==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 19-APR-03 1OFS . COMPND 2 MOLECULE: PEA LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PISUM SATIVUM; . AUTHOR M.B.SHEVTSOV,I.N.TSYGANNIK . 458 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 71.4 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 . 208 45.4 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 . 2 0.4 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 . 52 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.8 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+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 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 . 2 2 4 2 4 4 7 4 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 . 0 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 T 0 0 46 0, 0.0 239,-2.2 0, 0.0 240,-0.4 0.000 360.0 360.0 360.0 137.1 8.6 5.3 7.2 2 2 A E E +AB 228 239A 18 226,-2.6 226,-3.2 237,-0.2 2,-0.3 -0.997 360.0 177.5-139.0 139.1 12.2 4.0 7.4 3 3 A T E -AB 227 238A 21 235,-1.9 235,-2.1 -2,-0.4 2,-0.4 -0.985 6.1-171.6-138.7 149.0 15.5 5.5 6.4 4 4 A T E +AB 226 237A 4 222,-1.4 222,-2.2 -2,-0.3 2,-0.3 -0.995 16.7 161.2-137.1 134.5 19.1 4.3 6.7 5 5 A S E +AB 225 236A 19 231,-2.4 231,-2.6 -2,-0.4 2,-0.3 -0.994 8.8 168.3-152.2 157.6 22.2 6.4 6.0 6 6 A F E -AB 224 235A 3 218,-1.9 218,-2.2 -2,-0.3 2,-0.3 -0.972 13.5-156.0-162.8 158.9 25.9 6.5 6.6 7 7 A L E +AB 223 234A 56 227,-1.8 227,-2.1 -2,-0.3 2,-0.4 -0.996 9.8 177.2-144.1 136.3 29.0 8.3 5.5 8 8 A I E +AB 222 233A 0 214,-2.3 214,-2.6 -2,-0.3 225,-0.2 -0.913 2.9 175.5-138.0 105.9 32.6 7.3 5.6 9 9 A T S S+ 0 0 59 223,-2.6 2,-0.3 -2,-0.4 224,-0.1 0.684 80.2 9.1 -84.8 -19.5 35.0 9.9 4.0 10 10 A K S S- 0 0 75 222,-0.5 -1,-0.3 212,-0.1 2,-0.2 -0.928 83.2-118.6-159.0 135.6 38.0 7.9 5.0 11 11 A F - 0 0 5 18,-2.2 18,-0.3 -2,-0.3 -3,-0.0 -0.502 19.3-145.1 -81.9 144.2 38.3 4.4 6.5 12 12 A S > - 0 0 16 -2,-0.2 3,-0.5 17,-0.1 14,-0.1 -0.682 28.7-109.9-101.2 160.5 39.8 3.7 9.9 13 13 A P T 3 S+ 0 0 112 0, 0.0 2,-0.5 0, 0.0 13,-0.4 0.759 116.9 44.6 -61.5 -25.9 41.8 0.5 10.7 14 14 A D T 3 S+ 0 0 95 11,-0.1 2,-1.7 3,-0.0 3,-0.1 -0.676 70.4 171.9-120.8 75.4 39.0 -0.8 12.8 15 15 A Q X + 0 0 3 -3,-0.5 3,-1.7 -2,-0.5 -4,-0.0 -0.597 2.8 174.0 -85.9 79.2 35.9 -0.1 10.7 16 16 A Q T 3 + 0 0 63 -2,-1.7 -1,-0.2 1,-0.3 265,-0.0 0.635 69.3 66.8 -64.2 -17.7 33.4 -2.0 13.0 17 17 A N T 3 S+ 0 0 3 262,-0.1 30,-3.1 -3,-0.1 