==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 10-JUN-93 2LAL . COMPND 2 MOLECULE: LENTIL LECTIN (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: LENS CULINARIS; . AUTHOR R.LORIS,J.STEYAERT,D.MAES,J.LISGARTEN,R.PICKERSGILL,L.WYNS . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 72.1 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 . 218 47.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 47 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 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 . 5 3 4 2 4 4 6 5 0 0 2 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 1 1 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 T 0 0 76 0, 0.0 238,-2.9 0, 0.0 239,-0.5 0.000 360.0 360.0 360.0 118.3 40.6 59.0 44.1 2 2 A E E +AB 228 238A 19 226,-2.2 226,-2.3 236,-0.2 2,-0.3 -0.985 360.0 175.3-112.0 135.4 38.5 57.4 46.8 3 3 A T E -AB 227 237A 40 234,-2.5 234,-1.3 -2,-0.4 2,-0.3 -0.885 6.9-173.1-128.0 169.0 39.8 55.3 49.6 4 4 A T E +AB 226 236A 9 222,-2.0 222,-2.5 -2,-0.3 2,-0.3 -0.947 7.4 172.3-151.4 144.0 38.2 53.7 52.6 5 5 A S E +AB 225 235A 29 230,-2.9 230,-1.9 -2,-0.3 2,-0.3 -0.968 1.7 166.4-155.6 144.3 39.8 51.8 55.5 6 6 A F E -AB 224 234A 3 218,-2.3 218,-2.9 -2,-0.3 2,-0.3 -0.976 13.1-165.0-162.1 157.3 38.7 50.4 58.9 7 7 A S E -AB 223 233A 30 226,-1.7 226,-2.8 -2,-0.3 2,-0.4 -0.939 4.1-178.5-148.8 122.2 39.8 48.1 61.6 8 8 A I E +AB 222 232A 2 214,-2.1 214,-2.4 -2,-0.3 224,-0.2 -0.984 9.6 167.5-122.1 116.7 37.8 46.5 64.5 9 9 A T S S+ 0 0 62 222,-2.7 2,-0.3 -2,-0.4 223,-0.1 0.511 76.2 26.1-109.5 -2.1 39.7 44.3 66.9 10 10 A K S S- 0 0 124 221,-0.6 2,-0.4 212,-0.1 -1,-0.4 -0.860 78.9-133.3-159.0 123.5 36.8 44.1 69.5 11 11 A F B -P 29 0B 6 18,-1.4 18,-0.6 -2,-0.3 19,-0.1 -0.718 17.6-138.6 -88.5 125.3 33.0 44.3 68.8 12 12 A S > - 0 0 17 -2,-0.4 3,-0.8 1,-0.1 14,-0.1 -0.505 23.6-117.0 -74.3 143.8 30.9 46.5 71.1 13 13 A P T 3 S+ 0 0 86 0, 0.0 2,-0.7 0, 0.0 13,-0.3 0.886 119.3 44.6 -43.5 -38.7 27.4 45.5 72.2 14 14 A D T 3 S+ 0 0 88 3,-0.0 2,-1.6 1,-0.0 -2,-0.1 -0.569 72.0 171.1-113.0 75.9 26.4 48.5 70.2 15 15 A Q X + 0 0 5 -3,-0.8 3,-1.3 -2,-0.7 -4,-0.0 -0.664 5.5 179.0 -83.0 90.9 28.3 48.3 67.0 16 16 A Q T 3 S+ 0 0 71 -2,-1.6 -1,-0.2 1,-0.3 264,-0.0 0.556 71.6 63.6 -72.3 -14.3 26.5 51.1 65.2 17 17 A N T 3 S+ 0 0 2 261,-0.1 30,-2.2 -3,-0.1 2,-0.3 0.128 94.5 75.5 -96.7 20.6 28.6 50.8 62.0 18 18 A L E < -Q 46 0C 12 -3,-1.3 