==== 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-93 1LOB . 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) . 33918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 638 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 . 418 46.0 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 . 89 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 6.7 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 . 4 0.4 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 2 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 . 4 6 7 4 8 8 14 8 0 0 4 0 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 0 4 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,-2.5 0, 0.0 238,-0.4 0.000 360.0 360.0 360.0 132.8 1.0 29.6 37.9 2 2 A E E -AB 227 237A 19 225,-2.2 225,-2.7 235,-0.2 2,-0.3 -0.977 360.0-174.4-131.0 140.6 3.9 31.3 36.2 3 3 A T E -AB 226 236A 19 233,-1.9 233,-1.5 -2,-0.4 2,-0.3 -0.949 7.7-172.5-136.3 145.9 7.3 29.8 35.9 4 4 A T E +AB 225 235A 5 221,-1.2 221,-2.0 -2,-0.3 2,-0.3 -0.992 17.2 163.0-136.6 133.6 10.6 31.2 34.6 5 5 A S E +AB 224 234A 15 229,-2.2 229,-2.5 -2,-0.3 2,-0.3 -0.992 5.4 154.6-151.5 156.3 13.7 29.0 34.1 6 6 A F E -AB 223 233A 1 217,-1.4 217,-2.2 -2,-0.3 2,-0.3 -0.932 16.8-160.9-171.2 157.3 17.0 29.1 32.2 7 7 A S E -AB 222 232A 22 225,-1.5 225,-1.7 -2,-0.3 2,-0.4 -0.943 4.3-170.7-147.9 144.0 20.5 27.6 32.4 8 8 A I E +AB 221 231A 0 213,-2.3 213,-2.3 -2,-0.3 223,-0.2 -0.937 7.7 175.6-137.1 98.7 23.7 28.8 30.8 9 9 A T S S+ 0 0 75 221,-2.5 2,-0.3 -2,-0.4 222,-0.1 0.528 77.6 18.6 -78.3 -14.3 26.3 26.1 31.3 10 10 A K S S- 0 0 104 220,-0.5 -1,-0.3 211,-0.1 2,-0.3 -0.864 78.2-137.2-163.2 121.8 28.8 28.0 29.3 11 11 A F - 0 0 0 18,-1.9 18,-0.2 208,-0.3 16,-0.1 -0.664 20.0-161.1 -88.6 138.2 28.7 31.7 28.4 12 12 A G - 0 0 17 -2,-0.3 3,-0.3 17,-0.1 15,-0.0 -0.584 34.7 -98.0-110.6 178.1 29.6 32.7 24.8 13 13 A P S S+ 0 0 98 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.642 117.7 51.1 -70.0 -17.6 30.7 36.1 23.4 14 14 A D + 0 0 71 1,-0.0 2,-1.5 2,-0.0 -2,-0.0 -0.585 66.9 161.4-118.5 72.6 27.2 37.0 22.2 15 15 A Q > + 0 0 6 -2,-0.4 3,-1.5 -3,-0.3 -4,-0.0 -0.565 5.7 170.7 -97.0 81.3 25.0 36.4 25.3 16 16 A Q T 3 + 0 0 76 -2,-1.5 -1,-0.2 1,-0.3 263,-0.0 0.571 65.2 68.1 -74.4 -6.2 21.9 38.3 24.3 17 17 A N T 3 S+ 0 0 2 260,-0.1 30,-3.2 30,-0.0 2,-0.3 0.358 92.4 73.6 -92.4 10.8 19.6 37.1 27.2 18 18 A L E < S-P 46 0B 9 -3,-1.5 