==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 30-JUL-98 1LU2 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIGNA UNGUICULATA SUBSP. CYLINDRICA; . AUTHOR T.W.HAMELRYCK,R.LORIS,J.BOUCKAERT,G.STRECKER,A.IMBERTY, . 506 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 40.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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-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 . 51 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 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 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 . 2 6 4 0 5 4 4 4 4 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 . 2 0 0 0 0 0 2 0 0 0 0 0 0 0 1 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 37 0, 0.0 2,-0.4 0, 0.0 262,-0.1 0.000 360.0 360.0 360.0 146.2 12.9 -1.2 6.7 2 2 A N E -A 233 0A 15 231,-2.6 231,-2.6 260,-0.2 2,-0.4 -0.905 360.0-171.5-109.4 135.9 10.3 -1.0 9.5 3 3 A I E +AB 232 261A 42 258,-2.9 258,-2.3 -2,-0.4 2,-0.4 -0.983 12.4 174.6-133.7 137.3 6.8 0.2 8.8 4 4 A Q E +AB 231 260A 13 227,-1.5 227,-2.2 -2,-0.4 2,-0.3 -0.992 15.6 151.5-135.1 142.6 3.8 1.1 10.9 5 5 A S E +AB 230 259A 17 254,-2.2 254,-2.2 -2,-0.4 2,-0.3 -0.990 13.7 177.9-164.6 162.0 0.6 2.6 9.7 6 6 A F E -AB 229 258A 2 223,-2.2 223,-2.4 -2,-0.3 2,-0.3 -0.976 12.2-158.3-162.5 163.9 -3.1 2.9 10.4 7 7 A S E -AB 228 257A 9 250,-2.3 250,-2.9 -2,-0.3 2,-0.5 -0.873 11.7-172.3-154.6 114.5 -6.3 4.6 9.1 8 8 A F E +A 227 0A 5 219,-2.7 219,-2.0 -2,-0.3 248,-0.2 -0.950 21.4 163.5-116.2 125.7 -9.4 5.1 11.3 9 9 A K S S+ 0 0 70 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.637 79.1 45.1-105.2 -23.7 -12.7 6.4 9.9 10 10 A N S S- 0 0 57 1,-0.1 -1,-0.2 2,-0.1 18,-0.2 -0.942 72.6-153.6-121.3 143.6 -14.6 5.2 13.0 11 11 A F + 0 0 0 16,-1.8 17,-0.1 -2,-0.4 -1,-0.1 0.694 44.5 120.8-101.9 -15.3 -13.4 5.7 16.6 12 12 A N + 0 0 50 2,-0.1 -2,-0.1 3,-0.0 3,-0.1 -0.226 52.9 90.4 -47.6 121.5 -14.5 3.3 19.3 13 13 A S S > S- 0 0 30 1,-0.1 3,-0.7 11,-0.0 444,-0.0 -0.734 76.3-112.1 155.1 157.9 -11.5 1.5 20.9 14 14 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.319 91.2 95.1 -79.9 -1.1 -8.5 0.7 23.2 15 15 A S T 3 S+ 0 0 3 