2,-0.3 0.372 95.6 70.4 -86.0 7.1 30.3 -0.9 11.0 18 18 A L E < S-P 46 0B 9 -3,-1.7 2,-0.5 28,-0.2 28,-0.2 -0.910 73.7-140.8-120.4 150.8 31.5 -2.9 8.0 19 19 A I E -P 45 0B 56 26,-2.8 26,-2.6 -2,-0.3 2,-0.4 -0.954 21.7-150.4-111.0 123.8 31.6 -6.7 7.6 20 20 A F E -P 44 0B 66 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.777 15.4-179.4-101.7 141.2 34.7 -8.0 5.8 21 21 A Q E > -P 43 0B 34 22,-2.6 22,-2.2 -2,-0.4 3,-1.9 -0.963 53.6 -13.3-134.9 151.9 35.0 -11.1 3.7 22 22 A G E 3 S-P 42 0B 62 -2,-0.3 20,-0.3 1,-0.3 12,-0.1 -0.381 131.2 -14.0 61.5-131.2 37.8 -12.7 1.8 23 23 A D T 3 S+ 0 0 66 18,-2.5 -1,-0.3 10,-0.3 19,-0.2 0.442 101.1 130.5 -83.0 -2.5 40.8 -10.4 1.4 24 24 A G < + 0 0 9 -3,-1.9 2,-0.3 19,-0.2 9,-0.2 -0.300 22.9 130.8 -62.5 132.8 38.8 -7.3 2.5 25 25 A Y E -C 32 0A 91 7,-1.9 7,-2.9 -2,-0.1 2,-0.4 -0.967 49.5-106.1-167.3 166.6 40.2 -5.0 5.1 26 26 A T E +C 31 0A 11 -13,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.878 41.3 152.6-109.0 140.7 40.9 -1.3 5.9 27 27 A T E > +C 30 0A 52 3,-2.7 3,-2.2 -2,-0.4 -16,-0.1 -0.960 59.3 10.3-163.4 144.7 44.4 0.3 5.9 28 28 A K T 3 S- 0 0 180 -2,-0.3 3,-0.1 1,-0.3 -16,-0.1 0.894 128.1 -58.2 48.8 46.8 46.0 3.7 5.3 29 29 A E T 3 S+ 0 0 121 -18,-0.3 -18,-2.2 1,-0.2 -1,-0.3 0.462 120.4 98.5 66.7 3.5 42.5 5.4 5.3 30 30 A K E < S-C 27 0A 54 -3,-2.2 -3,-2.7 -20,-0.2 2,-0.6 -0.777 73.7-121.7-119.6 162.8 41.4 3.2 2.4 31 31 A L E -CD 26 219A 0 188,-3.1 188,-2.7 -2,-0.3 2,-0.6 -0.921 25.9-154.9-103.2 115.1 39.3 -0.0 2.0 32 32 A T E +CD 25 218A 5 -7,-2.9 -7,-1.9 -2,-0.6 186,-0.2 -0.824 21.3 170.9 -94.6 121.1 41.3 -2.8 0.3 33 33 A L E S- 0 0 0 184,-2.7 2,-0.3 -2,-0.6 -10,-0.3 0.864 73.9 -7.2 -91.5 -47.3 39.2 -5.4 -1.5 34 34 A T E - D 0 217A 0 183,-1.5 183,-2.0 8,-0.1 -1,-0.4 -0.987 61.6-139.6-144.9 151.7 42.1 -7.1 -3.3 35 35 A K - 0 0 113 -2,-0.3 2,-2.1 181,-0.2 180,-0.4 -0.436 56.7 -75.0 -93.5 179.3 45.8 -6.4 -3.7 36 36 A A S S+ 0 0 38 -2,-0.2 2,-0.3 178,-0.1 180,-0.2 -0.510 92.8 119.0 -81.5 78.0 47.3 -7.1 -7.1 37 37 A V - 0 0 66 -2,-2.1 178,-0.4 178,-0.4 3,-0.4 -0.948 61.8-100.3-137.5 157.5 47.3 -10.9 -6.8 38 38 A K S S+ 0 0 126 -2,-0.3 174,-0.2 1,-0.2 176,-0.1 -0.353 86.6 7.7 -82.6 159.6 45.7 -13.7 -8.8 39 39 A N S S+ 0 0 124 172,-2.2 2,-0.3 174,-0.3 172,-0.2 0.848 92.6 126.3 42.8 56.8 42.6 -15.8 -8.1 40 40 A T - 0 0 21 -3,-0.4 170,-2.0 170,-0.2 58,-0.4 -0.865 42.6-152.6-137.6 171.1 41.3 -13.9 -5.1 41 41 A V E - Q 0 209B 