2,-0.5 28,-0.3 28,-0.2 -0.861 74.6-141.4-119.3 148.7 21.8 39.0 29.7 19 19 A I E -P 45 0B 55 26,-2.7 26,-2.8 -2,-0.3 2,-0.3 -0.975 21.7-149.5-109.3 123.5 21.8 42.7 30.2 20 20 A F E -P 44 0B 71 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.781 16.1-177.0 -97.5 140.4 25.4 43.9 30.9 21 21 A Q E > -P 43 0B 31 22,-2.9 22,-2.2 -2,-0.3 3,-2.0 -0.934 53.6 -7.1-133.8 159.9 26.1 47.0 33.1 22 22 A G E 3 S-P 42 0B 54 -2,-0.3 20,-0.3 1,-0.2 -2,-0.0 -0.351 128.5 -28.9 55.5-127.5 29.3 48.8 34.1 23 23 A D T 3 S+ 0 0 103 18,-2.8 -1,-0.2 10,-0.2 19,-0.2 0.165 96.9 129.9-106.2 23.9 32.2 46.7 32.8 24 24 A G < + 0 0 9 -3,-2.0 2,-0.3 19,-0.3 9,-0.2 -0.496 26.6 150.6 -76.9 140.5 30.7 43.2 32.9 25 25 A Y E -C 32 0A 85 7,-2.2 7,-2.9 -2,-0.2 2,-0.3 -0.939 42.5-107.5-156.6 179.8 31.1 41.2 29.7 26 26 A T E +C 31 0A 12 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.854 42.9 152.4-120.1 138.8 31.3 37.6 28.6 27 27 A T E > +C 30 0A 60 3,-2.9 3,-1.8 -2,-0.3 -16,-0.1 -0.876 56.1 11.5-170.0 144.1 34.6 36.0 27.3 28 28 A K T 3 S- 0 0 185 1,-0.3 3,-0.1 -2,-0.3 -16,-0.1 0.879 129.1 -56.1 53.3 43.7 36.4 32.6 27.0 29 29 A E T 3 S+ 0 0 65 -18,-0.2 -18,-1.9 1,-0.2 2,-0.3 0.497 120.6 105.8 68.8 11.3 33.2 30.8 28.0 30 30 A R E < S-C 27 0A 75 -3,-1.8 -3,-2.9 -20,-0.2 2,-0.6 -0.794 71.0-132.2-121.1 147.8 33.0 32.9 31.2 31 31 A L E -CD 26 218A 0 187,-3.1 187,-2.6 -2,-0.3 2,-0.6 -0.929 31.4-159.8 -90.4 118.4 30.9 35.8 32.4 32 32 A T E +CD 25 217A 2 -7,-2.9 -7,-2.2 -2,-0.6 185,-0.2 -0.872 21.0 175.1-107.1 121.9 33.5 38.2 33.7 33 33 A L E S+ 0 0 0 183,-2.7 2,-0.3 -2,-0.6 -10,-0.2 0.902 74.6 4.4 -83.4 -39.2 32.1 40.8 36.1 34 34 A T E - D 0 216A 3 182,-1.1 182,-1.9 174,-0.1 -1,-0.4 -0.978 64.8-144.0-141.2 142.3 35.5 42.3 37.0 35 35 A K - 0 0 119 -2,-0.3 2,-2.3 180,-0.2 179,-0.4 -0.600 52.9 -82.8 -90.1 176.3 39.0 41.7 35.7 36 36 A A S S+ 0 0 47 -2,-0.2 2,-0.3 177,-0.1 179,-0.2 -0.454 93.8 117.9 -84.9 77.7 41.8 42.0 38.3 37 37 A V - 0 0 64 -2,-2.3 3,-0.4 177,-0.3 177,-0.3 -0.948 65.8-102.1-145.5 146.5 41.9 45.8 37.9 38 38 A R S S+ 0 0 138 -2,-0.3 173,-0.2 1,-0.2 175,-0.1 -0.263 89.9 14.2 -72.3 162.9 41.3 48.6 40.4 39 39 A N S S+ 0 0 126 171,-2.1 2,-0.3 173,-0.2 -1,-0.2 0.763 86.5 137.6 52.7 40.9 38.1 50.8 40.7 40 40 A T - 0 0 15 -3,-0.4 169,-2.2 -5,-0.1 58,-0.4 -0.801 35.5-166.2-121.1 165.6 35.6 48.7 38.6 41 41 A V E + Q 0 208B 32 -2,-0.3 -18,-2.8 167,-0.2 2,-0.4 -0.981 12.3 177.6-138.7 