291,-0.1 36,-2.8 -3,-0.1 2,-0.3 0.553 80.8 64.5 -73.4 -5.0 -6.2 1.4 20.3 16 16 A F E < S-P 50 0B 15 -3,-0.7 2,-0.6 34,-0.2 34,-0.2 -0.857 73.8-138.4-121.5 155.6 -5.9 4.9 21.7 17 17 A I E -P 49 0B 76 32,-2.9 32,-2.1 -2,-0.3 2,-0.3 -0.947 26.4-163.2-111.0 110.4 -4.5 6.5 24.9 18 18 A L E +P 48 0B 72 -2,-0.6 2,-0.3 30,-0.2 30,-0.2 -0.753 9.8 179.8 -98.9 143.1 -6.8 9.2 26.1 19 19 A Q E > -P 47 0B 29 28,-2.2 28,-1.9 -2,-0.3 3,-1.6 -0.944 52.3 -5.1-136.2 155.2 -5.7 11.9 28.6 20 20 A G E 3 S-P 46 0B 57 -2,-0.3 26,-0.3 1,-0.2 12,-0.1 -0.368 127.1 -20.8 64.7-135.2 -7.6 14.8 30.2 21 21 A D T 3 S+ 0 0 52 24,-3.0 25,-0.2 10,-0.3 -1,-0.2 0.278 95.7 131.9 -92.6 8.3 -11.1 15.4 28.8 22 22 A A < + 0 0 13 -3,-1.6 2,-0.3 23,-0.2 9,-0.2 -0.355 31.0 164.4 -61.5 140.2 -10.5 13.5 25.5 23 23 A T E -C 30 0A 56 7,-2.1 7,-2.5 9,-0.1 2,-0.5 -0.961 36.4-125.6-153.1 166.0 -13.3 11.1 24.8 24 24 A V E +C 29 0A 40 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.983 36.2 160.0-121.1 122.8 -14.8 9.0 22.0 25 25 A S E > +C 28 0A 44 3,-2.1 3,-1.7 -2,-0.5 -2,-0.1 -0.978 64.8 1.9-148.2 132.4 -18.4 9.4 21.2 26 26 A S T 3 S- 0 0 125 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.852 125.8 -66.3 62.3 32.4 -20.5 8.5 18.2 27 27 A G T 3 S+ 0 0 9 1,-0.2 -16,-1.8 -17,-0.1 2,-0.3 0.501 113.2 110.4 70.3 1.9 -17.3 7.1 16.7 28 28 A K E < S-C 25 0A 23 -3,-1.7 -3,-2.1 -18,-0.2 2,-0.7 -0.787 72.6-114.9-109.2 156.9 -15.6 10.5 16.5 29 29 A L E -CD 24 224A 0 195,-2.3 195,-3.2 -2,-0.3 2,-0.8 -0.812 26.5-167.8 -93.5 112.7 -12.7 11.7 18.6 30 30 A Q E -CD 23 223A 40 -7,-2.5 -7,-2.1 -2,-0.7 193,-0.2 -0.846 4.4-174.3-101.6 100.1 -13.7 14.6 20.9 31 31 A L + 0 0 0 191,-2.2 2,-0.3 -2,-0.8 -10,-0.3 0.797 64.8 39.6 -66.1 -31.8 -10.5 16.1 22.4 32 32 A T S S- 0 0 2 190,-0.3 190,-0.2 1,-0.1 -9,-0.1 -0.814 93.9 -81.7-121.6 162.5 -12.2 18.6 24.8 33 33 A K - 0 0 110 -2,-0.3 8,-1.1 8,-0.1 2,-0.3 -0.161 39.2-174.5 -59.8 148.4 -15.2 18.7 27.1 34 34 A V B -W 40 0C 41 6,-0.2 5,-0.1 -4,-0.1 -4,-0.0 -0.991 22.9-122.2-145.8 135.8 -18.7 19.3 25.9 35 35 A K > - 0 0 45 4,-3.0 3,-1.3 -2,-0.3 6,-0.0 -0.147 37.9 -99.2 -69.1 171.2 -21.9 19.8 27.9 36 36 A E T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.868 125.1 