==== 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 27-JAN-94 1LOG . COMPND 2 MOLECULE: LEGUME ISOLECTIN I (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: LATHYRUS OCHRUS; . AUTHOR Y.BOURNE,C.CAMBILLAU . 458 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 70.3 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 . 5 1.1 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 . 3 0.7 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 . 51 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.3 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 . 1 0.2 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 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 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 53 0, 0.0 236,-2.4 0, 0.0 237,-0.5 0.000 360.0 360.0 360.0 126.6 57.3 20.2 -11.8 2 2 A E E -AB 226 236A 11 224,-2.5 224,-3.2 234,-0.2 2,-0.4 -0.996 360.0-178.5-132.8 132.2 55.2 21.7 -9.1 3 3 A T E -AB 225 235A 18 232,-2.5 232,-1.7 -2,-0.4 2,-0.4 -0.993 10.4-179.5-136.7 137.8 56.4 22.3 -5.5 4 4 A T E +AB 224 234A 6 220,-1.3 220,-2.3 -2,-0.4 2,-0.3 -0.993 15.3 163.2-132.1 135.8 54.8 23.7 -2.4 5 5 A S E +AB 223 233A 13 228,-2.6 228,-2.6 -2,-0.4 2,-0.3 -0.986 3.5 159.7-148.0 150.2 56.8 24.0 1.0 6 6 A F E -AB 222 232A 0 216,-1.9 216,-2.4 -2,-0.3 2,-0.3 -0.955 16.9-159.1-160.5 160.0 56.4 25.9 4.2 7 7 A S E -AB 221 231A 18 224,-1.8 224,-1.9 -2,-0.3 2,-0.5 -0.981 3.9-173.3-142.8 133.9 57.5 25.7 7.8 8 8 A I E +AB 220 230A 1 212,-2.9 212,-2.8 -2,-0.3 222,-0.2 -0.960 5.8 175.7-123.0 107.4 56.0 27.3 10.9 9 9 A T S S+ 0 0 70 220,-2.5 2,-0.3 -2,-0.5 221,-0.1 0.735 76.8 10.8 -79.6 -28.1 58.2 26.8 13.9 10 10 A K S S- 0 0 63 219,-0.4 2,-0.4 448,-0.2 -1,-0.3 -0.948 79.2-129.0-153.7 133.9 56.0 28.9 16.4 11 11 A F - 0 0 0 18,-2.1 18,-0.4 -2,-0.3 4,-0.1 -0.720 23.1-151.2 -89.9 127.7 52.5 30.0 15.6 12 12 A G - 0 0 2 -2,-0.4 3,-0.3 17,-0.1 449,-0.1 -0.377 34.1 -93.3 -90.1 178.1 51.9 33.8 16.2 13 13 A P S S+ 0 0 97 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.656 120.0 40.2 -63.4 -22.8 48.5 35.3 17.1 14 14 A D + 0 0 92 3,-0.0 2,-1.5 0, 0.0 447,-0.1 -0.781 66.4 173.3-130.8 84.2 47.6 36.1 13.5 15 15 A Q > + 0 0 4 -2,-0.4 3,-1.4 -3,-0.3 445,-0.0 -0.683 5.5 175.9 -94.0 81.7 48.6 33.1 11.3 16 16 A Q T 3 + 0 0 66 -2,-1.5 -1,-0.2 1,-0.3 262,-0.0 0.620 68.2 67.3 -66.4 -12.4 47.0 34.3 8.1 17 17 A N T 3 S+ 0 0 3 259,-0.1 30,-2.5 -3,-0.1 2,-0.3 0.263 93.2 73.6 -93.4 20.2 48.4 31.4 6.0 18 18 A L E < S-P 46 0B 11 -3,-1.4 2,-0.5 28,-0.2 28,-0.2 -0.916 72.2-140.7-128.6 150.3 46.2 29.0 7.8 19 19 A I E -P 45 0B 56 26,-2.6 26,-2.4 -2,-0.3 2,-0.3 -0.969 20.9-152.8-109.8 125.0 42.4 28.4 7.7 20 20 A F E -P 44 0B 72 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.788 13.7-178.2-100.5 139.3 40.8 27.7 11.1 21 21 A Q E > -P 43 0B 33 22,-2.9 22,-3.0 -2,-0.3 3,-1.5 -0.972 56.9 -4.2-132.7 150.5 37.6 25.7 11.5 22 22 A G E 3 S-P 42 0B 58 -2,-0.3 20,-0.3 20,-0.3 12,-0.1 -0.521 132.1 -25.4 68.7-132.8 35.7 24.8 14.6 23 23 A D T 3 S+ 0 0 87 18,-2.7 -1,-0.2 10,-0.3 19,-0.2 0.152 94.6 141.8 -96.8 19.2 37.5 26.1 17.7 24 24 A G < + 0 0 10 -3,-1.5 2,-0.3 19,-0.2 9,-0.2 -0.391 20.4 142.0 -64.7 133.5 40.9 26.1 16.0 25 25 A Y E -C 32 0A 97 7,-2.1 7,-2.8 2,-0.1 2,-0.4 -0.951 46.3-112.0-160.7 179.4 43.0 29.1 17.0 26 26 A T E +C 31 0A 16 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.899 36.1 166.1-126.8 135.8 46.5 29.9 17.9 27 27 A T E > -C 30 0A 63 3,-3.0 3,-1.9 -2,-0.4 -16,-0.1 -0.926 60.1 -0.5-161.8 135.0 47.8 31.0 21.3 28 28 A K T 3 S- 0 0 159 -2,-0.3 -16,-0.1 1,-0.3 3,-0.1 0.880 129.2 -54.2 53.3 48.4 51.0 31.4 23.1 29 29 A E T 3 S+ 0 0 96 -18,-0.4 -18,-2.1 1,-0.2 2,-0.3 0.500 119.5 103.0 66.1 12.8 52.9 30.3 20.0 30 30 A R E < S-C 27 0A 60 -3,-1.9 -3,-3.0 -20,-0.2 2,-0.7 -0.840 72.9-124.9-120.4 152.9 51.0 27.1 19.7 31 31 A L E -CD 26 217A 0 186,-2.9 186,-2.2 -2,-0.3 2,-0.7 -0.871 29.6-158.9 -91.3 113.9 48.1 26.0 17.4 32 32 A T E +CD 25 216A 2 -7,-2.8 -7,-2.1 -2,-0.7 184,-0.2 -0.858 18.7 175.7-101.3 117.1 45.4 24.8 19.7 33 33 A L E S+ 0 0 0 182,-2.3 2,-0.3 -2,-0.7 -10,-0.3 0.886 71.9 6.8 -80.1 -39.8 42.9 22.5 18.0 34 34 A T E - D 0 215A 2 181,-1.2 181,-1.6 173,-0.1 -1,-0.3 -0.980 64.1-139.4-144.9 145.4 40.8 21.8 21.1 35 35 A K - 0 0 103 -2,-0.3 2,-2.5 179,-0.2 178,-0.4 -0.537 50.1 -89.2 -89.2 166.2 40.8 23.0 24.8 36 36 A A S S+ 0 0 35 -2,-0.2 2,-0.3 176,-0.1 178,-0.2 -0.441 93.4 116.1 -81.0 74.2 40.2 20.3 27.5 37 37 A V - 0 0 78 -2,-2.5 3,-0.3 176,-0.4 176,-0.3 -0.923 68.1-102.9-134.6 155.0 36.5 20.8 27.2 38 38 A R S S+ 0 0 145 -2,-0.3 172,-0.2 1,-0.2 174,-0.1 -0.398 88.3 14.9 -90.4 164.3 34.0 18.2 26.0 39 39 A N S S+ 0 0 124 170,-1.9 2,-0.3 172,-0.3 170,-0.2 0.868 87.8 135.8 44.0 57.6 32.2 17.8 22.7 40 40 A T - 0 0 21 -3,-0.3 168,-2.3 168,-0.2 58,-0.4 -0.859 37.4-160.7-126.5 165.6 34.4 20.2 20.6 41 41 A V E + Q 0 207B 33 -2,-0.3 -18,-2.7 