128.3 31.9 47.7 38.8 42 42 A G E +PQ 22 207B 0 165,-2.7 165,-1.7 -2,-0.4 2,-0.3 -0.998 2.1 173.2-134.1 136.6 30.5 45.0 36.6 43 43 A R E -PQ 21 206B 1 -22,-2.2 -22,-2.9 -2,-0.4 2,-0.4 -0.976 13.0-166.2-135.0 154.0 26.9 43.6 36.7 44 44 A A E -PQ 20 205B 0 161,-2.1 161,-2.2 -2,-0.3 2,-0.3 -0.987 9.2-167.3-135.0 132.2 24.9 41.2 34.5 45 45 A L E -PQ 19 204B 2 -26,-2.8 -26,-2.7 -2,-0.4 159,-0.2 -0.875 29.7-111.2-115.5 144.4 21.1 40.9 34.7 46 46 A Y E -P 18 0B 0 157,-2.1 -28,-0.3 -2,-0.3 157,-0.2 -0.606 32.8-128.5 -66.9 140.1 18.8 38.1 33.2 47 47 A S S S+ 0 0 14 -30,-3.2 -1,-0.1 -2,-0.2 -29,-0.1 0.877 84.2 77.7 -66.2 -37.8 16.8 39.9 30.4 48 48 A S S S- 0 0 0 -31,-0.3 155,-0.3 230,-0.1 198,-0.1 -0.616 80.7-127.9 -76.8 130.2 13.3 38.7 31.5 49 49 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 153,-0.2 -0.418 29.7-142.0 -52.6 142.8 11.5 40.5 34.6 50 50 A I E -R 201 0B 0 151,-2.9 151,-2.3 -46,-0.0 2,-1.0 -0.934 8.1-125.0-119.4 145.5 10.5 37.7 36.9 51 51 A H E +R 200 0B 16 -2,-0.4 149,-0.3 149,-0.2 -49,-0.1 -0.756 34.1 171.1 -83.7 102.5 7.2 37.7 38.9 52 52 A I - 0 0 4 147,-2.3 9,-3.0 -2,-1.0 2,-0.3 0.816 63.6 -5.6 -91.2 -29.1 8.3 37.2 42.4 53 53 A W B -W 60 0C 39 146,-1.5 2,-0.5 7,-0.3 -1,-0.2 -0.975 64.3-130.9-154.9 169.2 5.0 37.8 44.2 54 54 A D > - 0 0 33 5,-2.6 4,-2.7 -2,-0.3 5,-0.3 -0.972 4.6-161.6-130.9 126.0 1.5 38.9 43.3 55 55 A S T 4 S+ 0 0 70 -2,-0.5 -1,-0.1 2,-0.2 5,-0.0 0.864 90.6 63.3 -75.2 -29.4 -0.5 41.6 45.0 56 56 A K T 4 S+ 0 0 149 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.917 125.9 13.9 -62.7 -36.1 -3.8 40.3 43.6 57 57 A T T 4 S- 0 0 86 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.639 93.7-127.9-113.3 -14.8 -3.5 37.0 45.5 58 58 A G < + 0 0 26 -4,-2.7 -3,-0.2 1,-0.3 2,-0.1 0.496 60.1 143.9 74.2 2.9 -0.7 37.7 48.0 59 59 A N - 0 0 58 -5,-0.3 -5,-2.6 -6,-0.1 2,-0.3 -0.453 35.1-156.2 -70.0 146.3 1.2 34.6 46.7 60 60 A V B -W 53 0C 22 -7,-0.2 168,-0.4 -3,-0.1 -7,-0.3 -0.920 19.0-107.6-124.4 154.0 4.9 34.7 46.6 61 61 A A - 0 0 0 -9,-3.0 2,-0.3 -2,-0.3 166,-0.3 -0.453 13.0-137.8 -77.1 147.4 7.2 32.5 44.4 62 62 A N E +E 226 0A 76 164,-2.4 164,-2.2 -2,-0.1 2,-0.3 -0.785 35.5 170.7 -87.7 142.1 9.4 29.6 45.3 63 63 A F E -EF 225 166A 7 103,-1.5 103,-2.8 -2,-0.3 2,-0.3 -0.991 20.6-170.3-149.0 158.2 12.8 29.9 43.4 64 64 A V E -EF 224 165A 43 160,-2.2 160,-2.1 -2,-0.3 2,-0.3 -0.983 6.6-174.3-140.8 145.7 16.2 28.2 43.4 65 65 A T E -EF 