==== 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 24-JUL-98 1LU1 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIGNA UNGUICULATA SUBSP. CYLINDRICA; . AUTHOR T.W.HAMELRYCK,R.LORIS,J.BOUCKAERT,G.STRECKER,A.IMBERTY, . 253 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 39.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 27 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 0 1 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 . 1 3 1 1 2 2 3 1 2 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 . 1 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 68 0, 0.0 2,-0.5 0, 0.0 234,-0.1 0.000 360.0 360.0 360.0 142.9 49.6 31.4 123.5 2 2 A N E -A 233 0A 108 231,-2.3 231,-2.5 232,-0.1 2,-0.4 -0.866 360.0-173.7-102.7 128.6 47.5 32.9 120.7 3 3 A I E +A 232 0A 115 -2,-0.5 2,-0.4 229,-0.2 229,-0.2 -0.962 11.9 175.5-127.7 140.3 44.2 34.5 121.5 4 4 A Q E +A 231 0A 70 227,-1.7 227,-2.5 -2,-0.4 2,-0.3 -0.997 16.2 153.7-139.6 133.5 41.5 35.9 119.3 5 5 A S E +A 230 0A 70 -2,-0.4 2,-0.3 225,-0.2 225,-0.2 -0.993 13.1 172.9-158.7 159.9 38.2 37.2 120.6 6 6 A F E -A 229 0A 16 223,-2.3 223,-2.5 -2,-0.3 2,-0.3 -0.972 12.3-160.0-163.6 157.2 35.3 39.6 119.9 7 7 A S E -A 228 0A 56 -2,-0.3 2,-0.5 221,-0.2 221,-0.3 -0.926 9.7-170.0-148.6 118.8 31.8 40.6 121.2 8 8 A F E +A 227 0A 39 219,-3.3 219,-2.3 -2,-0.3 3,-0.1 -0.950 22.5 164.5-117.7 121.5 29.2 42.4 119.2 9 9 A K S S+ 0 0 106 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.511 84.6 38.8-103.1 -11.0 26.0 43.8 120.7 10 10 A N S S- 0 0 93 217,-0.1 2,-0.3 18,-0.1 -1,-0.3 -0.984 83.5-138.6-141.8 125.3 25.6 45.9 117.5 11 11 A F + 0 0 0 16,-4.2 2,-0.3 -2,-0.4 16,-0.2 -0.648 21.7 171.5 -95.8 142.8 26.4 44.7 114.0 12 12 A N > - 0 0 98 -2,-0.3 3,-1.3 1,-0.1 4,-0.2 -0.901 36.4-125.6-149.7 113.2 28.1 46.5 111.1 13 13 A S G > S+ 0 0 62 -2,-0.3 3,-2.5 1,-0.2 5,-0.1 0.579 92.0 79.8 -25.1 -44.0 29.1 44.8 107.9 14 14 A P G 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.838 95.7 43.4 -41.4 -51.4 32.8 45.8 107.8 15 15 A S G < S+ 0 0 39 -3,-1.3 36,-2.4 35,-0.1 2,-0.3 0.430 110.9 69.9 -81.1 3.4 34.0 43.2 110.3 16 16 A F E < S-H 50 0B 13 -3,-2.5 2,-0.6 34,-0.2 34,-0.2 -0.886 70.3-135.2-125.5 154.0 31.9 40.4 108.7 17 17 A I E -H 49 0B 73 32,-3.0 32,-2.0 -2,-0.3 2,-0.4 -0.922 28.0-161.8-105.0 115.4 31.7 38.3 105.6 18 18 A L E +H 48 0B 61 -2,-0.6 2,-0.3 30,-0.2 30,-0.2 -0.858 11.1 178.5-105.4 133.9 28.2 38.1 104.3 19 19 A Q E > -H 47 0B 26 28,-2.4 28,-2.3 -2,-0.4 3,-1.3 -0.946 52.7 -6.9-129.4 149.3 26.9 35.5 101.8 20 20 A G E 3 S-H 46 0B 58 -2,-0.3 26,-0.3 26,-0.2 12,-0.1 -0.448 127.0 -20.7 69.9-139.4 23.5 34.8 100.3 21 21 A D T 3 