 174.2 132.0 4.6 32.6 16.6 55 55 A N E >> -H 186 0B 53 131,-0.3 4,-1.4 -2,-0.2 5,-0.6 -0.894 32.8-121.3-126.2 167.1 3.9 36.3 16.2 56 56 A S T 45S+ 0 0 6 129,-0.9 130,-0.1 -2,-0.3 26,-0.1 0.531 107.0 59.1 -87.2 -6.6 5.5 39.1 18.2 57 57 A V T 45S+ 0 0 101 128,-0.1 -1,-0.2 1,-0.1 129,-0.0 0.918 114.9 32.6 -82.7 -50.7 2.1 40.4 19.5 58 58 A A T 45S- 0 0 63 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.817 92.9-153.1 -72.7 -31.3 1.0 37.2 21.2 59 59 A K T <5 + 0 0 86 -4,-1.4 20,-1.1 1,-0.2 2,-0.4 0.918 47.7 131.2 55.8 48.1 4.7 36.4 22.0 60 60 A R E < - J 0 78B 133 -5,-0.6 2,-0.5 18,-0.3 18,-0.2 -0.856 46.2-157.0-137.2 100.4 3.9 32.7 22.1 61 61 A L E + J 0 77B 2 16,-1.8 16,-1.2 -2,-0.4 2,-0.4 -0.643 26.7 179.6 -71.3 118.6 6.1 30.2 20.2 62 62 A S E -IJ 53 76B 31 -9,-2.5 -9,-2.4 -2,-0.5 2,-0.3 -0.950 14.1-175.5-127.6 146.8 3.9 27.2 19.7 63 63 A A E -IJ 52 75B 4 12,-2.1 12,-2.4 -2,-0.4 2,-0.4 -0.999 4.5-168.8-139.7 140.8 4.4 23.8 18.0 64 64 A V E -IJ 51 74B 37 -13,-2.3 -13,-2.6 -2,-0.3 2,-0.4 -0.975 5.0-162.5-124.9 144.8 2.2 20.8 17.3 65 65 A V E +IJ 50 73B 2 8,-1.4 8,-1.9 -2,-0.4 2,-0.3 -0.997 18.4 171.1-128.0 132.8 3.3 17.4 16.1 66 66 A S E -I 49 0B 35 -17,-1.5 -17,-1.3 -2,-0.4 2,-0.3 -0.962 26.3-154.5-142.7 153.4 0.9 14.9 14.6 67 67 A Y > - 0 0 7 3,-0.3 3,-2.4 -2,-0.3 -19,-0.1 -0.900 56.3 -70.6-119.0 157.5 0.5 11.7 12.7 68 68 A S T 3 S- 0 0 123 -21,-0.5 3,-0.1 -2,-0.3 -1,-0.0 -0.185 114.1 -13.9 -52.1 124.8 -2.5 10.9 10.5 69 69 A G T 3 S+ 0 0 90 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.715 111.6 122.3 54.8 24.1 -5.7 10.4 12.5 70 70 A S S < S- 0 0 41 -3,-2.4 -3,-0.3 1,-0.0 -1,-0.2 -0.870 76.2 -86.9-118.6 152.1 -3.6 10.2 15.7 71 71 A S - 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