==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 15-NOV-00 1G7Y . COMPND 2 MOLECULE: STEM/LEAF LECTIN DB58; . SOURCE 2 ORGANISM_SCIENTIFIC: VIGNA UNGUICULATA SUBSP. CYLINDRICA; . AUTHOR L.BUTS,T.W.HAMELRYCK,R.LORIS,M.-H.DAO-THI,L.WYNS,M.E.ETZLER . 1496 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1091 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 628 42.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 180 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 6 0 2 0 4 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 . 1 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 . 12 12 6 9 14 12 12 17 7 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 . 3 0 0 0 0 0 8 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 60 0, 0.0 2,-0.3 0, 0.0 234,-0.1 0.000 360.0 360.0 360.0 136.3 16.8 33.7 28.5 2 2 A D E -A 233 0A 20 231,-2.5 231,-3.6 232,-0.2 2,-0.3 -0.686 360.0-173.6 -89.9 142.4 15.1 31.0 30.6 3 3 A I E -AB 232 260A 35 257,-1.3 257,-1.6 -2,-0.3 2,-0.3 -0.974 11.1-178.3-136.7 150.6 14.3 31.7 34.2 4 4 A Q E +AB 231 259A 20 227,-1.8 227,-3.0 -2,-0.3 2,-0.3 -0.991 11.5 158.9-147.0 142.5 13.0 29.7 37.1 5 5 A S E +AB 230 258A 16 253,-1.7 253,-1.8 -2,-0.3 2,-0.3 -0.990 9.8 175.1-160.0 156.7 12.2 30.7 40.7 6 6 A F E -AB 229 257A 4 223,-2.1 223,-2.4 -2,-0.3 2,-0.3 -0.968 10.4-159.9-158.1 158.9 10.2 29.7 43.7 7 7 A S E -AB 228 256A 14 249,-1.8 249,-1.5 -2,-0.3 2,-0.6 -0.933 3.4-169.8-148.4 121.5 9.8 30.9 47.3 8 8 A F E -A 227 0A 4 219,-3.0 219,-2.3 -2,-0.3 247,-0.1 -0.950 12.4-178.4-118.3 114.9 8.4 28.8 50.2 9 9 A K S S+ 0 0 65 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.630 84.7 1.0 -79.7 -15.8 7.7 30.6 53.5 10 10 A N S S- 0 0 61 217,-0.1 3,-0.3 -3,-0.1 -1,-0.3 -0.956 80.9-111.1-164.7 155.4 6.7 27.2 54.8 11 11 A F + 0 0 1 16,-1.5 3,-0.1 -2,-0.3 -3,-0.0 -0.656 63.5 107.4 -97.5 152.7 6.5 23.7 53.5 12 12 A N + 0 0 70 1,-0.3 -1,-0.2 -2,-0.3 4,-0.1 -0.024 49.7 107.0 176.3 -45.1 3.4 21.7 52.8 13 13 A S S S- 0 0 14 -3,-0.3 -1,-0.3 1,-0.1 3,-0.3 0.016 74.0-121.7 -52.6 158.6 3.1 21.5 49.0 14 14 A S S S+ 0 0 80 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.159 87.8 103.9 -95.8 36.8 3.8 18.3 47.1 15 15 A S + 0 