55.3 -61.7 -37.5 -24.9 17.4 27.3 37 37 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.480 124.0-107.7 -74.4 -1.9 -26.6 20.1 25.0 38 38 A G S < S+ 0 0 37 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.326 72.6 137.8 95.2 -7.6 -23.4 20.0 23.0 39 39 A I - 0 0 77 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.468 55.6-109.3 -76.4 144.2 -21.9 23.4 23.9 40 40 A P B -W 34 0C 8 0, 0.0 -6,-0.2 0, 0.0 181,-0.1 -0.159 29.0-133.0 -64.6 166.8 -18.1 23.5 24.6 41 41 A T > - 0 0 32 -8,-1.1 3,-0.5 179,-0.2 179,-0.2 -0.938 14.5-116.9-126.9 143.5 -16.7 24.1 28.1 42 42 A P T 3 S+ 0 0 26 0, 0.0 172,-0.2 0, 0.0 171,-0.1 -0.247 90.5 26.5 -74.0 163.9 -13.9 26.5 29.3 43 43 A S T 3 S+ 0 0 75 170,-3.2 2,-0.2 1,-0.2 171,-0.1 0.814 88.4 152.8 54.3 32.7 -10.6 25.5 30.9 44 44 A S < + 0 0 2 -3,-0.5 168,-1.3 169,-0.3 58,-0.5 -0.556 22.6 178.7 -94.3 159.2 -10.7 22.1 29.1 45 45 A L E + Q 0 211B 25 166,-0.2 -24,-3.0 -2,-0.2 2,-0.3 -0.883 5.3 164.6-161.4 125.7 -7.8 19.9 28.0 46 46 A G E -PQ 20 210B 0 164,-1.8 164,-2.2 -26,-0.3 2,-0.3 -0.996 9.2-173.5-144.6 145.1 -7.6 16.6 26.3 47 47 A R E -PQ 19 209B 0 -28,-1.9 -28,-2.2 -2,-0.3 2,-0.3 -0.920 2.8-169.6-134.0 160.2 -4.9 14.6 24.5 48 48 A A E +PQ 18 208B 0 160,-2.1 160,-1.9 -2,-0.3 2,-0.3 -0.931 5.9 180.0-155.6 127.7 -5.0 11.3 22.5 49 49 A F E -PQ 17 207B 6 -32,-2.1 -32,-2.9 -2,-0.3 158,-0.2 -0.913 36.7-100.0-131.7 156.7 -2.3 9.1 21.2 50 50 A Y E -P 16 0B 2 156,-2.1 -34,-0.2 -2,-0.3 156,-0.2 -0.533 36.5-127.3 -69.9 137.0 -1.9 5.8 19.2 51 51 A S S S+ 0 0 24 -36,-2.8 -1,-0.1 -2,-0.2 -35,-0.1 0.671 89.7 75.2 -64.9 -13.6 -1.3 3.1 21.7 52 52 A S S S- 0 0 0 -37,-0.3 154,-0.3 154,-0.1 -2,-0.1 -0.870 81.6-129.3-106.0 125.6 1.8 1.9 19.8 53 53 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 152,-0.2 -0.303 20.6-141.9 -65.4 150.8 5.1 4.0 19.9 54 54 A I E -R 204 0B 1 150,-2.4 150,-2.2 214,-0.0 2,-0.8 -0.930 8.4-129.5-118.2 140.7 6.8 4.9 16.7 55 55 A Q E -R 203 0B 10 -2,-0.4 148,-0.2 148,-0.2 147,-0.1 -0.797 19.5-175.5 -92.1 113.0 10.5 5.0 16.0 56 56 A I - 0 0 1 146,-2.0 9,-2.7 -2,-0.8 2,-0.3 0.737 67.7 -20.2 -77.5 -25.9 11.5 8.3 14.4 57 57 A Y E -X 64 0D 36 145,-1.0 2,-0.5 7,-0.2 7,-0.2 -0.975 59.3-118.2-171.1 169.0 