==== 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 LECTIN 12-JUN-96 1FAT . COMPND 2 MOLECULE: PHYTOHEMAGGLUTININ-L; . SOURCE 2 ORGANISM_SCIENTIFIC: PHASEOLUS VULGARIS; . AUTHOR T.HAMELRYCK,R.LORIS . 928 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 409 44.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 91 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 4 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 . 4 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 12 0 5 7 10 4 13 4 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 4 0 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 S 0 0 33 0, 0.0 242,-0.5 0, 0.0 232,-0.2 0.000 360.0 360.0 360.0 135.6 23.5 11.0 31.7 2 2 A N - 0 0 32 231,-0.3 230,-0.3 240,-0.2 54,-0.2 -0.535 360.0-177.4-152.1 70.1 26.3 9.5 33.7 3 3 A D - 0 0 27 238,-0.5 238,-2.2 228,-0.2 2,-0.3 -0.202 22.1-178.3 -79.6 160.0 26.2 6.1 32.1 4 4 A I E +AB 230 240A 15 226,-1.6 226,-1.8 236,-0.3 2,-0.3 -0.962 7.2 168.5-153.5 149.0 28.1 2.9 32.6 5 5 A Y E +AB 229 239A 74 234,-2.0 234,-2.2 -2,-0.3 2,-0.3 -0.894 1.0 164.2-165.1 139.4 27.9 -0.4 30.7 6 6 A F E -AB 228 238A 0 222,-2.1 222,-1.5 -2,-0.3 2,-0.3 -0.970 13.5-165.5-155.4 163.3 29.9 -3.5 30.6 7 7 A N E -AB 227 237A 17 230,-2.3 2,-0.6 -2,-0.3 230,-0.6 -0.846 2.0-167.3-158.9 113.7 29.6 -7.0 29.4 8 8 A F E +AB 226 236A 9 218,-2.7 218,-1.8 -2,-0.3 228,-0.2 -0.920 13.2 175.1-107.5 118.0 31.7 -10.0 30.2 9 9 A Q S S+ 0 0 108 226,-0.6 2,-0.3 -2,-0.6 -1,-0.1 0.441 85.2 22.2 -94.8 0.9 31.3 -13.1 28.2 10 10 A R S S- 0 0 86 216,-0.1 -1,-0.3 -3,-0.1 2,-0.2 -0.896 86.5-124.2-165.2 131.2 34.3 -14.5 30.1 11 11 A F + 0 0 2 17,-2.6 2,-0.4 -2,-0.3 18,-0.1 -0.565 22.4 178.5 -86.6 150.1 35.6 -13.6 33.5 12 12 A N > - 0 0 23 -2,-0.2 3,-0.9 16,-0.1 -2,-0.0 -0.992 31.6-129.1-146.1 138.0 39.1 -12.5 34.6 13 13 A E G > S+ 0 0 97 -2,-0.4 3,-1.0 1,-0.2 5,-0.1 0.519 88.7 85.3 -70.6 -0.3 40.0 -11.5 38.0 14 14 A T G 3 S+ 0 0 61 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.801 98.3 33.4 -79.4 -21.6 41.7 -8.2 37.2 15 15 A N G < S+ 0 0 14 -3,-0.9 37,-2.4 272,-0.1 2,-0.3 0.019 108.7 86.3-114.9 29.7 38.6 -6.0 37.2 16 16 A L E < -P 51 0B 16 -3,-1.0 2,-0.6 35,-0.3 35,-0.2 -0.932 67.2-140.4-128.7 147.8 36.8 -8.0 39.9 17 17 A I E -P 50 0B 64 33,-2.7 33,-2.3 -2,-0.3 2,-0.4 -0.958 27.2-163.7-107.5 115.3 36.8 -7.8 43.7 18 18 A L E -P 49 0B 61 -2,-0.6 2,-0.4 31,-0.2 31,-0.2 -0.879 4.8-165.8-107.6 136.2 36.7 -11.4 45.0 19 19 A Q E > -P 48 0B 19 29,-3.1 29,-1.9 -2,-0.4 3,-1.4 -0.974 52.5 -34.1-124.8 136.1 35.9 -12.2 48.6 20 20 A R E 3 S-P 47 0B 156 -2,-0.4 27,-0.2 1,-0.2 13,-0.1 -0.350 128.1 -1.8 60.1-126.3 36.4 -15.5 50.4 21 21 A D T 3 S+ 0 0 31 25,-2.1 -1,-0.2 11,-0.1 26,-0.2 0.381 96.9 122.6 -78.6 1.2 36.0 -18.5 48.2 22 22 A A < + 0 