0 14 290,-0.1 36,-2.7 2,-0.0 2,-0.4 0.078 66.7 86.7-102.1 20.8 6.5 20.1 45.1 16 16 A F E -P 50 0B 22 -3,-0.3 2,-0.5 34,-0.2 34,-0.2 -0.962 66.7-148.0-125.5 139.1 9.0 18.3 47.2 17 17 A I E -P 49 0B 68 32,-3.0 32,-2.2 -2,-0.4 2,-0.4 -0.922 20.2-159.6-103.7 125.4 10.6 14.8 46.9 18 18 A L E +P 48 0B 75 -2,-0.5 2,-0.3 30,-0.2 30,-0.2 -0.905 11.4 179.4-110.9 133.8 11.4 13.3 50.2 19 19 A Q E > -P 47 0B 31 28,-2.9 28,-1.9 -2,-0.4 3,-1.8 -0.920 52.5 -8.9-128.0 155.9 13.9 10.5 50.7 20 20 A G E 3 S-P 46 0B 61 -2,-0.3 26,-0.3 1,-0.2 12,-0.1 -0.333 128.6 -18.5 62.1-135.4 15.1 8.6 53.8 21 21 A D T 3 S+ 0 0 68 24,-3.0 -1,-0.2 10,-0.2 25,-0.2 0.410 95.7 135.0 -85.6 1.3 13.8 10.0 57.1 22 22 A A < + 0 0 11 -3,-1.8 2,-0.3 23,-0.3 9,-0.2 -0.244 29.7 166.7 -53.9 133.9 13.0 13.4 55.5 23 23 A T E -C 30 0A 67 7,-2.3 7,-3.2 9,-0.1 2,-0.5 -0.978 33.9-132.8-149.5 159.8 9.6 14.6 56.7 24 24 A V E +C 29 0A 49 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.970 38.3 145.5-117.4 127.4 7.3 17.7 56.8 25 25 A S E > +C 28 0A 47 3,-2.0 3,-1.7 -2,-0.5 -14,-0.1 -0.972 63.2 18.8-159.1 146.3 5.6 18.7 60.0 26 26 A S T 3 S- 0 0 106 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.842 128.3 -71.3 58.6 29.9 4.6 21.9 61.8 27 27 A S T 3 S+ 0 0 65 1,-0.2 -16,-1.5 -17,-0.1 2,-0.3 0.760 112.7 109.6 55.7 30.6 5.0 23.2 58.2 28 28 A K E < S-C 25 0A 31 -3,-1.7 -3,-2.0 -18,-0.2 2,-0.7 -0.927 73.5-112.9-129.9 156.0 8.8 22.9 58.4 29 29 A L E -CD 24 224A 0 195,-2.6 195,-2.8 -2,-0.3 2,-0.7 -0.817 27.7-168.5 -92.6 115.1 11.2 20.5 56.7 30 30 A R E -CD 23 223A 53 -7,-3.2 -7,-2.3 -2,-0.7 193,-0.2 -0.890 5.1-176.5-106.5 105.5 12.8 18.0 59.1 31 31 A L + 0 0 0 191,-2.4 2,-0.3 -2,-0.7 -10,-0.2 0.865 66.9 44.1 -70.5 -40.0 15.6 16.2 57.3 32 32 A T S S- 0 0 1 190,-0.3 190,-0.3 12,-0.1 -9,-0.1 -0.860 96.8 -92.8-110.9 147.4 16.7 13.8 60.1 33 33 A K - 0 0 29 -2,-0.3 8,-1.5 188,-0.1 2,-0.4 -0.169 34.6-160.6 -59.8 141.4 14.3 11.8 62.4 34 34 A V B -W 40 0C 42 6,-0.2 2,-0.1 -4,-0.1 -1,-0.0 -0.960 16.2-123.7-125.2 140.9 13.1 13.1 65.8 35 35 A K > - 0 0 40 4,-3.4 3,-4.1 -2,-0.4 4,-0.3 -0.424 37.2 -98.5 -79.2 156.6 11.7 11.0 68.7 36 36 A G T 3 S+ 0 0 93 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.838 126.4 