2,-0.5 28,-0.2 28,-0.2 -0.943 69.4-143.4-117.4 151.0 27.4 47.3 61.2 19 19 A I E -Q 45 0C 52 26,-2.4 26,-2.7 -2,-0.3 2,-0.3 -0.958 20.0-155.4-105.7 121.8 24.0 46.1 59.9 20 20 A F E +Q 44 0C 69 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.801 14.7 176.6-102.4 148.2 22.8 42.8 61.4 21 21 A Q E > -Q 43 0C 28 22,-2.0 22,-2.0 -2,-0.3 3,-1.9 -0.953 56.6 -2.4-147.7 145.1 20.4 40.4 59.7 22 22 A G E 3 S-Q 42 0C 54 -2,-0.3 20,-0.3 1,-0.2 12,-0.1 -0.404 133.1 -22.2 66.3-139.1 19.1 37.0 60.9 23 23 A D T 3 S+ 0 0 70 18,-2.8 -1,-0.2 10,-0.4 19,-0.2 0.265 97.3 140.0 -88.3 1.2 20.7 35.9 64.2 24 24 A G < + 0 0 8 -3,-1.9 2,-0.3 19,-0.3 9,-0.2 -0.185 23.0 136.5 -40.5 123.4 23.7 38.3 63.6 25 25 A Y E -C 32 0A 86 7,-2.5 7,-3.0 2,-0.1 2,-0.4 -0.999 49.6-110.8-160.7 173.6 24.7 40.0 66.9 26 26 A T E +C 31 0A 19 -2,-0.3 2,-0.3 -13,-0.3 5,-0.2 -0.940 36.1 159.5-108.4 138.5 27.7 41.1 69.1 27 27 A T E > -C 30 0A 40 3,-2.0 3,-1.1 -2,-0.4 -16,-0.1 -0.915 63.8 -1.7-155.6 119.5 28.4 39.5 72.5 28 28 A K T 3 S- 0 0 153 -2,-0.3 3,-0.1 1,-0.3 -16,-0.1 0.690 127.2 -49.6 75.5 29.9 31.7 39.5 74.4 29 29 A G B 3 S+P 11 0B 11 -18,-0.6 -18,-1.4 1,-0.3 2,-0.3 0.492 120.5 100.0 95.8 -10.8 34.0 41.4 72.1 30 30 A K E < S-C 27 0A 53 -3,-1.1 -3,-2.0 -20,-0.2 2,-0.6 -0.858 71.7-127.4-125.9 158.8 32.9 39.1 69.3 31 31 A L E -CD 26 219A 0 188,-2.6 188,-2.7 -2,-0.3 2,-0.5 -0.855 26.1-162.6 -97.2 113.0 30.6 39.0 66.3 32 32 A T E +CD 25 218A 3 -7,-3.0 -7,-2.5 -2,-0.6 186,-0.2 -0.895 16.9 174.3 -97.7 121.6 28.3 35.9 66.5 33 33 A L E S- 0 0 0 184,-3.2 -10,-0.4 -2,-0.5 2,-0.3 0.864 74.8 -1.7 -95.4 -40.2 26.6 35.0 63.1 34 34 A T E - D 0 217A 0 183,-1.1 183,-1.8 175,-0.1 -1,-0.4 -0.997 62.2-143.7-135.0 147.6 25.1 31.7 64.4 35 35 A K - 0 0 100 -2,-0.3 2,-1.5 181,-0.2 180,-0.5 -0.459 54.4 -78.5 -86.2-177.3 25.1 29.9 67.7 36 36 A A S S+ 0 0 52 -2,-0.1 2,-0.3 178,-0.1 180,-0.2 -0.664 90.1 121.4 -83.4 75.6 25.2 26.1 67.5 37 37 A V - 0 0 64 -2,-1.5 178,-0.4 178,-0.3 3,-0.3 -0.865 65.1 -95.3-134.2 148.5 21.4 25.7 66.8 38 38 A K S S+ 0 0 128 -2,-0.3 174,-0.2 1,-0.2 176,-0.1 -0.444 91.3 1.2 -69.9 148.8 19.6 24.0 63.8 39 39 A S S S+ 0 0 102 172,-1.9 2,-0.3 174,-0.3 -1,-0.2 0.878 90.6 132.1 51.3 59.3 18.4 25.7 60.7 40 40 A T - 0 0 21 -3,-0.3 170,-1.8 170,-0.2 58,-0.3 -0.902 38.0-154.0-136.5 163.8 19.4 29.3 61.4 41 41 A V E - R 0 209C 36 -2,-0.3 -18,-2.8 168,-0.2 2,-0.3 -0.991 8.3-178.4-137.7 142.5 21.2 32.2 59.5 