166,-0.2 2,-0.3 -0.982 10.8 175.2-136.9 134.9 36.1 20.1 17.1 42 42 A G E +PQ 22 206B 0 164,-2.0 164,-1.5 -2,-0.3 2,-0.3 -0.997 4.1 172.7-139.5 142.0 39.0 22.3 15.9 43 43 A R E -PQ 21 205B 1 -22,-3.0 -22,-2.9 -2,-0.3 2,-0.3 -0.984 12.8-165.9-144.6 155.4 40.8 22.0 12.5 44 44 A A E -PQ 20 204B 0 160,-1.8 160,-2.4 -2,-0.3 2,-0.3 -0.984 9.3-167.9-142.8 133.2 43.4 24.1 10.8 45 45 A L E -PQ 19 203B 3 -26,-2.4 -26,-2.6 -2,-0.3 158,-0.3 -0.912 31.1-105.4-120.6 147.8 44.3 23.8 7.0 46 46 A Y E -P 18 0B 0 156,-2.6 156,-0.2 -2,-0.3 -28,-0.2 -0.540 33.8-127.4 -71.0 139.0 47.2 25.2 5.0 47 47 A S S S+ 0 0 17 -30,-2.5 -1,-0.1 -2,-0.2 -29,-0.1 0.898 85.2 70.8 -54.9 -49.1 45.9 28.2 2.9 48 48 A S S S- 0 0 0 -31,-0.2 154,-0.3 229,-0.1 197,-0.1 -0.535 83.3-123.4 -72.1 135.7 47.2 27.1 -0.6 49 49 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 152,-0.2 -0.449 31.8-141.0 -53.2 145.0 45.6 24.1 -2.4 50 50 A I E -R 200 0B 0 150,-2.9 150,-2.8 -2,-0.1 2,-0.9 -0.932 7.0-126.1-122.8 145.9 48.4 21.6 -3.1 51 51 A H E +R 199 0B 19 -2,-0.4 148,-0.2 148,-0.2 -49,-0.1 -0.799 35.4 166.7 -89.4 106.9 48.7 19.6 -6.3 52 52 A I + 0 0 1 146,-1.8 9,-3.1 -2,-0.9 2,-0.3 0.803 62.1 1.0 -99.9 -33.4 49.0 16.0 -5.3 53 53 A W B -W 60 0C 41 145,-1.3 2,-0.4 7,-0.3 7,-0.3 -0.968 61.8-135.9-146.6 172.0 48.5 14.2 -8.6 54 54 A D > - 0 0 36 5,-2.8 4,-2.8 -2,-0.3 5,-0.4 -0.943 3.0-158.6-132.7 120.1 47.8 14.9 -12.2 55 55 A S T 4 S+ 0 0 73 -2,-0.4 -1,-0.1 2,-0.2 138,-0.0 0.823 91.9 58.4 -66.3 -30.7 45.3 13.3 -14.6 56 56 A K T 4 S+ 0 0 176 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.990 124.6 19.8 -61.8 -54.0 47.0 14.3 -17.8 57 57 A T T 4 S- 0 0 84 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.757 95.1-129.7 -87.3 -23.8 50.2 12.6 -16.9 58 58 A G < + 0 0 32 -4,-2.8 -3,-0.2 1,-0.3 135,-0.1 0.478 59.4 146.0 79.7 2.5 49.0 10.2 -14.3 59 59 A N - 0 0 60 -5,-0.4 -5,-2.8 -6,-0.1 2,-0.3 -0.369 32.9-160.4 -71.8 151.1 51.9 11.4 -12.0 60 60 A V B -W 53 0C 20 -7,-0.3 167,-0.3 -3,-0.1 -7,-0.3 -0.952 21.8-106.4-134.9 145.3 51.5 11.7 -8.2 61 61 A A - 0 0 0 -9,-3.1 2,-0.4 -2,-0.3 165,-0.2 -0.328 13.6-135.6 -67.7 151.6 53.6 13.8 -5.8 62 62 A N E +E 225 0A 72 163,-2.3 163,-2.7 105,-0.1 2,-0.3 -0.845 38.5 173.5 -95.1 144.7 56.2 12.8 -3.3 63 63 A F E -EF 224 166A 8 103,-1.8 103,-3.0 -2,-0.4 2,-0.3 -0.992 23.8-169.3-154.3 158.4 55.7 14.6 0.1 64 64 A V E -EF 223 165A 50 159,-2.2 159,-2.5 -2,-0.3 2,-0.3 -0.991 6.0-179.7-146.0 134.1 