57.4 -41.2 -42.6 8.2 11.8 70.2 37 37 A N T 3 S- 0 0 114 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.462 124.4-106.2 -71.0 -0.7 9.9 13.8 73.0 38 38 A G S < S+ 0 0 35 -3,-4.1 -2,-0.2 1,-0.3 -1,-0.1 0.665 74.8 136.5 85.1 17.4 11.5 15.9 70.3 39 39 A L - 0 0 76 -4,-0.3 -4,-3.4 1,-0.1 -1,-0.3 -0.783 56.1-103.5-103.2 145.2 15.1 14.5 70.5 40 40 A P B -W 34 0C 19 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.151 31.7-133.7 -60.4 154.6 17.3 13.6 67.6 41 41 A T - 0 0 54 -8,-1.5 3,-0.4 179,-0.2 179,-0.3 -0.615 15.3-113.4-107.8 164.6 17.9 10.0 66.4 42 42 A L S S+ 0 0 67 1,-0.2 172,-0.2 -2,-0.2 177,-0.1 -0.653 92.5 18.2 -97.3 158.0 21.1 8.2 65.5 43 43 A S S S+ 0 0 65 170,-2.7 2,-0.3 -2,-0.2 -1,-0.2 0.816 86.1 158.2 54.4 35.1 22.0 6.9 62.0 44 44 A S + 0 0 0 -3,-0.4 168,-1.6 169,-0.2 58,-0.4 -0.639 18.4 178.4 -91.5 148.4 19.4 9.2 60.4 45 45 A L E + Q 0 211B 25 -2,-0.3 -24,-3.0 166,-0.2 2,-0.3 -0.942 5.9 166.7-150.0 124.1 19.6 10.2 56.8 46 46 A G E -PQ 20 210B 0 164,-2.2 164,-2.3 -2,-0.3 2,-0.3 -0.998 9.4-176.8-142.7 144.7 17.1 12.4 55.0 47 47 A R E -PQ 19 209B 0 -28,-1.9 -28,-2.9 -2,-0.3 2,-0.3 -0.974 2.4-172.2-138.9 151.4 17.0 14.3 51.7 48 48 A A E -PQ 18 208B 0 160,-2.2 160,-2.7 -2,-0.3 2,-0.3 -0.974 7.6-176.4-147.3 130.0 14.5 16.6 50.1 49 49 A F E -PQ 17 207B 6 -32,-2.2 -32,-3.0 -2,-0.3 158,-0.2 -0.921 36.4-101.2-129.1 153.1 14.5 18.0 46.6 50 50 A Y E -P 16 0B 13 156,-2.4 -34,-0.2 -2,-0.3 156,-0.2 -0.540 37.5-129.2 -67.4 136.6 12.4 20.4 44.5 51 51 A S S S+ 0 0 40 -36,-2.7 -1,-0.1 -2,-0.2 -35,-0.1 0.673 88.0 72.6 -66.2 -16.8 10.2 18.2 42.4 52 52 A S S S- 0 0 0 -37,-0.3 154,-0.3 154,-0.1 -2,-0.1 -0.868 84.9-122.5-106.1 129.6 11.1 20.0 39.2 53 53 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 152,-0.2 -0.351 21.6-139.7 -66.2 145.5 14.6 19.7 37.6 54 54 A I E -R 204 0B 1 150,-2.9 150,-2.4 -4,-0.1 2,-0.8 -0.898 9.0-132.2-110.7 136.1 16.7 22.8 37.1 55 55 A Q E -R 203 0B 15 -2,-0.4 148,-0.2 148,-0.2 147,-0.1 -0.802 22.3-177.7 -89.6 112.8 18.7 23.4 33.9 56 56 A I - 0 0 0 146,-2.2 9,-2.5 -2,-0.8 2,-0.3 0.759 65.7 -11.7 -80.0 -31.5 22.2 24.5 35.1 57 57 A Y B -X 64 0D 31 145,-0.9 2,-0.6 7,-0.2 7,-0.2 -0.965 63.8-115.3-160.5 169.2 23.7 25.0 31.6 