==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 27-JAN-93 1LOA . COMPND 2 MOLECULE: LEGUME ISOLECTIN I (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: LATHYRUS OCHRUS; . AUTHOR Y.BOURNE,C.CAMBILLAU . 908 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 622 68.5 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 . 413 45.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 80 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 3 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 5 7 5 8 7 17 5 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 3 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 T 0 0 56 0, 0.0 237,-2.4 0, 0.0 238,-0.8 0.000 360.0 360.0 360.0 151.4 0.8 29.5 38.0 2 2 A E E -AB 227 237A 22 225,-1.3 225,-2.0 235,-0.2 2,-0.3 -0.951 360.0-175.0-150.0 132.6 3.7 31.2 36.2 3 3 A T E -AB 226 236A 17 233,-2.0 233,-1.0 -2,-0.3 2,-0.4 -0.914 13.1-170.0-133.3 154.4 7.3 29.9 35.9 4 4 A T E +AB 225 235A 5 221,-1.7 221,-2.2 -2,-0.3 2,-0.3 -0.966 20.3 165.2-136.9 133.4 10.6 31.3 34.5 5 5 A S E +AB 224 234A 19 229,-2.0 229,-2.5 -2,-0.4 2,-0.3 -0.986 1.1 152.8-150.1 145.2 13.6 28.8 34.2 6 6 A F E -AB 223 233A 2 217,-2.1 217,-2.2 -2,-0.3 2,-0.3 -0.960 18.4-161.1-165.3 160.3 16.8 29.0 32.3 7 7 A S E -AB 222 232A 21 225,-1.9 225,-1.7 -2,-0.3 2,-0.4 -0.970 4.9-169.0-153.1 151.7 20.5 27.7 32.4 8 8 A I E +AB 221 231A 0 213,-2.2 213,-2.9 -2,-0.3 223,-0.2 -0.938 9.6 172.1-148.6 113.7 23.7 28.7 30.9 9 9 A T S S+ 0 0 71 221,-1.8 2,-0.3 -2,-0.4 222,-0.1 0.484 75.1 24.9-101.1 -19.6 26.4 26.3 31.3 10 10 A K S S- 0 0 111 220,-0.5 2,-0.5 211,-0.1 -1,-0.3 -0.874 83.4-129.7-151.8 115.1 29.0 27.9 29.0 11 11 A F - 0 0 0 18,-2.6 18,-0.5 -2,-0.3 19,-0.1 -0.603 21.8-150.5 -78.4 118.7 28.9 31.8 28.4 12 12 A G - 0 0 12 -2,-0.5 3,-0.5 17,-0.1 -1,-0.0 -0.161 23.4-116.6 -73.4 169.8 29.0 32.8 24.7 13 13 A P S S+ 0 0 92 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.701 117.7 45.5 -76.6 -19.9 30.5 36.1 23.5 14 14 A D S S+ 0 0 75 3,-0.0 2,-2.1 1,-0.0 -2,-0.1 -0.539 74.1 161.9-117.2 67.8 27.1 37.1 22.1 15 15 A Q > + 0 0 3 -3,-0.5 3,-1.7 -2,-0.3 -4,-0.0 -0.424 11.0 176.9 -85.2 72.3 25.1 36.1 25.2 16 16 A Q T 3 + 0 0 70 -2,-2.1 -1,-0.2 1,-0.3 263,-0.0 0.477 63.7 67.5 -69.2 2.3 22.1 38.1 24.3 17 17 A N T 3 S+ 0 0 2 260,-0.1 30,-3.2 -3,-0.1 2,-0.3 0.362 89.9 78.2-103.1 12.8 19.7 37.1 27.1 18 18 A L E < S-P 46 0B 10 -3,-1.7 2,-0.5 28,-0.3 28,-0.2 -0.748 72.9-141.9-108.6 154.8 21.9 38.9 29.7 19 19 A I E -P 45 0B 58 26,-2.2 26,-2.3 -2,-0.3 2,-0.4 -0.995 21.8-150.1-118.4 122.9 21.9 42.7 30.2 20 20 A F E +P 44 0B 70 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.825 18.1 177.4 -98.8 139.3 25.4 43.9 30.9 21 21 A Q E > +P 43 0B 32 22,-1.8 22,-2.4 -2,-0.4 3,-1.4 -0.947 54.6 0.8-138.0 155.0 26.2 47.0 33.0 22 22 A G E 3 S-P 42 0B 51 -2,-0.3 20,-0.3 20,-0.2 -2,-0.1 -0.451 127.4 -34.0 72.4-134.6 29.4 48.5 34.1 23 23 A D T 3 S+ 0 0 104 18,-2.3 2,-0.4 10,-0.3 -1,-0.2 -0.146 97.5 132.4-112.1 33.6 32.4 46.6 32.7 24 24 A G < + 0 0 6 -3,-1.4 2,-0.3 19,-0.2 9,-0.2 -0.725 27.4 153.0 -89.6 134.6 30.7 43.2 32.9 25 25 A Y E -C 32 0A 89 7,-2.5 7,-2.7 -2,-0.4 2,-0.3 -0.991 43.2-104.3-158.9 163.6 31.1 41.3 29.7 26 26 A T E +C 31 0A 16 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.682 43.2 158.2-100.8 137.7 31.2 37.8 28.5 27 27 A T E > +C 30 0A 53 3,-2.8 3,-1.9 -2,-0.3 -16,-0.1 -0.899 54.0 2.0-159.0 135.8 34.4 36.1 27.4 28 28 A K T 3 S- 0 0 181 1,-0.3 -17,-0.1 -2,-0.2 -16,-0.1 0.919 125.3 -57.9 62.2 43.3 36.1 32.6 26.9 29 29 A E T 3 S+ 0 0 48 -18,-0.5 -18,-2.6 1,-0.2 -1,-0.3 0.533 122.8 108.1 58.6 12.1 32.9 30.8 27.8 30 30 A R E < S-C 27 0A 69 -3,-1.9 -3,-2.8 -20,-0.2 2,-0.6 -0.744 70.2-132.1-112.9 151.1 33.1 32.7 31.1 31 31 A L E -CD 26 218A 0 187,-3.0 187,-2.7 -2,-0.3 2,-0.5 -0.951 29.0-161.4 -95.7 114.2 30.9 35.7 32.4 32 32 A T E +CD 25 217A 2 -7,-2.7 -7,-2.5 -2,-0.6 185,-0.2 -0.879 24.5 171.2-106.3 134.0 33.4 38.2 33.7 33 33 A L E S+ 0 0 0 183,-2.3 2,-0.3 -2,-0.5 -10,-0.3 0.701 75.7 9.3-101.1 -30.4 32.2 40.9 36.1 34 34 A T E - D 0 216A 2 182,-1.3 182,-1.5 172,-0.1 -1,-0.4 -0.996 62.8-149.0-146.4 143.3 35.7 42.2 37.0 35 35 A K - 0 0 112 -2,-0.3 2,-2.8 180,-0.2 179,-0.4 -0.536 57.1 -76.2 -94.8-176.4 39.2 41.6 35.7 36 36 A A S S+ 0 0 49 -2,-0.2 2,-0.3 177,-0.1 179,-0.2 -0.363 96.0 118.9 -80.8 76.0 42.0 41.9 38.2 37 37 A V > - 0 0 70 -2,-2.8 3,-0.6 177,-0.3 177,-0.3 -0.947 64.5-101.9-146.3 149.0 41.8 45.7 38.1 38 38 A R T 3 S+ 0 0 141 -2,-0.3 173,-0.2 1,-0.2 -3,-0.1 -0.256 90.9 11.2 -69.0 159.2 41.2 48.6 40.3 39 39 A N T 3 S+ 0 0 127 171,-1.7 2,-0.2 173,-0.2 -1,-0.2 0.654 84.4 146.3 46.3 44.0 38.0 50.6 40.5 40 40 A T < - 0 0 7 -3,-0.6 169,-2.1 -5,-0.1 58,-0.4 -0.620 30.7-172.2-106.7 161.2 35.6 48.4 38.5 41 41 A V E + Q 0 208B 29 167,-0.2 -18,-2.3 -2,-0.2 2,-0.4 -0.956 12.8 174.5-140.8 125.7 31.9 47.7 