15.1 7.3 13.9 58 58 A D E >> -X 63 0D 11 5,-2.6 4,-2.4 -2,-0.3 5,-0.5 -0.961 8.9-161.5-128.5 116.0 17.8 4.9 15.0 59 59 A K T 45S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.903 91.8 54.5 -58.2 -45.5 21.0 6.2 16.6 60 60 A S T 45S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.929 120.3 27.8 -56.1 -50.7 22.9 3.0 15.9 61 61 A T T 45S- 0 0 63 2,-0.1 176,-0.2 173,-0.1 -1,-0.2 0.675 96.9-125.5 -88.8 -21.4 22.2 2.9 12.1 62 62 A G T <5 + 0 0 41 -4,-2.4 2,-0.3 1,-0.3 -3,-0.1 0.540 59.0 147.6 86.0 6.1 21.8 6.6 11.3 63 63 A A E < -X 58 0D 0 -5,-0.5 -5,-2.6 172,-0.2 2,-0.4 -0.574 30.1-164.9 -79.1 136.4 18.5 5.9 9.7 64 64 A V E -X 57 0D 29 173,-0.4 176,-0.3 -2,-0.3 -7,-0.2 -0.987 18.3-125.1-123.1 133.1 15.8 8.6 9.9 65 65 A A - 0 0 0 -9,-2.7 2,-0.5 -2,-0.4 168,-0.2 -0.454 8.7-147.8 -81.3 147.8 12.2 7.9 9.2 66 66 A S E +E 232 0A 2 166,-1.8 166,-2.1 174,-0.2 2,-0.3 -0.945 30.8 171.2-109.5 132.0 10.0 9.7 6.7 67 67 A W E -EF 231 168A 7 101,-1.3 101,-2.5 -2,-0.5 2,-0.3 -0.842 19.2-163.9-138.2 175.8 6.4 9.8 7.8 68 68 A A E -EF 230 167A 0 162,-2.3 162,-2.2 -2,-0.3 2,-0.3 -0.964 3.1-173.8-163.0 145.0 3.0 11.4 6.9 69 69 A T E -EF 229 166A 0 97,-2.5 97,-2.6 -2,-0.3 2,-0.3 -0.956 1.7-174.9-140.7 156.0 -0.4 11.9 8.5 70 70 A S E +EF 228 165A 7 158,-1.7 158,-2.6 -2,-0.3 2,-0.3 -0.979 12.2 161.7-151.9 138.8 -3.8 13.3 7.5 71 71 A F E -EF 227 164A 5 93,-1.6 93,-2.7 -2,-0.3 2,-0.5 -0.986 32.4-125.6-156.1 160.4 -7.0 13.9 9.5 72 72 A T E -EF 226 163A 19 154,-1.4 153,-4.0 -2,-0.3 154,-0.7 -0.962 27.9-173.5-115.7 120.7 -10.2 15.8 9.3 73 73 A V E -EF 224 162A 5 89,-1.8 89,-1.9 -2,-0.5 2,-0.4 -0.827 13.5-157.4-112.7 151.8 -11.1 18.2 12.2 74 74 A K E -EF 223 161A 65 149,-2.0 149,-1.6 -2,-0.3 2,-0.5 -0.910 10.9-172.7-133.2 104.4 -14.3 20.2 12.8 75 75 A I + 0 0 6 85,-0.5 84,-2.6 -2,-0.4 2,-0.4 -0.878 8.9 178.0-101.7 122.1 -13.9 23.3 15.0 76 76 A S - 0 0 34 -2,-0.5 145,-2.0 145,-0.4 82,-0.1 -0.978 14.1-161.5-128.6 137.8 -17.1 25.0 16.1 77 77 A A - 0 0 12 -2,-0.4 143,-0.2 143,-0.2 6,-0.1 -0.942 32.3-103.9-118.4 137.1 -17.7 28.0 18.3 78 78 A P > - 0 0 33 0, 0.0 3,-2.9 0, 0.0 141,-0.1 -0.241 51.9 -83.2 -57.9 143.6 -21.1 28.8 19.9 79 79 A S T 3 S+ 0 0 135 