27 -2,-0.3 -18,-2.5 168,-0.2 2,-0.3 -0.992 8.2-178.5-144.6 145.2 38.2 -12.2 -3.8 42 42 A G E +PQ 22 208B 0 166,-2.0 166,-1.4 -2,-0.3 2,-0.3 -0.987 7.5 175.6-144.9 136.1 37.5 -9.4 -1.3 43 43 A R E -PQ 21 207B 1 -22,-2.2 -22,-2.6 -2,-0.3 2,-0.3 -0.972 12.1-167.8-140.9 155.5 34.2 -8.0 -0.1 44 44 A A E -PQ 20 206B 0 162,-2.0 162,-2.5 -2,-0.3 2,-0.3 -0.979 11.7-169.9-143.5 129.9 33.0 -5.4 2.4 45 45 A L E -PQ 19 205B 2 -26,-2.6 -26,-2.8 -2,-0.3 2,-0.3 -0.901 31.4-105.6-124.0 152.5 29.4 -5.0 3.5 46 46 A Y E -P 18 0B 0 158,-2.4 158,-0.2 -2,-0.3 -28,-0.2 -0.583 33.8-131.2 -71.4 134.2 27.5 -2.4 5.5 47 47 A S S S+ 0 0 7 -30,-3.1 -1,-0.1 -2,-0.3 -29,-0.1 0.860 83.3 73.5 -57.8 -40.7 26.8 -4.0 8.9 48 48 A S S S- 0 0 0 -31,-0.3 156,-0.3 232,-0.1 200,-0.1 -0.618 83.7-122.5 -84.6 129.7 23.1 -3.1 9.2 49 49 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 154,-0.2 -0.316 29.6-137.8 -57.1 150.8 20.5 -4.8 7.0 50 50 A I E -R 202 0B 0 152,-3.2 152,-2.4 -4,-0.1 2,-0.9 -0.953 7.1-127.9-118.8 138.3 18.6 -2.3 4.9 51 51 A H E +R 201 0B 8 -2,-0.4 150,-0.2 150,-0.2 3,-0.1 -0.751 35.0 166.5 -88.0 105.4 14.8 -2.4 4.3 52 52 A I + 0 0 1 148,-2.2 9,-3.4 -2,-0.9 2,-0.3 0.774 61.8 0.5 -90.7 -32.7 14.4 -2.3 0.5 53 53 A W B -W 60 0C 37 147,-1.5 2,-0.5 7,-0.3 -1,-0.3 -0.991 57.3-137.5-155.0 159.8 10.7 -3.2 0.1 54 54 A D > - 0 0 19 5,-2.4 4,-2.5 -2,-0.3 5,-0.3 -0.979 6.1-155.4-125.1 121.6 7.7 -4.2 2.2 55 55 A R T 4 S+ 0 0 172 -2,-0.5 -1,-0.1 2,-0.2 140,-0.0 0.879 91.1 53.7 -62.2 -42.3 5.3 -7.0 1.2 56 56 A E T 4 S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.952 124.3 23.8 -61.3 -51.3 2.2 -5.7 3.0 57 57 A T T 4 S- 0 0 62 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.777 95.7-134.5 -84.9 -27.8 2.2 -2.2 1.4 58 58 A G < + 0 0 19 -4,-2.5 -3,-0.2 1,-0.3 137,-0.1 0.492 52.1 152.9 83.5 5.0 4.2 -3.2 -1.7 59 59 A N - 0 0 55 -5,-0.3 -5,-2.4 -6,-0.1 2,-0.4 -0.373 29.8-157.3 -69.8 146.9 6.3 -0.1 -1.2 60 60 A V B -W 53 0C 21 -7,-0.2 169,-0.3 169,-0.1 -7,-0.3 -0.954 19.0-111.4-125.1 144.3 9.8 -0.0 -2.4 61 61 A A - 0 0 0 -9,-3.4 2,-0.4 -2,-0.4 167,-0.2 -0.363 13.6-139.4 -77.2 152.5 12.6 2.2 -1.2 62 62 A N E +E 227 0A 64 165,-2.4 165,-2.5 105,-0.1 2,-0.3 -0.826 35.3 170.9 -99.7 144.9 14.4 5.0 -3.0 63 63 A F E -EF 226 166A 9 103,-1.7 103,-2.9 -2,-0.4 2,-0.3 -0.994 23.6-167.3-155.4 159.5 18.1 5.0 -2.4 64 64 A V E -EF 225 165A 54 161,-2.2 161,-2.2 -2,-0.3 2,-0.4 -0.989 6.3-172.7-145.3 142.6 21.3 6.6 -3.5 