==== 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 1LOE . COMPND 2 MOLECULE: LEGUME ISOLECTIN I (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: LATHYRUS OCHRUS; . AUTHOR Y.BOURNE,C.CAMBILLAU . 454 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 70.5 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 . 208 45.8 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 . 47 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.4 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 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 46 0, 0.0 236,-2.6 0, 0.0 237,-0.6 0.000 360.0 360.0 360.0 128.8 57.0 20.0 -11.4 2 2 A E E +AB 226 236A 12 224,-1.5 224,-2.9 234,-0.2 2,-0.3 -0.975 360.0 180.0-135.2 132.4 54.8 21.6 -8.8 3 3 A T E -AB 225 235A 18 232,-2.3 232,-1.8 -2,-0.4 2,-0.3 -0.985 11.3-177.9-136.1 148.9 56.1 22.0 -5.4 4 4 A T E +AB 224 234A 4 220,-1.1 220,-2.0 -2,-0.3 2,-0.3 -0.981 14.4 163.9-143.1 130.7 54.6 23.5 -2.2 5 5 A S E +AB 223 233A 11 228,-2.5 228,-2.4 -2,-0.3 2,-0.3 -0.989 2.6 160.7-146.0 154.3 56.4 23.8 1.1 6 6 A F E -AB 222 232A 0 216,-2.0 216,-2.3 -2,-0.3 2,-0.3 -0.962 16.3-159.9-162.0 160.1 56.0 25.6 4.3 7 7 A S E -AB 221 231A 17 224,-2.0 224,-1.9 -2,-0.3 2,-0.5 -0.983 4.4-171.1-146.9 137.9 57.1 25.6 7.9 8 8 A I E +AB 220 230A 2 212,-2.4 212,-2.6 -2,-0.3 222,-0.2 -0.991 5.6 178.3-123.1 112.1 55.6 27.2 11.0 9 9 A T S S+ 0 0 70 220,-2.5 2,-0.3 -2,-0.5 221,-0.1 0.743 77.7 10.5 -83.4 -28.7 58.0 26.8 14.0 10 10 A K S S- 0 0 93 219,-0.4 2,-0.5 210,-0.1 -1,-0.4 -0.958 82.7-123.8-152.6 134.3 55.8 28.8 16.4 11 11 A F - 0 0 2 18,-2.5 18,-0.4 -2,-0.3 19,-0.1 -0.711 25.6-149.9 -90.6 131.5 52.2 29.8 15.7 12 12 A G - 0 0 21 -2,-0.5 3,-0.3 17,-0.1 14,-0.0 -0.450 29.7 -96.7 -92.8 169.5 51.5 33.5 16.0 13 13 A P S S+ 0 0 129 0, 0.0 2,-0.5 0, 0.0 13,-0.2 0.731 118.5 36.0 -56.1 -32.2 48.2 35.2 17.0 14 14 A D S S+ 0 0 98 3,-0.0 2,-1.7 0, 0.0 3,-0.1 -0.768 71.5 178.7-125.5 85.1 47.0 35.9 13.5 15 15 A Q > + 0 0 4 -2,-0.5 3,-1.5 -3,-0.3 -4,-0.0 -0.631 5.1 176.7 -91.2 84.0 48.2 32.9 11.5 16 16 A Q T 3 + 0 0 66 -2,-1.7 -1,-0.2 1,-0.3 262,-0.0 0.594 68.8 64.3 -71.4 -13.7 46.7 34.0 8.2 17 17 A N T 3 S+ 0 0 3 259,-0.1 30,-2.8 -3,-0.1 2,-0.4 0.328 94.5 77.7 -89.5 12.0 48.0 31.1 6.0 18 18 A L E < S-P 46 0B 10 -3,-1.5 2,-0.5 28,-0.2 28,-0.2 -0.911 71.0-147.2-115.9 147.0 45.9 28.7 8.1 19 19 A I E -P 45 0B 50 26,-2.3 26,-2.5 -2,-0.4 2,-0.4 -0.954 20.6-150.6-104.8 130.4 42.0 28.3 7.7 20 20 A F E -P 44 0B 74 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.858 14.1-175.3-108.1 145.1 40.4 27.4 11.1 21 21 A Q E > -P 43 0B 35 22,-2.8 22,-2.8 -2,-0.4 3,-1.6 -0.961 56.5 -10.8-135.9 147.1 37.3 25.4 11.5 22 22 A G E 3 S-P 42 0B 58 -2,-0.3 20,-0.3 20,-0.2 -2,-0.0 -0.428 129.7 -22.1 62.6-132.5 35.3 24.6 14.6 23 23 A D T 3 S+ 0 0 80 18,-2.7 -1,-0.2 10,-0.2 19,-0.2 0.284 95.7 134.8 -88.5 3.9 37.2 25.7 17.8 24 24 A G < + 0 0 8 -3,-1.6 2,-0.3 19,-0.2 9,-0.2 -0.366 23.9 141.1 -61.7 131.7 40.6 25.6 16.2 25 25 A Y E -C 32 0A 88 7,-2.4 7,-3.3 2,-0.1 2,-0.4 -0.952 48.3-106.5-155.7-177.1 42.7 28.7 17.1 26 26 A T E +C 31 0A 18 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.885 35.7 171.0-121.7 133.3 46.2 29.7 17.9 27 27 A T E > -C 30 0A 56 3,-2.9 3,-1.8 -2,-0.4 -16,-0.1 -0.956 60.7 -12.4-150.9 124.1 47.2 30.6 21.5 28 28 A K T 3 S- 0 0 147 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.926 128.8 -40.7 56.7 71.7 50.6 31.2 22.9 29 29 A E T 3 S+ 0 0 102 -18,-0.4 -18,-2.5 1,-0.1 2,-0.3 0.384 122.7 99.9 64.3 -7.3 53.0 29.9 20.2 30 30 A R E < -C 27 0A 51 -3,-1.8 -3,-2.9 -20,-0.2 2,-0.6 -0.813 69.3-136.4-121.9 150.0 50.6 26.9 19.7 31 31 A L E -CD 26 217A 0 186,-2.7 186,-2.5 -2,-0.3 2,-0.6 -0.860 28.7-163.2 -93.8 121.5 47.8 25.8 17.4 32 32 A T E +CD 25 216A 2 -7,-3.3 -7,-2.4 -2,-0.6 184,-0.2 -0.952 18.5 177.7-116.3 119.4 45.1 24.3 19.6 33 33 A L E S+ 0 0 0 182,-2.6 2,-0.4 -2,-0.6 -10,-0.2 0.874 74.5 17.4 -80.4 -44.0 42.6 22.2 17.9 34 34 A T E - D 0 215A 1 181,-1.5 181,-1.9 173,-0.1 -1,-0.3 -0.978 64.2-143.5-135.5 144.6 40.8 21.4 21.1 35 35 A K - 0 0 96 -2,-0.4 2,-2.9 179,-0.2 178,-0.4 -0.596 50.2 -92.6 -87.2 161.2 40.6 22.9 24.6 36 36 A A S S+ 0 0 37 -2,-0.2 2,-0.3 176,-0.1 178,-0.2 -0.320 91.0 122.6 -74.6 67.5 40.3 20.3 27.5 37 37 A V - 0 0 68 -2,-2.9 3,-0.5 176,-0.4 176,-0.3 -0.910 66.1 -99.7-132.8 148.6 36.5 20.7 27.2 38 38 A R S S+ 0 0 139 -2,-0.3 172,-0.2 1,-0.2 174,-0.1 -0.339 89.8 3.5 -79.8 150.5 33.8 18.2 26.5 39 39 A N S S+ 0 0 120 170,-2.5 2,-0.2 172,-0.3 -1,-0.2 0.808 89.1 137.5 51.4 50.7 32.2 17.5 23.1 40 40 A T - 0 0 19 -3,-0.5 168,-1.9 -5,-0.1 58,-0.3 -0.761 36.8-156.9-119.9 171.6 34.2 19.9 20.8 41 41 A V E + Q 0 207B 35 -2,-0.2 -18,-2.7 166,-0.2 2,-0.3 -0.987 12.5 174.7-139.6 141.3 35.8 19.8 17.3 42 42 A G E +PQ 22 206B 0 164,-2.0 164,-1.8 -2,-0.3 