42 42 A G E +QR 22 208C 0 166,-2.0 166,-2.5 -2,-0.3 2,-0.3 -0.981 5.2 173.9-137.6 139.0 23.2 35.3 60.6 43 43 A R E -QR 21 207C 1 -22,-2.0 -22,-2.0 -2,-0.3 2,-0.3 -0.930 10.0-168.3-133.6 157.1 24.7 38.0 58.4 44 44 A A E -QR 20 206C 0 162,-1.5 162,-1.7 -2,-0.3 2,-0.4 -0.948 8.8-167.3-142.8 125.0 26.5 41.3 59.3 45 45 A L E -QR 19 205C 2 -26,-2.7 -26,-2.4 -2,-0.3 160,-0.2 -0.882 29.3-111.8-112.1 145.2 27.3 43.9 56.7 46 46 A Y E -Q 18 0C 2 158,-2.4 -28,-0.2 -2,-0.4 158,-0.1 -0.549 32.8-132.8 -66.2 136.9 29.6 46.9 57.1 47 47 A S S S+ 0 0 16 -30,-2.2 -1,-0.1 -2,-0.2 -29,-0.1 0.868 78.0 80.3 -72.1 -32.8 27.3 49.8 57.0 48 48 A T S S- 0 0 1 -31,-0.3 156,-0.3 1,-0.0 2,-0.1 -0.623 80.1-122.6 -78.7 137.6 29.0 52.1 54.4 49 49 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 154,-0.2 -0.527 26.9-139.9 -69.9 138.6 28.6 51.4 50.7 50 50 A I E -S 202 0C 5 152,-2.9 152,-1.9 -2,-0.1 2,-0.9 -0.823 8.1-130.6-100.1 135.4 32.0 50.9 49.0 51 51 A H E +S 201 0C 9 -2,-0.4 150,-0.2 150,-0.2 3,-0.1 -0.811 35.6 168.2 -85.5 103.5 32.8 52.3 45.6 52 52 A I + 0 0 2 148,-1.9 9,-2.9 -2,-0.9 2,-0.3 0.783 61.7 4.1 -95.0 -30.5 34.3 49.2 43.9 53 53 A W E -X 60 0D 26 147,-1.1 2,-0.5 7,-0.2 7,-0.2 -0.960 65.2-131.9-144.9 164.4 34.4 50.4 40.2 54 54 A D E >>> -X 59 0D 13 5,-2.2 4,-3.6 -2,-0.3 3,-0.6 -0.951 0.9-157.8-122.6 113.7 33.6 53.6 38.3 55 55 A R T 345S+ 0 0 175 -2,-0.5 -1,-0.1 1,-0.2 140,-0.0 0.662 96.1 54.8 -50.6 -34.8 31.4 53.5 35.1 56 56 A D T 345S+ 0 0 141 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.805 124.2 18.6 -68.7 -50.7 33.0 56.9 34.1 57 57 A T T <45S- 0 0 80 -3,-0.6 -2,-0.2 2,-0.1 3,-0.1 0.796 91.6-131.9 -94.6 -27.3 36.7 55.9 34.2 58 58 A G T <5 + 0 0 35 -4,-3.6 -3,-0.2 1,-0.3 137,-0.1 0.371 56.9 149.8 66.1 12.7 36.3 52.1 34.1 59 59 A N E < -X 54 0D 71 -5,-0.5 -5,-2.2 -6,-0.1 2,-0.4 -0.368 33.7-155.4 -63.9 147.5 38.6 52.0 37.0 60 60 A V E -X 53 0D 21 -7,-0.2 169,-0.4 -3,-0.1 -7,-0.2 -0.971 19.2-111.2-122.7 148.7 38.2 49.2 39.4 61 61 A A - 0 0 0 -9,-2.9 2,-0.4 -2,-0.4 167,-0.3 -0.408 14.2-138.5 -73.9 140.1 39.3 49.3 43.1 62 62 A N E +E 227 0A 57 165,-2.2 165,-1.9 105,-0.1 2,-0.3 -0.835 35.7 173.6 -79.4 145.7 42.1 47.3 44.7 63 63 A F E -EF 226 166A 6 103,-1.7 103,-2.6 -2,-0.4 2,-0.3 -0.986 23.1-168.7-149.8 155.5 41.1 46.0 48.1 64 64 A V E -EF 225 165A 59 161,-1.8 161,-1.6 -2,-0.3 2,-0.4 -0.987 6.8-176.2-139.2 133.8 42.2 43.7 50.9 65 65 A T E -EF 224 164A 0 99,-2.7 