S+ 0 0 54 24,-2.5 -1,-0.2 10,-0.2 25,-0.2 0.292 95.7 131.5 -88.5 9.1 20.7 36.9 101.8 22 22 A A < + 0 0 11 -3,-1.3 2,-0.3 23,-0.2 9,-0.2 -0.424 31.2 165.3 -65.1 132.7 22.5 37.7 105.0 23 23 A T E -B 30 0A 59 7,-2.5 7,-2.7 -2,-0.1 2,-0.6 -0.948 37.3-124.3-145.9 163.6 22.3 41.4 105.8 24 24 A V E +B 29 0A 29 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.951 38.0 161.8-115.2 115.1 22.9 43.9 108.6 25 25 A S E > -B 28 0A 41 3,-1.9 3,-1.6 -2,-0.6 -14,-0.1 -0.988 65.1 -2.4-139.3 130.4 19.9 46.1 109.4 26 26 A S T 3 S- 0 0 133 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.794 126.3 -65.2 65.1 25.7 19.1 48.2 112.5 27 27 A G T 3 S+ 0 0 12 1,-0.3 -16,-4.2 -16,-0.2 -1,-0.3 0.244 113.0 109.5 83.0 -14.5 22.3 46.8 113.9 28 28 A K E < S-B 25 0A 23 -3,-1.6 -3,-1.9 -18,-0.2 2,-0.7 -0.617 72.8-115.0 -96.4 157.7 21.1 43.2 114.0 29 29 A L E -BC 24 224A 0 195,-2.4 195,-3.4 -2,-0.2 2,-0.8 -0.831 26.8-166.2 -94.2 112.6 22.3 40.4 111.8 30 30 A Q E -BC 23 223A 42 -7,-2.7 -7,-2.5 -2,-0.7 193,-0.2 -0.870 5.9-175.9-101.6 103.1 19.5 39.1 109.6 31 31 A L + 0 0 0 191,-2.2 2,-0.3 -2,-0.8 -10,-0.2 0.858 64.2 42.7 -68.8 -38.4 20.6 35.8 108.1 32 32 A T S S- 0 0 1 190,-0.3 190,-0.2 1,-0.1 -9,-0.1 -0.739 93.4 -87.3-113.1 162.2 17.6 35.2 105.9 33 33 A K - 0 0 109 -2,-0.3 8,-1.7 8,-0.2 2,-0.3 -0.255 37.7-172.7 -63.7 147.6 15.4 37.3 103.6 34 34 A V B -O 40 0C 42 6,-0.2 5,-0.1 -4,-0.1 -4,-0.0 -0.974 23.3-122.7-145.1 125.3 12.5 39.3 104.9 35 35 A K > - 0 0 52 4,-2.9 3,-2.3 -2,-0.3 6,-0.0 -0.206 37.1-102.4 -62.2 159.8 9.9 41.2 102.8 36 36 A E T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.794 122.0 61.2 -55.1 -31.8 9.5 44.9 103.6 37 37 A N T 3 S- 0 0 113 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.434 122.8-105.0 -76.6 1.2 6.3 44.2 105.5 38 38 A G S < S+ 0 0 43 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 0.234 77.2 131.0 97.0 -14.4 8.3 42.0 107.9 39 39 A I - 0 0 76 -5,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.524 58.8-110.9 -79.6 141.5 7.3 38.6 106.7 40 40 A P B -O 34 0C 7 0, 0.0 -6,-0.2 0, 0.0 181,-0.1 -0.184 26.3-127.6 -63.9 159.3 10.0 35.9 106.0 41 41 A T > - 0 0 31 -8,-1.7 3,-0.6 179,-0.2 179,-0.2 -0.889 17.3-125.2-114.7 138.0 10.7 34.7 102.6 42 42 A P T 3 S+ 0 0 31 0, 0.0 172,-0.2 0, 0.0 171,-0.1 -0.274 88.9 28.6 -74.4 167.6 10.8 31.0 101.5 43 43 A S T 3 S+ 0 0 67 170,-3.1 2,-0.1 1,-0.2 171,-0.1 0.735 88.2 152.1 53.9 26.5 13.8 29.3 99.8 44 44 A S < - 0 0 1 -3,-0.6 168,-1.3 169,-0.2 58,-0.4 -0.454 23.9-178.3 -86.2 159.6 16.2 31.8 101.5 45 45 A L E + I 0 211B 27 166,-0.2 -24,-2.5 -2,-0.1 2,-0.3 -0.854 7.4 163.3-161.1 120.3 19.8 31.2 102.4 46 46 A G E -HI 20 210B 0 