2,-0.3 -0.974 0.9 174.1-149.6 138.4 38.6 21.9 15.9 43 43 A R E -PQ 21 205B 2 -22,-2.8 -22,-2.8 -2,-0.3 2,-0.3 -0.968 10.9-166.4-140.6 157.9 40.4 21.7 12.6 44 44 A A E -PQ 20 204B 0 160,-1.7 160,-2.3 -2,-0.3 2,-0.3 -0.980 10.6-167.6-145.3 130.7 43.1 23.9 10.9 45 45 A L E -PQ 19 203B 2 -26,-2.5 -26,-2.3 -2,-0.3 2,-0.3 -0.862 30.4-104.3-123.5 150.9 44.0 23.5 7.2 46 46 A Y E -P 18 0B 0 156,-2.7 156,-0.2 -2,-0.3 -28,-0.2 -0.615 34.2-126.9 -70.7 137.6 46.9 24.9 5.2 47 47 A S S S+ 0 0 16 -30,-2.8 -1,-0.1 -2,-0.3 -29,-0.1 0.845 85.5 68.9 -48.8 -50.5 45.6 27.9 3.0 48 48 A S S S- 0 0 0 -31,-0.2 154,-0.3 229,-0.1 197,-0.1 -0.652 82.4-124.1 -78.6 134.6 46.8 26.7 -0.4 49 49 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 152,-0.2 -0.401 30.6-141.5 -50.7 144.0 45.3 23.6 -2.3 50 50 A I E -R 200 0B 0 150,-2.8 150,-2.4 -2,-0.1 2,-1.1 -0.947 9.3-125.0-120.6 141.8 48.2 21.3 -3.0 51 51 A H E +R 199 0B 18 -2,-0.4 148,-0.2 148,-0.2 -49,-0.1 -0.733 35.4 170.8 -84.7 104.1 48.4 19.4 -6.3 52 52 A I + 0 0 1 146,-2.0 9,-3.0 -2,-1.1 2,-0.3 0.827 62.2 0.1 -95.0 -27.9 48.7 15.8 -5.1 53 53 A W B -W 60 0C 41 145,-1.3 2,-0.5 7,-0.3 7,-0.3 -0.978 62.6-134.9-147.4 166.5 48.3 14.0 -8.4 54 54 A D > - 0 0 31 5,-2.7 4,-2.9 -2,-0.3 5,-0.5 -0.905 0.8-157.3-126.3 117.4 47.6 14.9 -12.1 55 55 A S T 4 S+ 0 0 74 -2,-0.5 -1,-0.1 2,-0.2 138,-0.0 0.800 91.9 57.6 -61.0 -25.8 45.1 13.1 -14.3 56 56 A K T 4 S+ 0 0 166 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.996 122.9 22.5 -64.9 -55.5 46.8 14.0 -17.6 57 57 A T T 4 S- 0 0 80 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.693 96.0-129.5 -86.4 -19.3 50.1 12.5 -16.7 58 58 A G < + 0 0 29 -4,-2.9 -3,-0.2 1,-0.2 135,-0.1 0.499 58.3 148.6 76.6 -0.7 48.9 9.9 -14.1 59 59 A N - 0 0 60 -5,-0.5 -5,-2.7 -6,-0.1 2,-0.3 -0.345 32.5-160.7 -70.1 149.1 51.7 11.3 -11.8 60 60 A V B -W 53 0C 19 -7,-0.3 167,-0.4 -3,-0.1 -7,-0.3 -0.945 23.5-110.3-126.5 145.4 51.2 11.4 -8.0 61 61 A A - 0 0 1 -9,-3.0 2,-0.4 -2,-0.3 165,-0.2 -0.444 13.7-134.3 -77.2 148.9 53.3 13.6 -5.7 62 62 A N E +E 225 0A 75 163,-2.5 163,-2.4 -2,-0.1 2,-0.3 -0.847 37.7 174.0 -88.9 139.9 55.9 12.6 -3.2 63 63 A F E -EF 224 166A 8 103,-1.8 103,-2.9 -2,-0.4 2,-0.3 -0.988 24.5-170.1-146.1 161.9 55.5 14.4 0.1 64 64 A V E +EF 223 165A 47 159,-2.3 159,-2.0 -2,-0.3 2,-0.3 -0.980 8.1 176.6-144.4 140.3 56.7 14.6 3.7 65 65 A T E -EF 222 164A 0 99,-2.2 99,-2.8 -2,-0.3 2,-0.3 -0.979 4.4-174.1-137.7 143.5 55.2 16.5 6.7 66 66 A S E +EF 221 163A 39 155,-1.7 155,-2.8 -2,-0.3 2,-0.3 -0.988 10.0 162.8-135.5 148.7 56.5 16.5 10.3 67 67 A F E -EF 220 162A 3 95,-2.1 95,-2.9 -2,-0.3 2,-0.4 -0.974 29.1-136.0-153.6 156.6 54.9 18.1 13.4 68 68 A T E +EF 219 161A 23 151,-1.0 150,-2.9 -2,-0.3 151,-0.9 -0.981 30.2 178.0-121.5 139.7 55.1 17.8 17.1 69 69 A F E -EF 217 160A 3 91,-2.2 91,-2.5 -2,-0.4 2,-0.4 -0.911 18.7-146.5-134.7 164.8 51.9 17.7 19.1 70 70 A V E -EF 216 159A 4 146,-2.7 146,-2.6 -2,-0.3 2,-0.5 -0.998 0.5-160.2-135.3 137.3 50.9 17.5 22.7 71 71 A I E -E 215 0A 3 87,-0.5 86,-3.1 -2,-0.4 2,-0.5 -0.990 13.2-170.9-116.0 129.4 47.8 15.8 24.1 72 72 A D E +E 214 0A 79 142,-2.4 142,-2.3 -2,-0.5 84,-0.1 -0.879 8.6 174.4-129.2 92.8 47.0 17.1 27.6 73 73 A A - 0 0 4 -2,-0.5 140,-0.2 140,-0.3 6,-0.1 -0.713 45.2-111.9 -94.5 153.9 44.3 15.2 29.4 74 74 A P S S- 0 0 79 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.629 99.1 -13.6 -56.4 -19.5 43.2 15.7 33.1 75 75 A N S S- 0 0 58 3,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.941 80.1 -91.3-169.6 172.7 44.7 12.3 33.8 76 76 A S S S+ 0 0 65 -2,-0.3 3,-0.2 1,-0.2 78,-0.1 0.492 115.9 42.7 -76.2 -4.5 45.9 9.2 31.9 77 77 A Y S S+ 0 0 192 1,-0.2 2,-1.6 -4,-0.0 -1,-0.2 0.768 100.4 63.7-111.4 -34.1 42.6 7.2 31.9 78 78 A N S S+ 0 0 81 45,-0.0 134,-0.4 2,-0.0 2,-0.4 -0.640 73.1 137.0 -96.9 83.8 39.9 9.8 31.0 79 79 A V - 0 0 1 -2,-1.6 2,-0.3 43,-0.2 134,-0.1 -0.998 32.6-157.4-131.5 128.0 41.1 10.7 27.6 80 80 A A - 0 0 2 -2,-0.4 2,-0.2 43,-0.1 133,-0.2 -0.966 37.2 -22.2-158.3 157.0 39.1 11.2 24.4 81 81 A D - 0 0 8 -2,-0.3 41,-1.3 127,-0.2 42,-0.9 -0.864 66.0-125.1-105.4 -31.1 38.9 11.2 21.3 82 82 A G E -ST 121 207B 0 125,-1.2 125,-1.8 39,-0.3 2,-0.3 -0.902 12.7 -95.5 147.6-176.5 42.0 11.8 19.3 83 83 A F E -ST 120 206B 0 37,-2.0 37,-2.4 -2,-0.3 2,-0.3 -0.972 26.4-160.5-140.8 148.4 43.7 13.8 16.7 84 84 A T E -ST 119 205B 0 121,-2.8 121,-2.1 -2,-0.3 2,-0.4 -0.922 18.6-153.2-131.0 148.8 44.2 13.4 12.9 85 85 A F E -ST 118 204B 4 33,-1.6 33,-2.3 -2,-0.3 2,-0.3 -0.989 41.4-178.3-106.1 131.3 46.5 14.7 10.2 86 86 A F E -ST 117 203B 0 117,-2.9 117,-1.9 -2,-0.4 2,-0.5 -0.926 35.4-150.7-140.7 161.1 44.3 14.4 7.0 87 87 A I E +ST 116 202B 5 29,-2.6 29,-2.3 -2,-0.3 115,-0.2 -0.999 37.4 154.1-125.4 118.3 44.2 14.9 3.2 88 88 A A E - 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