56.9 14.8 3.6 65 65 A T E -EF 222 164A 0 99,-2.4 99,-2.5 -2,-0.3 2,-0.4 -0.981 2.8-174.6-129.4 145.0 55.4 16.6 6.6 66 66 A S E +EF 221 163A 43 155,-2.0 155,-2.7 -2,-0.3 2,-0.3 -0.998 11.2 160.3-136.0 144.2 56.8 16.8 10.2 67 67 A F E -EF 220 162A 3 95,-1.9 95,-2.5 -2,-0.4 2,-0.5 -0.985 30.7-136.3-148.5 157.4 55.2 18.3 13.3 68 68 A T E +EF 219 161A 22 151,-1.0 150,-3.2 -2,-0.3 151,-0.9 -0.995 30.2 178.8-118.6 135.0 55.5 18.1 17.0 69 69 A F E -EF 217 160A 3 91,-1.8 91,-2.8 -2,-0.5 2,-0.4 -0.828 18.0-146.7-123.5 168.6 52.2 17.9 19.0 70 70 A V E -E 216 0A 9 146,-2.2 146,-2.5 -2,-0.3 2,-0.5 -0.999 0.8-159.4-134.8 134.5 51.1 17.6 22.6 71 71 A I E -E 215 0A 4 87,-0.5 86,-2.9 -2,-0.4 2,-0.6 -0.973 12.7-171.3-110.0 123.6 48.1 15.9 24.0 72 72 A D E +E 214 0A 80 142,-2.6 142,-2.5 -2,-0.5 84,-0.1 -0.874 8.9 177.9-121.0 98.3 47.2 17.2 27.6 73 73 A A - 0 0 8 -2,-0.6 140,-0.2 140,-0.3 6,-0.1 -0.590 43.6-110.8 -93.3 160.9 44.5 15.3 29.4 74 74 A P S S- 0 0 71 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.780 99.5 -22.9 -56.9 -29.5 43.0 15.7 32.9 75 75 A N S S- 0 0 58 3,-0.5 3,-0.0 0, 0.0 0, 0.0 -0.930 79.1 -87.3-168.3 174.2 44.7 12.3 33.8 76 76 A S S S+ 0 0 59 -2,-0.3 3,-0.2 1,-0.2 78,-0.1 0.260 118.8 46.3 -82.6 13.5 46.0 9.2 31.9 77 77 A Y S S+ 0 0 193 1,-0.2 2,-1.3 0, 0.0 -1,-0.2 0.692 100.3 61.1-118.1 -38.3 42.7 7.4 31.9 78 78 A N S S+ 0 0 71 -3,-0.0 -3,-0.5 45,-0.0 2,-0.4 -0.711 74.4 140.4 -98.5 84.6 40.1 9.9 30.9 79 79 A V - 0 0 1 -2,-1.3 2,-0.3 43,-0.2 134,-0.2 -0.993 30.2-154.1-131.7 130.3 41.4 10.8 27.4 80 80 A A - 0 0 1 -2,-0.4 133,-0.1 43,-0.1 2,-0.1 -0.980 37.7 -27.7-166.6 155.4 39.5 11.5 24.1 81 81 A D - 0 0 6 -2,-0.3 41,-1.9 127,-0.2 42,-0.9 -0.898 64.1-133.1-104.6 -24.9 39.3 11.5 21.2 82 82 A G E -ST 121 207B 0 125,-1.0 125,-1.2 39,-0.3 2,-0.3 -0.915 17.2 -86.9 141.6-167.9 42.6 12.1 19.3 83 83 A F E -ST 120 206B 0 37,-2.4 37,-2.9 -2,-0.3 2,-0.3 -0.932 27.6-158.6-142.9 157.1 44.2 14.0 16.6 84 84 A T E -ST 119 205B 0 121,-2.8 121,-1.7 -2,-0.3 2,-0.5 -0.983 16.8-154.9-142.3 141.3 44.6 13.7 12.8 85 85 A F E +ST 118 204B 4 33,-2.1 33,-2.6 -2,-0.3 2,-0.3 -0.993 40.3 179.5-104.3 129.9 46.8 14.9 9.9 86 86 A F E -ST 117 203B 0 117,-3.0 117,-1.9 -2,-0.5 2,-0.5 -0.921 35.5-149.7-137.8 163.0 44.6 14.7 6.7 87 87 A I E +ST 116 202B 6 29,-2.7 29,-2.0 -2,-0.3 115,-0.2 -0.996 38.2 151.2-124.2 123.5 44.4 15.3 3.0 88 88 A A E - 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