164,-2.1 164,-2.4 -26,-0.3 2,-0.3 -0.977 9.3-175.5-140.7 151.5 22.3 33.4 104.2 47 47 A R E -HI 19 209B 1 -28,-2.3 -28,-2.4 -2,-0.3 2,-0.3 -0.965 2.2-170.5-142.5 156.0 25.6 33.0 106.0 48 48 A A E -HI 18 208B 0 160,-2.1 160,-2.1 -2,-0.3 2,-0.3 -0.957 5.6-179.0-152.8 132.7 27.9 35.3 108.0 49 49 A F E -HI 17 207B 7 -32,-2.0 -32,-3.0 -2,-0.3 158,-0.2 -0.962 37.3 -98.1-134.2 151.8 31.4 34.9 109.3 50 50 A Y E -H 16 0B 48 156,-2.3 -34,-0.2 -2,-0.3 156,-0.2 -0.453 37.9-124.4 -64.9 135.7 34.0 36.9 111.3 51 51 A S S S+ 0 0 65 -36,-2.4 -1,-0.1 -2,-0.1 -35,-0.1 0.497 91.6 73.1 -61.9 -4.9 36.4 38.5 108.8 52 52 A S S S- 0 0 38 -37,-0.2 154,-0.4 154,-0.1 -2,-0.1 -0.944 82.5-127.9-116.5 129.3 39.4 36.9 110.6 53 53 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 152,-0.2 -0.429 20.6-139.7 -73.1 150.9 40.2 33.2 110.3 54 54 A I E -J 204 0B 0 150,-3.3 150,-2.6 -2,-0.1 2,-0.8 -0.940 7.6-132.4-115.6 130.1 40.7 31.3 113.5 55 55 A Q E -J 203 0B 20 -2,-0.5 148,-0.3 148,-0.2 147,-0.1 -0.707 19.1-175.3 -83.1 109.8 43.3 28.6 114.0 56 56 A I - 0 0 0 146,-2.2 9,-2.8 -2,-0.8 2,-0.3 0.747 67.7 -16.4 -74.6 -28.1 41.6 25.6 115.6 57 57 A Y E -P 64 0D 35 145,-1.0 2,-0.4 7,-0.2 7,-0.2 -0.976 58.2-122.1-166.8 170.5 44.9 23.7 116.0 58 58 A D E >> -P 63 0D 34 5,-2.0 4,-1.7 -2,-0.3 5,-0.7 -0.972 9.2-159.9-129.7 116.0 48.6 23.5 114.9 59 59 A K T 45S+ 0 0 79 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.849 91.2 56.2 -63.5 -34.7 49.9 20.3 113.3 60 60 A S T 45S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.951 118.9 27.7 -63.5 -51.0 53.5 21.2 114.0 61 61 A T T 45S- 0 0 63 2,-0.1 -1,-0.2 173,-0.1 -2,-0.2 0.561 97.5-127.8 -89.7 -11.0 53.1 21.7 117.8 62 62 A G T <5 + 0 0 43 -4,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.698 57.7 148.5 72.4 16.5 50.2 19.3 118.4 63 63 A A E < -P 58 0D 0 -5,-0.7 -5,-2.0 172,-0.2 2,-0.4 -0.685 31.4-161.0 -87.7 136.4 48.4 22.1 120.2 64 64 A V E -P 57 0D 31 173,-0.4 -7,-0.2 -2,-0.4 2,-0.2 -0.944 17.3-124.1-117.4 138.8 44.6 22.1 120.0 65 65 A A - 0 0 0 -9,-2.8 2,-0.5 -2,-0.4 168,-0.2 -0.490 9.1-146.5 -84.9 151.8 42.6 25.3 120.8 66 66 A S E +D 232 0A 3 166,-2.0 166,-2.1 174,-0.2 2,-0.3 -0.951 30.7 170.2-111.8 131.7 39.8 25.6 123.4 67 67 A W E -DE 231 168A 6 101,-1.3 101,-2.7 -2,-0.5 2,-0.3 -0.911 20.9-163.1-142.5 169.8 37.1 28.1 122.4 68 68 A A E -DE 230 167A 0 162,-2.2 162,-2.0 -2,-0.3 2,-0.3 -0.988 3.3-173.3-154.4 144.6 33.6 29.4 123.3 69 69 A T E -DE 229 166A 0 97,-2.4 97,-2.7 -2,-0.3 2,-0.3 -0.988 1.4-176.2-140.1 146.8 30.9 31.3 121.5 70 70 A S E +DE 228 165A 4 158,-1.8 158,-3.2 -2,-0.3 2,-0.3 -0.994 12.0 158.9-144.8 139.5 27.6 32.8 122.8 71 71 A F E -DE 227 164A 4 93,-1.5 