58 58 A D >> - 0 0 26 5,-2.7 4,-1.7 -2,-0.3 3,-0.6 -0.947 15.1-161.0-119.7 111.1 22.9 24.3 27.9 59 59 A K T 34 S+ 0 0 70 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.869 90.5 49.1 -57.1 -40.8 25.4 22.0 26.2 60 60 A S T 34 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.737 120.4 33.0 -74.9 -24.6 24.4 23.1 22.7 61 61 A T T <4 S- 0 0 61 -3,-0.6 176,-0.3 2,-0.1 -1,-0.2 0.491 97.8-127.5-109.1 -5.5 24.6 26.9 23.3 62 62 A G < + 0 0 49 -4,-1.7 -3,-0.1 1,-0.2 2,-0.1 0.497 57.6 149.9 72.5 2.4 27.5 26.9 25.8 63 63 A A - 0 0 1 -5,-0.5 -5,-2.7 172,-0.1 2,-0.4 -0.436 30.9-160.6 -71.4 139.7 25.3 29.0 28.1 64 64 A V B -X 57 0D 33 172,-0.3 -7,-0.2 -7,-0.2 106,-0.1 -0.989 15.3-128.1-125.2 127.7 25.8 28.7 31.8 65 65 A A - 0 0 0 -9,-2.5 2,-0.4 -2,-0.4 168,-0.2 -0.308 8.0-145.1 -75.4 154.5 23.2 29.7 34.3 66 66 A S E +E 232 0A 1 166,-1.9 166,-2.3 103,-0.1 2,-0.3 -0.933 30.3 168.7-113.8 139.8 23.6 32.0 37.3 67 67 A W E -EF 231 168A 2 101,-1.3 101,-2.8 -2,-0.4 2,-0.3 -0.945 22.1-161.8-148.6 170.4 21.5 31.2 40.4 68 68 A A E -EF 230 167A 0 162,-2.1 162,-2.2 -2,-0.3 2,-0.3 -0.988 5.7-171.9-153.2 146.8 21.0 32.0 44.0 69 69 A T E -EF 229 166A 0 97,-2.7 97,-2.8 -2,-0.3 2,-0.4 -0.993 0.4-173.1-142.5 147.7 19.3 30.2 46.9 70 70 A S E +EF 228 165A 8 158,-2.0 158,-3.1 -2,-0.3 2,-0.3 -0.997 11.1 161.1-141.2 144.2 18.5 31.2 50.4 71 71 A F E -EF 227 164A 3 93,-1.6 93,-2.8 -2,-0.4 2,-0.5 -0.981 33.2-126.1-156.9 158.9 17.0 29.2 53.3 72 72 A T E -EF 226 163A 20 154,-1.4 153,-3.4 -2,-0.3 154,-0.9 -0.963 30.9-175.4-112.6 125.5 16.7 29.4 57.0 73 73 A A E -EF 224 162A 1 89,-2.6 89,-3.0 -2,-0.5 2,-0.4 -0.859 14.4-157.0-120.2 154.8 17.9 26.3 58.9 74 74 A N E -EF 223 161A 28 149,-2.8 149,-2.5 -2,-0.3 2,-0.5 -0.975 8.3-172.8-135.5 119.1 17.9 25.4 62.6 75 75 A I - 0 0 9 85,-0.5 84,-2.9 -2,-0.4 2,-0.5 -0.961 3.5-176.4-115.5 117.2 20.3 22.9 64.0 76 76 A F - 0 0 79 -2,-0.5 145,-2.3 145,-0.3 3,-0.1 -0.947 6.3-172.9-120.8 114.8 19.8 21.8 67.6 77 77 A A - 0 0 0 -2,-0.5 3,-0.3 143,-0.3 143,-0.2 -0.918 18.5-149.8-105.6 113.8 22.3 19.4 69.2 78 78 A P S S+ 0 0 65 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.883 100.4 35.1 -47.3 -41.3 21.1 18.3 72.7 79 79 A N S > S- 0 0 88 140,-0.4 