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.595 120.8 12.2 -6.3 -86.4 -23.1 31.6 18.3 80 80 A K T 3 S+ 0 0 108 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.318 104.1 114.2 -91.1 9.5 -21.7 34.8 19.8 81 81 A A < - 0 0 29 -3,-2.9 137,-0.2 1,-0.1 2,-0.1 -0.467 61.7-123.8 -85.1 153.4 -18.6 33.2 21.4 82 82 A S B -y 218 0E 60 135,-2.8 137,-1.2 -2,-0.1 2,-0.2 -0.477 31.4-100.0 -88.1 161.8 -14.9 33.8 20.4 83 83 A F - 0 0 31 43,-0.2 2,-0.2 135,-0.2 137,-0.1 -0.522 45.3-169.1 -83.9 151.7 -12.5 31.1 19.3 84 84 A A - 0 0 1 -2,-0.2 129,-0.8 127,-0.1 2,-0.1 -0.686 37.0 -18.4 164.9 143.4 -9.9 29.5 21.7 85 85 A D E -S 212 0B 5 127,-0.5 41,-1.0 -2,-0.2 42,-0.6 -0.942 68.5-137.2-109.1 -21.4 -7.5 27.9 22.1 86 86 A G E -ST 211 125B 0 125,-1.3 125,-1.7 39,-0.2 2,-0.3 -0.677 11.0 -92.8 133.1 173.7 -6.7 25.5 19.3 87 87 A I E -ST 210 124B 2 37,-1.5 37,-2.7 123,-0.2 2,-0.4 -0.948 28.2-165.9-128.3 149.1 -5.6 22.0 18.3 88 88 A A E -ST 209 123B 0 121,-2.5 121,-1.7 -2,-0.3 2,-0.6 -0.997 20.0-139.7-140.2 139.0 -2.1 20.5 17.6 89 89 A F E -ST 208 122B 3 33,-3.1 33,-2.8 -2,-0.4 2,-0.3 -0.847 41.5-171.4 -90.7 127.0 -0.8 17.4 16.1 90 90 A A E -ST 207 121B 0 117,-3.1 117,-1.9 -2,-0.6 2,-0.6 -0.930 36.8-153.6-134.0 155.7 2.2 16.4 18.2 91 91 A L E +ST 206 120B 3 29,-2.4 29,-1.4 -2,-0.3 115,-0.2 -0.960 37.7 170.3-116.2 102.6 5.1 14.0 18.6 92 92 A V E -S 205 0B 2 113,-2.3 113,-3.1 -2,-0.6 27,-0.1 -0.739 41.0 -82.4-117.2 164.2 5.8 13.6 22.3 93 93 A P E > -S 204 0B 34 0, 0.0 3,-1.0 0, 0.0 111,-0.2 -0.339 51.4-107.5 -62.2 145.4 8.0 11.4 24.5 94 94 A V T 3 S+ 0 0 68 109,-0.5 110,-0.1 1,-0.2 -2,-0.1 0.815 114.2 35.0 -45.1 -50.5 6.3 8.0 25.2 95 95 A G T 3 S+ 0 0 64 2,-0.0 -1,-0.2 110,-0.0 109,-0.0 0.644 89.0 147.8 -84.1 -11.1 5.3 8.4 28.8 96 96 A S < - 0 0 19 -3,-1.0 3,-0.1 1,-0.1 -4,-0.1 0.324 33.3-152.4 -25.9 137.7 4.5 12.1 28.5 97 97 A E - 0 0 127 1,-0.2 -1,-0.1 10,-0.0 -2,-0.0 -0.807 35.2 -79.8-113.8 156.9 1.8 13.8 30.6 98 98 A P - 0 0 45 0, 0.0 9,-0.2 0, 0.0 -1,-0.2 -0.043 48.5-163.4 -51.0 161.5 -0.3 16.9 29.7 99 99 A R - 0 0 61 7,-0.8 10,-0.1 1,-0.3 2,-0.1 -0.196 45.8 -9.6-123.3-143.4 1.4 20.2 30.2 100 100 A R - 0 0 125 8,-0.8 6,-2.3 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