93,-2.8 -2,-0.3 2,-0.5 -0.980 32.6-126.3-156.2 161.3 24.9 34.6 120.9 72 72 A T E -DE 226 163A 22 154,-1.8 153,-3.1 -2,-0.3 154,-0.8 -0.968 26.9-176.6-117.2 127.8 21.2 35.5 121.1 73 73 A V E -DE 224 162A 4 89,-2.0 89,-2.2 -2,-0.5 2,-0.5 -0.902 16.0-153.8-122.5 153.1 18.8 34.6 118.2 74 74 A K E -D 223 0A 68 149,-1.7 149,-1.6 -2,-0.3 2,-0.7 -0.959 10.8-168.2-127.8 108.6 15.1 35.4 117.7 75 75 A I + 0 0 5 85,-0.5 84,-2.2 -2,-0.5 2,-0.4 -0.881 12.0 178.4-103.2 110.8 13.3 32.9 115.5 76 76 A S - 0 0 32 -2,-0.7 145,-2.5 82,-0.2 82,-0.1 -0.922 13.9-164.7-118.2 137.1 9.8 34.1 114.5 77 77 A A - 0 0 10 -2,-0.4 143,-0.1 143,-0.2 6,-0.1 -0.957 33.2-105.3-118.2 131.1 7.2 32.5 112.3 78 78 A P > - 0 0 37 0, 0.0 3,-1.9 0, 0.0 141,-0.1 -0.110 48.0 -89.8 -51.0 154.9 4.2 34.4 110.8 79 79 A S T 3 S+ 0 0 134 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.838 119.8 21.6 -29.7 -73.4 0.9 33.6 112.5 80 80 A K T 3 S+ 0 0 108 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.209 103.1 104.2 -93.2 17.7 -0.4 30.7 110.4 81 81 A A < - 0 0 27 -3,-1.9 2,-0.2 -4,-0.0 137,-0.2 -0.691 65.2-121.4-101.4 156.3 2.9 29.4 108.9 82 82 A S B -q 218 0E 62 135,-2.6 137,-1.1 -2,-0.3 2,-0.2 -0.548 33.2 -99.5 -91.0 156.9 5.1 26.4 109.9 83 83 A F - 0 0 32 -2,-0.2 2,-0.2 135,-0.2 137,-0.2 -0.540 45.4-166.9 -79.3 141.5 8.7 26.6 111.0 84 84 A A - 0 0 0 -2,-0.2 129,-0.7 129,-0.1 2,-0.1 -0.813 36.3 -23.1 177.1 143.1 11.6 25.9 108.6 85 85 A D E -K 212 0B 5 127,-0.4 41,-1.0 -2,-0.2 42,-0.7 -0.945 66.0-130.5-114.2 -21.2 14.4 25.3 108.3 86 86 A G E -KL 211 125B 0 125,-1.2 125,-1.8 39,-0.2 2,-0.3 -0.689 10.9-103.3 136.0 172.1 16.8 26.3 111.0 87 87 A I E -KL 210 124B 2 37,-1.4 37,-2.7 123,-0.2 2,-0.3 -0.915 27.1-163.7-131.0 156.5 20.0 28.1 111.8 88 88 A A E -KL 209 123B 1 121,-2.1 121,-1.6 -2,-0.3 2,-0.5 -0.998 19.8-137.6-147.0 140.6 23.5 26.7 112.6 89 89 A F E -KL 208 122B 2 33,-2.4 33,-2.3 -2,-0.3 2,-0.3 -0.828 42.5-175.6 -90.9 132.4 26.7 28.0 114.1 90 90 A A E -KL 207 121B 0 117,-3.2 117,-1.7 -2,-0.5 2,-0.6 -0.959 37.1-148.1-140.7 155.5 29.5 26.5 112.1 91 91 A L E +KL 206 120B 6 29,-3.1 29,-1.7 -2,-0.3 115,-0.2 -0.980 37.4 170.6-112.8 117.5 33.2 26.2 111.6 92 92 A V E -K 205 0B 2 113,-2.1 113,-2.4 -2,-0.6 27,-0.1 -0.871 41.3 -80.0-128.8 164.0 34.0 26.0 107.9 93 93 A P E > -K 204 0B 38 0, 0.0 3,-1.4 0, 0.0 111,-0.2 -0.338 51.8-109.3 -59.3 140.0 37.1 26.1 105.6 94 94 A V T 3 S+ 0 0 77 109,-0.6 110,-0.1 1,-0.3 -2,-0.0 0.799 115.0 37.8 -43.2 -46.0 38.3 29.6 105.1 95 95 A G T 3 S+ 0 0 64 2,-0.0 -1,-0.3 110,-0.0 109,-0.0 0.681 87.7 145.7 -83.8 -15.0 37.3 30.0 101.5 96 96 A S < - 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