38.8 42 42 A G E +PQ 22 207B 0 165,-2.4 165,-1.7 -2,-0.4 2,-0.3 -0.997 3.0 169.3-131.8 141.9 30.5 45.0 36.6 43 43 A R E -PQ 21 206B 2 -22,-2.4 -22,-1.8 -2,-0.4 2,-0.3 -0.940 12.8-171.1-140.2 164.9 26.9 43.7 36.7 44 44 A A E -PQ 20 205B 0 161,-2.1 161,-2.0 -2,-0.3 2,-0.3 -0.902 5.3-169.0-157.8 136.7 24.7 41.4 34.5 45 45 A L E -PQ 19 204B 2 -26,-2.3 -26,-2.2 -2,-0.3 159,-0.2 -0.894 32.4-106.6-124.6 147.3 21.0 40.8 34.9 46 46 A Y E -P 18 0B 0 157,-1.5 157,-0.3 -2,-0.3 -28,-0.3 -0.581 36.4-122.1 -70.0 142.8 18.9 38.1 33.1 47 47 A S S S+ 0 0 15 -30,-3.2 -1,-0.1 -2,-0.2 -29,-0.1 0.681 84.9 78.1 -65.7 -18.5 16.8 39.9 30.5 48 48 A S S S- 0 0 0 -31,-0.3 155,-0.3 230,-0.1 -2,-0.1 -0.810 79.2-125.6-100.7 137.5 13.3 38.8 31.6 49 49 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 153,-0.2 -0.479 30.6-144.6 -50.6 135.8 11.5 40.4 34.6 50 50 A I E -R 201 0B 0 151,-2.3 151,-1.6 -2,-0.1 2,-1.2 -0.926 10.8-124.1-112.5 141.9 10.5 37.5 36.8 51 51 A H E +R 200 0B 16 -2,-0.4 149,-0.2 149,-0.2 148,-0.1 -0.647 35.0 172.4 -77.8 94.9 7.1 37.6 38.8 52 52 A I - 0 0 1 147,-1.4 9,-2.1 -2,-1.2 2,-0.3 0.708 62.9 -9.6 -83.7 -18.3 8.3 37.2 42.4 53 53 A W B -W 60 0C 39 146,-1.3 2,-0.4 7,-0.2 7,-0.2 -0.977 64.0-132.8-164.9 167.9 4.9 37.8 44.2 54 54 A D >> - 0 0 35 5,-2.2 4,-2.8 -2,-0.3 3,-1.1 -0.966 4.2-157.9-137.9 127.3 1.5 39.0 43.3 55 55 A S T 34 S+ 0 0 76 -2,-0.4 -1,-0.1 1,-0.3 5,-0.0 0.850 91.5 68.9 -72.9 -29.3 -0.6 41.6 45.1 56 56 A K T 34 S+ 0 0 150 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.715 123.2 9.8 -66.0 -18.3 -3.8 40.3 43.6 57 57 A T T <4 S- 0 0 90 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.532 94.4-119.8-131.9 -13.1 -3.5 37.0 45.7 58 58 A G < + 0 0 28 -4,-2.8 2,-0.2 1,-0.3 -3,-0.2 0.431 63.5 147.5 85.7 0.6 -0.7 37.6 48.2 59 59 A N - 0 0 58 -5,-0.4 -5,-2.2 -6,-0.1 2,-0.3 -0.431 31.0-163.4 -71.5 133.4 1.2 34.6 46.7 60 60 A V B -W 53 0C 26 -7,-0.2 168,-0.4 -2,-0.2 -7,-0.2 -0.814 20.4-111.9-118.7 156.9 4.9 34.8 46.7 61 61 A A - 0 0 0 -9,-2.1 2,-0.4 -2,-0.3 166,-0.2 -0.480 10.1-132.4 -84.5 155.3 7.1 32.5 44.5 62 62 A N E +E 226 0A 75 164,-2.5 164,-2.3 -2,-0.2 2,-0.3 -0.821 32.7 174.8 -97.4 144.7 9.5 29.8 45.2 63 63 A F E -EF 225 166A 8 103,-1.2 103,-2.6 -2,-0.4 2,-0.3 -0.995 17.0-171.0-142.4 155.8 12.9 30.0 43.4 64 64 A V E +EF 224 165A 43 160,-2.4 160,-2.2 -2,-0.3 2,-0.3 -0.988 10.3 179.9-133.4 147.1 16.1 28.1 43.4 65 65 A T E -EF 223 164A 0 99,-2.3 