==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT LECTIN 06-MAR-03 1HKD . 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) . 17875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 71.6 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 . 56 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 42 0, 0.0 239,-2.6 0, 0.0 240,-0.5 0.000 360.0 360.0 360.0 135.2 16.1 25.1 7.0 2 2 A E E +AB 228 239A 12 226,-2.3 226,-3.2 237,-0.2 2,-0.3 -0.983 360.0 175.5-137.9 124.9 12.7 26.8 7.3 3 3 A T E -AB 227 238A 19 235,-2.0 235,-2.1 -2,-0.4 2,-0.4 -0.967 9.2-169.3-128.8 148.0 9.4 25.2 6.2 4 4 A T E +AB 226 237A 7 222,-1.6 222,-2.1 -2,-0.3 2,-0.3 -0.998 14.8 165.4-136.3 129.2 5.8 26.4 6.5 5 5 A S E +AB 225 236A 20 231,-2.4 231,-2.4 -2,-0.4 2,-0.3 -0.975 6.5 164.8-140.7 158.1 2.7 24.3 5.8 6 6 A F E -AB 224 235A 3 218,-1.7 218,-2.2 -2,-0.3 2,-0.3 -0.954 13.3-161.1-165.5 156.6 -1.0 24.3 6.4 7 7 A L E -AB 223 234A 58 227,-1.9 227,-2.0 -2,-0.3 2,-0.4 -0.983 6.8-180.0-147.5 132.0 -4.1 22.5 5.1 8 8 A I E +AB 222 233A 1 214,-2.4 214,-2.2 -2,-0.3 225,-0.2 -0.922 7.2 170.8-135.4 104.0 -7.7 23.5 5.4 9 9 A T S S+ 0 0 61 223,-2.5 2,-0.3 -2,-0.4 224,-0.1 0.670 79.6 19.2 -84.9 -23.8 -10.2 21.1 3.8 10 10 A K S S- 0 0 31 222,-0.5 -1,-0.3 212,-0.1 20,-0.2 -0.955 81.8-129.3-149.6 128.6 -13.2 22.9 5.2 11 11 A F - 0 0 1 18,-2.1 18,-0.2 -2,-0.3 222,-0.0 -0.491 16.9-138.2 -80.6 149.5 -13.3 26.5 6.5 12 12 A S > - 0 0 9 -2,-0.2 3,-0.6 16,-0.1 14,-0.1 -0.659 24.3-114.3-102.5 157.5 -14.8 27.4 9.9 13 13 A P T 3 S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 13,-0.3 0.763 118.0 40.7 -62.1 -24.5 -17.0 30.5 10.6 14 14 A D T 3 S+ 0 0 84 11,-0.1 2,-1.6 3,-0.0 3,-0.1 -0.667 72.3 171.3-124.6 72.9 -14.2 31.8 12.7 15 15 A Q X + 0 0 2 -3,-0.6 3,-1.5 -2,-0.3 -4,-0.0 -0.645 4.4 176.5 -83.8 83.2 -11.0 31.0 10.8 16 16 A Q T 3 + 0 0 70 -2,-1.6 -1,-0.2 1,-0.3 265,-0.0 0.588 69.7 66.8 -67.9 -12.0 -8.6 33.0 12.9 17 17 A N T 3 S+ 0 0 4 262,-0.1 30,-2.8 -3,-0.1 2,-0.3 0.336 94.8 72.4 -91.9 8.7 -5.4 31.9 11.0 18 18 A L E < S-P 46 0B 10 -3,-1.5 2,-0.5 28,-0.2 28,-0.2 -0.902 74.0-139.7-120.2 149.7 -6.7 33.9 8.0 19 19 A I E -P 45 0B 53 26,-3.0 26,-2.3 -2,-0.3 2,-0.4 -0.948 19.6-152.3-110.0 123.7 -6.8 37.6 7.5 20 20 A F E +P 44 0B 70 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.791 14.6 179.7-101.8 137.4 -9.9 38.9 5.7 21 21 A Q E > -P 43 0B 32 22,-2.6 22,-2.7 -2,-0.4 3,-1.6 -0.978 54.4 -14.1-133.8 148.3 -10.1 42.1 3.6 22 22 A G E 3 S-P 42 0B 56 -2,-0.3 20,-0.3 1,-0.2 12,-0.1 -0.437 131.1 -14.0 65.4-129.8 -13.0 43.7 1.7 23 23 A D T 3 S+ 0 0 71 18,-2.5 -1,-0.2 10,-0.3 19,-0.2 0.495 100.4 130.8 -84.4 -3.3 -16.0 41.3 1.3 24 24 A G < + 0 0 9 -3,-1.6 2,-0.3 17,-0.2 9,-0.2 -0.232 23.6 132.1 -58.6 133.1 -14.0 38.3 2.3 25 25 A Y E -C 32 0A 82 7,-2.0 7,-2.8 2,-0.1 2,-0.4 -0.971 48.4-109.1-168.3 165.0 -15.4 35.9 4.9 26 26 A T E +C 31 0A 13 -13,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.844 40.4 150.7-106.8 148.5 -16.1 32.3 5.7 27 27 A T E > +C 30 0A 35 3,-2.4 3,-2.0 -2,-0.4 -16,-0.1 -0.907 60.1 15.6-172.0 142.0 -19.6 30.6 5.7 28 28 A K T 3 S- 0 0 175 1,-0.3 3,-0.1 -2,-0.3 -16,-0.1 0.863 128.6 -61.1 57.6 36.1 -21.1 27.2 5.0 29 29 A E T 3 S+ 0 0 117 1,-0.2 -18,-2.1 -18,-0.2 -1,-0.3 0.489 118.3 103.6 70.5 6.0 -17.6 25.7 5.3 30 30 A K E < S-C 27 0A 51 -3,-2.0 -3,-2.4 -20,-0.2 2,-0.6 -0.754 72.3-122.1-118.8 161.5 -16.5 27.8 2.3 31 31 A L E -CD 26 219A 0 188,-2.8 188,-2.6 -2,-0.3 2,-0.6 -0.922 26.5-159.6-103.3 114.2 -14.3 30.9 1.8 32 32 A T E +CD 25 218A 4 -7,-2.8 -7,-2.0 -2,-0.6 186,-0.2 -0.880 19.4 172.5 -99.3 118.0 -16.3 33.6 0.0 33 33 A L E S- 0 0 0 184,-2.6 2,-0.3 -2,-0.6 -10,-0.3 0.868 74.7 -4.9 -87.7 -47.3 -14.2 36.3 -1.7 34 34 A T E - D 0 217A 0 183,-1.2 183,-2.0 8,-0.1 -1,-0.4 -0.991 62.3-139.8-144.5 148.1 -17.1 38.0 -3.4 35 35 A K - 0 0 118 -2,-0.3 2,-2.1 181,-0.2 180,-0.4 -0.404 55.8 -75.5 -88.7-179.8 -20.8 37.4 -3.8 36 36 A A S S+ 0 0 48 -2,-0.2 2,-0.3 178,-0.1 180,-0.2 -0.460 92.4 118.3 -81.1 72.3 -22.5 38.0 -7.1 37 37 A V - 0 0 64 -2,-2.1 178,-0.4 178,-0.4 3,-0.3 -0.909 62.7 -97.4-133.8 161.6 -22.6 41.8 -6.8 38 38 A K S S+ 0 0 129 -2,-0.3 174,-0.2 1,-0.2 176,-0.1 -0.323 87.3 5.0 -81.8 160.6 -21.0 44.7 -8.8 39 39 A N S S+ 0 0 125 172,-1.9 2,-0.3 174,-0.2 172,-0.2 0.842 92.0 129.4 38.3 61.0 -17.9 46.7 -8.2 40 40 A T - 0 0 24 -3,-0.3 170,-1.9 170,-0.3 58,-0.4 -0.869 40.4-155.8-138.9 168.0 -16.5 44.8 -5.2 41 41 A V E - Q 0 209B 33 -2,-0.3 -18,-2.5 168,-0.2 2,-0.3 -0.991 7.8-179.1-143.9 145.9 -13.3 43.2 -3.9 42 42 A G E -PQ 22 208B 0 166,-2.0 166,-1.8 -2,-0.3 2,-0.3 -0.986 5.5-179.2-145.8 139.7 -12.5 40.5 -1.4 43 43 A R E -PQ 21 207B 1 -22,-2.7 -22,-2.6 -2,-0.3 2,-0.3 -0.976 10.2-168.0-138.9 154.3 -9.2 39.1 -0.2 44 44 A A E -PQ 20 206B 0 162,-2.1 162,-2.4 -2,-0.3 2,-0.3 -0.969 11.0-174.8-142.2 127.4 -8.0 36.4 2.2 45 45 A L E -PQ 19 205B 3 -26,-2.3 -26,-3.0 -2,-0.3 2,-0.3 -0.911 32.9-105.4-123.5 151.2 -4.4 36.0 3.3 46 46 A Y E -P 18 0B 0 158,-2.4 158,-0.2 -2,-0.3 -28,-0.2 -0.563 33.4-130.0 -70.3 132.6 -2.6 33.4 5.5 47 47 A S S S+ 0 0 11 -30,-2.8 -1,-0.1 -2,-0.3 -29,-0.1 0.849 83.3 71.6 -51.8 -47.8 -1.9 34.9 8.9 48 48 A S S S- 0 0 0 -31,-0.3 156,-0.3 232,-0.1 200,-0.1 -0.603 83.4-121.1 -83.8 131.2 1.8 34.0 9.1 49 49 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 154,-0.2 -0.354 29.8-135.3 -60.7 148.0 4.5 35.8 7.0 50 50 A I E -R 202 0B 0 152,-3.4 152,-2.4 197,-0.0 2,-1.1 -0.932 5.1-132.8-112.0 139.2 6.4 33.3 4.8 51 51 A H E +R 201 0B 6 -2,-0.4 150,-0.2 150,-0.2 3,-0.1 -0.752 34.8 166.9 -91.5 96.6 10.2 33.2 4.4 52 52 A I + 0 0 1 148,-1.5 9,-3.1 -2,-1.1 2,-0.3 0.672 62.2 11.1 -86.8 -26.8 10.4 32.9 0.6 53 53 A W B S-W 60 0C 41 147,-1.3 2,-0.6 7,-0.3 7,-0.2 -0.985 70.5-124.2-151.5 153.5 14.1 33.7 0.1 54 54 A D > - 0 0 14 5,-3.0 4,-2.6 -2,-0.3 5,-0.3 -0.884 6.8-160.5-107.1 118.8 17.2 34.2 2.3 55 55 A R T 4 S+ 0 0 165 -2,-0.6 -1,-0.2 2,-0.2 0, 0.0 0.932 91.5 50.6 -57.0 -49.2 19.2 37.4 2.2 56 56 A E T 4 S+ 0 0 114 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.938 125.8 21.2 -57.5 -54.1 22.3 35.8 3.7 57 57 A T T 4 S- 0 0 67 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.576 93.9-127.4 -93.8 -15.4 22.7 32.8 1.5 58 58 A G < + 0 0 25 -4,-2.6 -3,-0.1 1,-0.3 2,-0.1 0.570 56.9 150.8 77.1 8.3 20.7 33.9 -1.6 59 59 A N - 0 0 65 -5,-0.3 -5,-3.0 170,-0.1 2,-0.4 -0.441 33.1-152.1 -74.3 145.5 18.7 30.7 -1.4 60 60 A V B -W 53 0C 25 -7,-0.2 169,-0.3 -2,-0.1 -7,-0.3 -0.949 18.6-112.9-118.7 143.7 15.1 30.8 -2.7 61 61 A A - 0 0 0 -9,-3.1 2,-0.4 -2,-0.4 167,-0.2 -0.380 13.8-138.4 -77.4 146.3 12.3 28.5 -1.4 62 62 A N E +E 227 0A 67 165,-2.3 165,-2.8 105,-0.1 2,-0.3 -0.798 34.4 174.4 -91.5 145.0 10.5 25.8 -3.3 63 63 A F E -EF 226 166A 8 103,-1.4 103,-2.9 -2,-0.4 2,-0.3 -0.990 22.0-165.7-151.4 158.5 6.8 25.9 -2.7 64 64 A V E -EF 225 165A 60 161,-2.4 161,-2.3 -2,-0.3 2,-0.4 -0.991 6.5-175.8-145.4 134.6 3.6 24.2 -3.8 65 65 A T E -EF 224 164A 0 99,-2.7 99,-3.1 -2,-0.3 2,-0.4 -0.992 0.5-174.7-130.7 143.8 -0.0 25.3 -3.3 66 66 A S E +EF 223 163A 43 