99,-2.2 -2,-0.3 2,-0.3 -0.954 2.0-173.3-120.1 143.2 40.3 42.4 53.9 66 66 A S E +EF 223 163A 45 157,-2.3 157,-3.0 -2,-0.4 2,-0.3 -0.996 11.4 158.6-133.7 152.9 41.5 40.3 56.8 67 67 A F E -EF 222 162A 5 95,-1.6 95,-3.0 -2,-0.3 2,-0.4 -0.973 32.1-129.3-158.8 159.6 39.7 38.7 59.7 68 68 A T E +EF 221 161A 12 153,-1.3 152,-2.4 -2,-0.3 153,-0.9 -0.959 31.8 171.8-112.6 134.1 39.8 36.0 62.3 69 69 A F E -EF 219 160A 2 91,-1.6 91,-2.3 -2,-0.4 2,-0.4 -0.890 18.2-152.0-137.9 162.9 37.0 33.5 62.7 70 70 A V E -EF 218 159A 12 148,-2.2 148,-2.0 -2,-0.3 2,-0.5 -0.998 3.5-156.8-131.7 136.8 36.2 30.4 64.6 71 71 A I E -E 217 0A 4 87,-0.6 86,-3.2 -2,-0.4 2,-0.5 -0.975 12.7-172.9-110.5 126.9 33.9 27.5 63.8 72 72 A D E +E 216 0A 86 144,-2.2 144,-2.1 -2,-0.5 84,-0.1 -0.901 12.4 169.3-124.9 93.5 32.8 25.6 67.0 73 73 A A - 0 0 7 -2,-0.5 142,-0.2 142,-0.2 6,-0.2 -0.655 47.1-111.8-110.0 162.0 30.8 22.5 66.1 74 74 A P S S- 0 0 79 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.858 93.7 -19.7 -72.6 -31.1 29.8 19.6 68.5 75 75 A S B > S-Y 78 0E 24 3,-0.9 3,-0.6 -3,-0.0 -3,-0.0 -0.956 71.8 -91.0-154.6 179.5 32.2 17.3 66.7 76 76 A S T 3 S+ 0 0 73 -2,-0.3 3,-0.2 1,-0.3 78,-0.1 0.524 126.4 42.0 -62.6 -20.6 34.2 16.7 63.5 77 77 A Y T 3 S+ 0 0 192 1,-0.2 2,-0.6 -4,-0.0 -1,-0.3 0.391 106.3 62.7-114.4 -9.6 31.2 14.8 62.0 78 78 A N B < S+Y 75 0E 45 -3,-0.6 -3,-0.9 135,-0.1 2,-0.3 -0.689 75.5 119.0-108.9 80.6 28.4 17.1 63.2 79 79 A V - 0 0 0 -2,-0.6 2,-0.3 43,-0.2 136,-0.2 -0.978 38.9-167.0-142.6 128.8 29.2 20.4 61.4 80 80 A A - 0 0 2 -2,-0.3 2,-0.1 131,-0.1 131,-0.1 -0.922 38.9 -14.4-156.9 164.8 27.2 22.4 58.8 81 81 A D - 0 0 6 -2,-0.3 41,-1.5 129,-0.2 42,-0.7 -0.844 69.7-135.4-101.7 -30.7 26.8 24.6 56.7 82 82 A G E -TU 121 209C 0 127,-1.3 127,-1.7 39,-0.2 2,-0.3 -0.847 13.4 -82.9 138.5-160.2 29.6 27.1 56.7 83 83 A F E -TU 120 208C 0 37,-1.9 37,-2.2 -2,-0.3 2,-0.4 -0.952 29.8-163.2-146.3 129.7 30.7 30.7 56.6 84 84 A T E -TU 119 207C 0 123,-2.7 123,-2.7 -2,-0.3 2,-0.4 -0.996 20.0-152.7-123.5 154.4 31.2 33.4 53.8 85 85 A F E +TU 118 206C 4 33,-1.6 33,-3.0 -2,-0.4 2,-0.3 -0.905 40.9 179.2 -97.9 124.3 32.8 36.7 53.2 86 86 A F E -TU 117 205C 0 119,-2.3 119,-1.8 -2,-0.4 2,-0.4 -0.936 31.6-148.6-135.6 158.4 30.7 38.2 50.4 87 87 A I E +TU 116 204C 5 29,-2.8 29,-2.0 -2,-0.3 117,-0.2 -0.997 36.1 150.5-123.6 128.6 30.4 41.3 48.2 88 88 A A E - 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