0 10 -3,-1.4 2,-0.3 24,-0.2 10,-0.2 -0.412 35.0 157.5 -64.3 144.9 35.1 -16.6 45.0 23 23 A S E -C 31 0A 51 8,-1.6 8,-3.5 10,-0.1 2,-0.5 -0.981 41.4-119.4-164.2 156.7 37.4 -17.4 42.1 24 24 A V E -C 30 0A 22 -2,-0.3 6,-0.2 6,-0.2 -11,-0.1 -0.929 34.0-134.7-106.8 125.0 37.7 -17.3 38.3 25 25 A S > - 0 0 25 4,-2.6 3,-3.2 -2,-0.5 4,-0.2 -0.345 26.8-103.2 -74.5 165.7 38.3 -20.6 36.7 26 26 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.700 125.4 56.7 -58.4 -21.1 40.8 -21.2 33.9 27 27 A S T 3 S- 0 0 80 2,-0.1 -1,-0.3 -17,-0.0 -16,-0.1 0.301 122.8-106.9 -95.2 8.3 37.8 -21.2 31.6 28 28 A G S < S+ 0 0 3 -3,-3.2 -17,-2.6 1,-0.3 2,-0.4 0.882 70.1 142.6 71.2 39.4 36.8 -17.8 32.7 29 29 A Q - 0 0 59 -19,-0.2 -4,-2.6 -4,-0.2 2,-0.8 -0.919 53.9-125.4-110.7 137.8 33.8 -18.7 34.8 30 30 A L E -CD 24 223A 1 193,-2.2 193,-2.7 -2,-0.4 2,-0.8 -0.760 27.4-166.4 -82.0 112.8 33.1 -16.8 38.0 31 31 A R E -CD 23 222A 60 -8,-3.5 -8,-1.6 -2,-0.8 191,-0.2 -0.887 7.8-172.4-105.1 103.5 32.9 -19.6 40.6 32 32 A L + 0 0 0 189,-2.2 2,-0.3 -2,-0.8 177,-0.2 0.746 65.2 41.7 -67.4 -24.8 31.3 -18.1 43.8 33 33 A T S S- 0 0 5 188,-0.4 188,-0.2 -10,-0.1 177,-0.1 -0.946 80.3-106.5-131.5 152.4 31.9 -21.2 46.0 34 34 A N - 0 0 48 -2,-0.3 8,-1.6 1,-0.1 2,-0.2 0.105 20.2-156.7 -60.0 176.6 34.5 -23.8 46.7 35 35 A L 0 0 64 6,-0.3 -1,-0.1 185,-0.0 8,-0.0 -0.576 360.0 360.0-140.3-167.9 35.1 -27.5 46.0 36 36 A N 0 0 90 -2,-0.2 -2,-0.0 4,-0.2 -1,-0.0 0.156 360.0 360.0-153.5 360.0 37.1 -30.4 47.4 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 38 A N 0 0 174 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.5 36.8 -34.8 44.6 39 39 A G + 0 0 45 1,-0.3 -4,-0.0 0, 0.0 3,-0.0 0.733 360.0 139.8 100.7 35.8 35.2 -31.9 42.8 40 40 A E - 0 0 90 39,-0.0 -1,-0.3 1,-0.0 -4,-0.2 -0.862 64.5 -93.4-112.7 142.4 32.3 -31.7 45.2 41 41 A P - 0 0 9 0, 0.0 -6,-0.3 0, 0.0 179,-0.1 -0.366 47.2-121.0 -55.1 124.7 30.8 -28.4 46.5 42 42 A R > - 0 0 99 -8,-1.6 3,-0.8 -2,-0.1 2,-0.2 -0.371 25.0-114.4 -68.6 146.7 32.5 -27.6 49.8 43 43 A V T 3 S+ 0 0 55 1,-0.2 170,-0.2 175,-0.1 175,-0.1 -0.585 95.2 17.0 -82.0 145.3 30.2 -27.3 52.8 44 44 A G T 3 S+ 0 0 4 168,-2.2 -1,-0.2 -2,-0.2 2,-0.2 0.824 87.0 163.4 66.2 30.9 29.9 -23.9 54.5 45 45 A S < - 0 0 0 -3,-0.8 166,-2.1 167,-0.3 58,-0.3 -0.575 16.1-177.9 -84.2 147.9 31.3 -22.1 51.5 46 46 A L E + Q 0 210B 2 164,-0.2 -25,-2.1 -2,-0.2 2,-0.4 -0.945 7.3 166.0-145.6 123.6 30.8 -18.3 51.1 47 47 A G E -PQ 20 209B 0 162,-2.4 162,-1.1 -2,-0.3 2,-0.3 -0.993 10.4-175.6-145.2 134.1 32.0 -16.3 48.1 48 48 A R E -PQ 19 208B 1 -29,-1.9 -29,-3.1 -2,-0.4 2,-0.3 -0.951 2.6-173.8-125.6 151.7 31.2 -12.8 46.8 49 49 A A E -PQ 18 207B 1 158,-2.1 158,-2.5 -2,-0.3 2,-0.3 -0.986 4.5-179.7-145.7 131.6 32.4 -11.0 43.6 50 50 A F E -PQ 17 206B 4 -33,-2.3 -33,-2.7 -2,-0.3 2,-0.3 -0.908 36.4-102.4-131.4 157.3 32.0 -7.4 42.5 51 51 A Y E -PQ 16 205B 3 154,-2.5 154,-0.5 -2,-0.3 -35,-0.3 -0.657 39.4-125.6 -74.2 136.1 32.9 -5.3 39.5 52 52 A S E S+ 0 0 29 -37,-2.4 -36,-0.1 -2,-0.3 -1,-0.1 0.591 86.3 73.8 -62.5 -20.4 35.9 -3.2 40.6 53 53 A A E S- 0 0 0 -38,-0.3 152,-0.2 152,-0.1 196,-0.1 -0.850 84.7-121.6-101.3 132.6 34.6 0.3 39.8 54 54 A P E - 0 0 16 0, 0.0 2,-0.4 0, 0.0 150,-0.2 -0.384 24.4-141.0 -62.3 149.0 31.9 1.7 42.1 55 55 A I E - Q 0 203B 8 148,-2.8 148,-2.6 -2,-0.0 2,-0.8 -0.912 9.7-128.8-113.7 142.1 28.7 2.6 40.4 56 56 A Q E + Q 0 202B 17 -2,-0.4 146,-0.3 146,-0.2 145,-0.1 -0.846 26.5 178.5 -94.4 113.1 26.7 5.7 41.3 57 57 A I - 0 0 0 144,-2.7 9,-3.0 -2,-0.8 2,-0.3 0.773 64.5 -6.3 -84.5 -28.2 23.2 4.6 42.0 58 58 A W E -V 65 0C 27 143,-1.6 2,-0.5 7,-0.2 7,-0.2 -0.984 60.8-127.4-160.0 168.2 21.7 8.0 42.9 59 59 A D E >> -V 64 0C 13 5,-2.7 4,-2.2 -2,-0.3 5,-0.7 -0.937 3.5-163.1-127.5 120.5 22.7 11.6 43.6 60 60 A N T 45S+ 0 0 109 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.831 91.8 55.2 -70.9 -29.0 21.7 13.5 46.7 61 61 A T T 45S+ 0 0 109 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.861 122.0 26.1 -73.0 -34.9 22.5 16.9 45.2 62 62 A T T 45S- 0 0 80 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.584 99.7-132.9 -99.0 -17.3 20.2 16.4 42.2 63 63 A G T <5 + 0 0 32 -4,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.651 58.0 140.3 72.5 18.2 17.9 14.0 44.0 64 64 A T E < -V 59 0C 42 -5,-0.7 -5,-2.7 168,-0.0 2,-0.3 -0.574 39.2-153.1 -96.5 156.3 18.0 11.6 41.0 65 65 A V E -V 58 0C 20 -7,-0.2 168,-0.5 -2,-0.2 -7,-0.2 -0.925 19.2-118.0-125.1 152.4 18.2 7.8 40.8 66 66 A A E -E 232 0A 0 -9,-3.0 2,-0.3 -2,-0.3 166,-0.2 -0.535 13.6-138.7 -89.7 151.9 19.6 5.6 38.1 67 67 A S E +E 231 0A 42 164,-2.0 164,-2.0 -2,-0.2 2,-0.3 -0.695 33.2 175.5 -98.3 157.3 17.8 3.1 36.1 68 68 A F E -EF 230 167A 13 99,-2.1 99,-2.7 -2,-0.3 2,-0.3 -0.983 22.3-168.1-156.0 170.3 19.6 -0.1 35.5 69 69 A A E +EF 229 166A 34 160,-2.0 160,-1.8 -2,-0.3 2,-0.3 -0.963 7.9 178.4-156.9 153.4 19.5 -3.5 34.1 70 70 A T E -EF 228 165A 3 95,-1.8 95,-1.7 -2,-0.3 2,-0.3 -0.964 5.6-168.2-155.2 157.8 21.7 -6.5 34.3 71 71 A S E +EF 227 164A 44 156,-1.9 156,-2.3 -2,-0.3 2,-0.3 -0.977 11.5 166.4-152.6 144.4 21.6 -10.0 33.0 72 72 A F E -EF 226 163A 2 91,-1.2 91,-2.6 -2,-0.3 2,-0.5 -0.977 27.8-132.8-156.6 162.3 23.6 -13.1 33.8 73 73 A T E +EF 225 162A 20 152,-1.7 151,-3.3 -2,-0.3 152,-0.7 -0.995 28.9 178.0-124.6 123.7 23.7 -16.8 33.3 74 74 A F E -EF 223 161A 2 87,-2.0 87,-2.9 -2,-0.5 2,-0.4 -0.889 17.6-153.6-127.2 162.7 24.3 -19.0 36.2 75 75 A N E -EF 222 160A 21 147,-2.6 147,-2.0 -2,-0.3 2,-0.5 -0.987 5.9-169.4-139.3 120.4 24.5 -22.7 36.7 76 76 A I - 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