157,-1.9 157,-2.4 -2,-0.4 2,-0.3 -0.997 12.6 158.4-137.4 140.4 -3.2 23.5 -4.2 67 67 A F E -EF 222 162A 2 95,-2.0 95,-3.3 -2,-0.4 2,-0.5 -0.984 33.4-130.0-155.8 162.4 -6.8 24.7 -3.9 68 68 A T E +EF 221 161A 17 153,-1.5 152,-3.6 -2,-0.3 153,-0.9 -0.984 31.8 175.0-119.9 122.4 -10.3 24.2 -5.2 69 69 A F E -EF 219 160A 2 91,-1.9 91,-2.4 -2,-0.5 2,-0.4 -0.893 14.9-156.4-127.5 158.2 -12.3 27.2 -6.2 70 70 A V E -E 218 0A 9 148,-2.9 148,-2.8 -2,-0.3 2,-0.5 -0.989 4.7-157.4-134.1 139.2 -15.6 27.9 -7.9 71 71 A I E -E 217 0A 3 87,-0.5 86,-2.7 -2,-0.4 2,-0.6 -0.986 10.4-168.2-115.3 119.7 -16.9 30.8 -9.9 72 72 A N E +E 216 0A 62 144,-2.4 144,-3.1 -2,-0.5 84,-0.1 -0.931 11.5 178.4-110.7 106.3 -20.7 31.1 -9.9 73 73 A A - 0 0 13 -2,-0.6 142,-0.2 142,-0.2 6,-0.1 -0.767 41.0-119.9-106.2 154.1 -22.0 33.6 -12.5 74 74 A P S S- 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.764 96.7 -13.4 -61.1 -24.2 -25.6 34.5 -13.3 75 75 A N S S- 0 0 36 3,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.938 72.3-101.5-161.9-179.5 -24.9 33.2 -16.8 76 76 A S S S+ 0 0 69 -2,-0.3 3,-0.2 1,-0.1 78,-0.1 0.499 110.0 52.8 -93.9 -5.6 -22.0 32.2 -19.1 77 77 A Y S S+ 0 0 165 1,-0.2 2,-0.8 -4,-0.0 -1,-0.1 0.831 104.3 49.8 -98.8 -36.9 -21.8 35.4 -21.2 78 78 A N S S+ 0 0 71 45,-0.0 136,-0.5 2,-0.0 2,-0.4 -0.703 74.0 142.1-106.4 83.6 -21.5 38.2 -18.6 79 79 A V - 0 0 1 -2,-0.8 2,-0.3 43,-0.3 136,-0.2 -0.952 30.4-143.5-124.2 139.7 -18.8 37.2 -16.2 80 80 A A - 0 0 1 -2,-0.4 2,-0.2 43,-0.1 19,-0.0 -0.969 35.1 -33.7-168.9 155.0 -16.1 39.4 -14.4 81 81 A D - 0 0 6 -2,-0.3 41,-1.8 129,-0.2 42,-0.9 -0.846 66.1-132.5-107.0 -35.1 -13.5 40.0 -13.4 82 82 A G E -ST 121 209B 0 127,-1.3 127,-1.6 39,-0.2 2,-0.3 -0.891 10.2 -87.0 153.2-167.6 -11.7 37.0 -11.9 83 83 A F E -ST 120 208B 0 37,-1.8 37,-2.5 -2,-0.3 2,-0.3 -0.940 28.7-169.2-143.3 146.4 -9.7 35.5 -9.1 84 84 A T E -ST 119 207B 0 123,-2.6 123,-1.7 -2,-0.3 2,-0.4 -0.983 22.2-144.8-139.3 158.1 -6.0 35.2 -8.2 85 85 A F E -ST 118 206B 5 33,-1.8 33,-2.8 -2,-0.3 2,-0.3 -0.950 41.4-175.9-111.0 134.0 -3.5 33.5 -5.9 86 86 A F E -ST 117 205B 1 119,-2.7 119,-1.8 -2,-0.4 2,-0.4 -0.954 32.9-150.1-141.5 159.1 -0.8 36.0 -5.1 87 87 A I E +ST 116 204B 5 29,-2.8 29,-2.2 -2,-0.3 117,-0.2 -0.999 37.9 150.5-123.6 123.3 2.5 36.6 -3.2 88 88 A A E - 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