65 65 A T E -EF 224 164A 1 99,-2.4 99,-2.7 -2,-0.3 2,-0.4 -0.996 2.0-168.8-137.9 143.0 24.9 5.6 -2.9 66 66 A S E +EF 223 163A 40 157,-2.0 157,-2.6 -2,-0.4 2,-0.3 -0.983 15.8 155.0-129.7 143.3 28.1 7.4 -3.7 67 67 A F E -EF 222 162A 3 95,-2.1 95,-3.4 -2,-0.4 2,-0.4 -0.988 32.8-134.1-161.3 161.1 31.7 6.1 -3.5 68 68 A T E +EF 221 161A 18 153,-1.5 152,-3.1 -2,-0.3 153,-1.0 -0.986 29.3 177.0-121.2 129.3 35.1 6.6 -4.9 69 69 A F E -EF 219 160A 2 91,-2.0 91,-2.8 -2,-0.4 2,-0.4 -0.907 14.0-156.1-132.1 160.8 37.2 3.6 -6.0 70 70 A V E -E 218 0A 10 148,-2.5 148,-2.5 -2,-0.3 2,-0.5 -0.994 3.2-158.0-137.8 142.7 40.6 3.0 -7.6 71 71 A I E -E 217 0A 3 87,-0.5 86,-3.0 -2,-0.4 2,-0.6 -0.990 7.2-168.3-120.2 126.4 42.0 0.1 -9.6 72 72 A N E -E 216 0A 65 144,-2.2 144,-2.8 -2,-0.5 84,-0.1 -0.933 6.6-172.9-117.4 106.0 45.7 -0.3 -9.8 73 73 A A - 0 0 10 -2,-0.6 142,-0.2 142,-0.2 6,-0.1 -0.850 25.3-144.8-100.9 131.2 46.8 -2.8 -12.4 74 74 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.681 91.0 44.6 -64.4 -15.5 50.5 -3.8 -12.6 75 75 A N - 0 0 45 3,-0.3 -2,-0.1 139,-0.3 81,-0.0 -0.861 68.4-147.2-126.4 161.1 49.9 -3.9 -16.4 76 76 A S S S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.599 101.8 36.0 -99.7 -14.9 48.1 -1.7 -18.9 77 77 A Y S S+ 0 0 149 1,-0.2 2,-0.5 -4,-0.0 -1,-0.1 0.554 110.8 57.1-114.7 -14.2 47.0 -4.6 -21.1 78 78 A N + 0 0 61 136,-0.1 136,-0.5 45,-0.0 2,-0.4 -0.790 66.8 150.6-124.7 89.8 46.2 -7.4 -18.7 79 79 A V - 0 0 5 -2,-0.5 2,-0.3 43,-0.3 136,-0.2 -0.955 24.0-143.8-124.7 138.2 43.6 -6.3 -16.1 80 80 A A - 0 0 1 -2,-0.4 2,-0.1 134,-0.2 19,-0.0 -0.966 33.8 -27.6-166.5 160.4 41.0 -8.4 -14.3 81 81 A D - 0 0 6 -2,-0.3 41,-1.4 133,-0.2 42,-0.8 -0.881 63.4-132.3-110.1 -24.0 38.5 -8.9 -13.0 82 82 A G E -ST 121 209B 0 127,-1.2 127,-1.5 39,-0.2 2,-0.3 -0.888 10.4 -94.8 144.1-173.6 36.5 -6.0 -11.7 83 83 A F E -ST 120 208B 0 37,-1.8 37,-2.5 -2,-0.3 2,-0.3 -0.967 27.7-167.6-144.7 148.0 34.6 -4.5 -8.9 84 84 A T E -ST 119 207B 0 123,-2.7 123,-1.8 -2,-0.3 2,-0.5 -0.957 23.0-143.9-138.6 161.2 30.9 -4.2 -8.0 85 85 A F E -ST 118 206B 4 33,-1.9 33,-2.9 -2,-0.3 2,-0.3 -0.985 42.0-172.8-113.1 130.6 28.5 -2.5 -5.7 86 86 A F E -ST 117 205B 0 119,-3.1 119,-2.0 -2,-0.5 2,-0.5 -0.931 32.4-152.5-136.0 159.4 25.9 -5.1 -4.8 87 87 A I E +ST 116 204B 4 29,-2.9 29,-2.3 -2,-0.3 117,-0.2 -0.995 38.3 150.7-124.4 119.1 22.5 -5.6 -3.1 88 88 A A E - 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