99,-2.1 -2,-0.3 2,-0.3 -0.993 5.8-172.6-141.9 151.6 19.4 29.2 41.6 66 66 A S E +EF 222 163A 38 156,-2.4 156,-2.7 -2,-0.3 2,-0.3 -0.968 11.2 160.4-136.1 152.8 22.9 27.7 41.3 67 67 A F E -EF 221 162A 2 95,-1.4 95,-2.9 -2,-0.3 2,-0.4 -0.945 27.5-140.6-158.4 156.9 26.1 29.1 39.8 68 68 A T E +EF 220 161A 18 152,-0.8 151,-2.0 -2,-0.3 152,-1.0 -0.942 29.4 177.1-119.6 153.1 29.8 28.3 40.1 69 69 A F E -EF 218 160A 2 91,-1.5 91,-1.0 -2,-0.4 2,-0.4 -0.954 23.0-141.9-150.9 165.8 32.2 31.2 40.2 70 70 A V E -E 217 0A 7 147,-2.6 147,-2.3 -2,-0.3 2,-0.5 -0.979 2.9-164.9-132.6 136.4 35.9 32.0 40.6 71 71 A I E -E 216 0A 3 87,-0.4 86,-1.7 -2,-0.4 2,-0.5 -0.998 20.2-171.3-110.9 125.8 37.4 35.0 42.6 72 72 A D E +E 215 0A 73 143,-2.8 143,-2.7 -2,-0.5 84,-0.1 -0.938 9.8 169.6-130.4 120.0 41.0 35.1 41.3 73 73 A A - 0 0 6 -2,-0.5 141,-0.2 141,-0.2 6,-0.1 -0.818 47.3-106.0-131.9 156.1 43.3 37.4 43.1 74 74 A P S S- 0 0 79 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.666 98.9 -23.0 -64.4 -18.1 47.1 38.0 43.1 75 75 A N S S- 0 0 61 3,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.943 74.5 -93.1-173.6 177.2 47.4 36.4 46.5 76 76 A S S S+ 0 0 66 -2,-0.3 3,-0.2 1,-0.1 78,-0.1 0.666 113.8 59.3 -82.6 -15.9 45.2 35.7 49.4 77 77 A Y S S+ 0 0 201 1,-0.2 2,-1.2 -4,-0.0 -1,-0.1 0.991 103.3 45.1 -76.5 -55.9 46.0 38.9 51.3 78 78 A N S S+ 0 0 73 45,-0.0 2,-0.4 2,-0.0 135,-0.3 -0.676 75.8 133.9 -94.9 91.7 45.1 41.6 48.9 79 79 A V - 0 0 1 -2,-1.2 2,-0.3 43,-0.3 135,-0.2 -0.994 33.5-158.0-134.2 134.7 41.7 40.7 47.5 80 80 A A - 0 0 1 -2,-0.4 2,-0.2 43,-0.1 134,-0.1 -0.955 34.1 -5.5-162.4 161.0 38.7 43.0 47.1 81 81 A D - 0 0 6 -2,-0.3 41,-1.6 132,-0.2 42,-0.9 -0.857 63.8-117.4-103.0 -39.1 35.7 43.6 46.9 82 82 A G E -ST 121 208B 0 126,-0.8 126,-1.3 39,-0.2 2,-0.3 -0.960 10.6-111.1 161.6-175.5 33.1 40.9 46.5 83 83 A F E -ST 120 207B 2 37,-1.2 37,-2.3 -2,-0.3 2,-0.3 -0.920 26.9-168.4-147.5 159.0 30.4 39.4 44.4 84 84 A T E -ST 119 206B 0 122,-1.7 122,-0.9 -2,-0.3 2,-0.4 -0.990 25.0-150.3-152.6 152.8 26.6 39.3 44.8 85 85 A F E +ST 118 205B 1 33,-2.2 33,-2.5 -2,-0.3 2,-0.3 -0.980 39.4 178.6-116.3 140.9 23.4 37.7 43.5 86 86 A F E -ST 117 204B 0 118,-1.8 118,-1.3 -2,-0.4 2,-0.4 -0.951 30.9-144.8-143.2 152.0 20.7 40.4 44.0 87 87 A I E +ST 116 203B 3 29,-2.3 29,-1.4 -2,-0.3 116,-0.2 -0.957 39.0 153.7-115.3 137.3 16.9 40.8 43.4 88 88 A A E - 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