223 164A 0 99,-2.7 99,-2.6 -2,-0.3 2,-0.3 -0.984 3.2-169.3-139.1 148.7 19.3 29.3 41.6 66 66 A S E +EF 222 163A 37 156,-2.5 156,-2.4 -2,-0.3 2,-0.3 -0.961 14.4 160.4-131.5 148.2 22.7 27.6 41.3 67 67 A F E -EF 221 162A 4 95,-2.0 95,-2.9 -2,-0.3 2,-0.4 -0.969 27.9-140.4-157.5 155.8 26.0 29.1 39.8 68 68 A T E +EF 220 161A 22 152,-1.3 151,-2.9 -2,-0.3 152,-1.0 -0.988 27.4 177.3-122.2 144.1 29.7 28.4 40.0 69 69 A F E -EF 218 160A 2 91,-2.0 91,-2.5 -2,-0.4 2,-0.4 -0.897 20.9-145.7-141.5 164.1 32.2 31.2 40.3 70 70 A V E -EF 217 159A 4 147,-2.2 147,-2.3 -2,-0.3 2,-0.5 -0.993 2.0-162.0-130.5 132.5 35.9 31.9 40.6 71 71 A I E -E 216 0A 2 87,-0.5 86,-3.0 -2,-0.4 2,-0.5 -0.994 15.5-172.5-108.8 123.6 37.6 34.8 42.5 72 72 A D E +E 215 0A 76 143,-2.5 143,-2.8 -2,-0.5 84,-0.1 -0.936 9.4 171.8-119.4 110.3 41.1 35.1 41.3 73 73 A A - 0 0 8 -2,-0.5 141,-0.2 141,-0.3 6,-0.1 -0.794 47.0-106.5-117.8 159.8 43.3 37.6 43.2 74 74 A P S S- 0 0 78 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.831 99.9 -26.1 -48.0 -37.0 47.2 38.4 43.1 75 75 A N S S- 0 0 64 3,-0.5 3,-0.1 -3,-0.0 -3,-0.0 -0.934 76.7 -87.9-166.6 171.2 47.5 36.6 46.4 76 76 A S S S+ 0 0 64 -2,-0.3 3,-0.2 1,-0.2 78,-0.1 0.423 116.3 56.1 -73.1 -4.0 45.3 35.8 49.4 77 77 A Y S S+ 0 0 194 1,-0.2 2,-1.1 -4,-0.0 -1,-0.2 0.876 101.3 48.9 -94.2 -46.3 46.0 39.0 51.2 78 78 A N S S+ 0 0 76 -3,-0.1 -3,-0.5 45,-0.0 2,-0.4 -0.777 76.9 138.5-100.3 89.6 45.1 41.7 48.9 79 79 A V - 0 0 1 -2,-1.1 2,-0.3 43,-0.2 135,-0.2 -0.999 31.5-155.8-133.4 128.0 41.7 40.7 47.7 80 80 A A - 0 0 1 -2,-0.4 2,-0.2 133,-0.1 18,-0.0 -0.979 33.1 -17.9-162.9 162.6 38.7 43.0 47.2 81 81 A D - 0 0 5 -2,-0.3 41,-1.3 132,-0.2 42,-0.9 -0.916 65.0-126.8-101.8 -25.6 35.7 43.6 47.0 82 82 A G E -ST 121 208B 0 126,-1.0 126,-1.5 39,-0.2 2,-0.3 -0.857 11.9 -93.0 142.1-178.7 33.3 40.8 46.4 83 83 A F E -ST 120 207B 0 37,-1.5 37,-2.6 -2,-0.3 2,-0.3 -0.943 27.9-165.7-136.9 145.8 30.5 39.3 44.4 84 84 A T E -ST 119 206B 0 122,-2.4 122,-1.3 -2,-0.3 2,-0.5 -0.948 19.1-154.4-139.1 150.2 26.6 39.4 44.8 85 85 A F E -ST 118 205B 2 33,-2.0 33,-2.4 -2,-0.3 2,-0.3 -0.988 39.6-178.9-111.8 130.6 23.6 37.6 43.5 86 86 A F E -ST 117 204B 0 118,-2.6 118,-2.2 -2,-0.5 2,-0.4 -0.896 32.8-150.2-135.1 164.0 20.8 40.2 43.8 87 87 A I E +ST 116 203B 4 29,-2.4 29,-1.8 -2,-0.3 116,-0.2 -0.994 37.1 151.2-126.6 129.6 17.1 40.7 43.2 88 88 A A E - 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