3,-2.6 138,-0.3 4,-0.2 -0.898 81.8-159.5-117.2 98.3 24.8 18.0 73.5 80 80 A K G > S+ 0 0 47 -2,-0.6 3,-1.9 -3,-0.3 -1,-0.2 0.864 90.8 50.6 -44.3 -51.7 26.6 20.8 71.7 81 81 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -4,-0.1 137,-0.0 0.558 109.7 54.0 -69.2 -3.5 30.1 19.2 71.8 82 82 A S G < S+ 0 0 9 -3,-2.6 -1,-0.3 135,-0.1 137,-0.2 0.280 78.6 143.9-111.1 8.1 28.5 16.0 70.5 83 83 A S < - 0 0 4 -3,-1.9 2,-0.3 -4,-0.2 137,-0.2 -0.194 33.9-149.2 -54.0 132.3 26.9 17.6 67.4 84 84 A A - 0 0 1 133,-0.1 129,-0.4 43,-0.1 2,-0.2 -0.965 32.9 -29.4-164.9 149.1 26.9 15.5 64.2 85 85 A D - 0 0 2 127,-0.3 41,-1.2 -2,-0.3 42,-0.9 -0.923 66.3-134.9-111.5 -27.2 27.0 15.4 61.1 86 86 A G E -ST 125 211B 0 125,-1.3 125,-1.6 39,-0.2 2,-0.3 -0.783 12.8 -89.4 136.8 178.5 25.5 18.3 59.3 87 87 A I E -ST 124 210B 0 37,-1.4 37,-2.2 -2,-0.2 2,-0.4 -0.945 31.2-162.8-130.0 149.6 23.3 19.5 56.5 88 88 A A E -ST 123 209B 0 121,-2.6 121,-1.8 -2,-0.3 2,-0.5 -0.994 19.1-139.2-138.5 143.2 24.1 20.2 52.9 89 89 A F E -ST 122 208B 0 33,-2.5 33,-2.5 -2,-0.4 2,-0.3 -0.873 41.6-172.0 -93.7 129.1 22.6 22.1 50.0 90 90 A A E -ST 121 207B 0 117,-3.1 117,-1.7 -2,-0.5 2,-0.5 -0.942 36.2-154.6-135.8 154.1 23.1 20.0 47.0 91 91 A L E +ST 120 206B 3 29,-2.5 29,-1.7 -2,-0.3 115,-0.2 -0.982 37.8 167.4-117.6 113.4 22.8 19.8 43.2 92 92 A V E - T 0 205B 1 113,-2.6 113,-2.9 -2,-0.5 27,-0.1 -0.829 43.3 -76.7-128.6 165.9 22.5 16.1 42.2 93 93 A P E > - T 0 204B 40 0, 0.0 3,-2.0 0, 0.0 111,-0.2 -0.344 55.8-107.8 -59.2 139.2 21.7 14.0 39.1 94 94 A V T 3 S+ 0 0 73 109,-0.6 110,-0.1 1,-0.3 -2,-0.1 0.815 114.0 32.9 -41.0 -56.2 17.9 14.0 38.6 95 95 A G T 3 S+ 0 0 67 2,-0.0 -1,-0.3 110,-0.0 109,-0.0 0.477 88.7 154.5 -85.7 3.3 17.0 10.4 39.7 96 96 A S < - 0 0 19 -3,-2.0 3,-0.1 1,-0.1 -4,-0.1 0.171 30.5-151.3 -32.7 134.3 19.8 10.3 42.3 97 97 A E - 0 0 137 1,-0.1 -1,-0.1 10,-0.0 -2,-0.0 -0.753 36.5 -76.6-107.7 156.9 19.4 8.0 45.3 98 98 A P - 0 0 43 0, 0.0 9,-0.2 0, 0.0 -1,-0.1 -0.105 47.7-155.6 -52.8 150.2 20.9 8.6 48.8 99 99 A K - 0 0 62 7,-1.7 10,-0.1 1,-0.3 8,-0.1 -0.136 45.6 -26.3-107.7-153.9 24.6 7.9 49.2 100 100 A S - 0 0 37 8,-0.8 6,-1.7 1,-0.1 8,-0.3 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