==== 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 1LOF . COMPND 2 MOLECULE: LEGUME ISOLECTIN I (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: LATHYRUS OCHRUS; . AUTHOR Y.BOURNE,C.CAMBILLAU . 460 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 69.8 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 . 207 45.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 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 . 45 9.8 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 . 2 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 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 8 3 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 . 1 0 0 0 0 1 1 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 70 0, 0.0 238,-2.7 0, 0.0 239,-0.6 0.000 360.0 360.0 360.0 138.4 -3.2 0.9 25.9 2 2 A E E -AB 228 238A 25 226,-1.8 226,-2.7 236,-0.2 2,-0.3 -0.942 360.0-174.5-146.2 136.4 0.4 1.1 25.2 3 3 A T E -AB 227 237A 20 234,-2.0 234,-1.6 -2,-0.3 2,-0.4 -0.976 7.6-172.6-135.6 138.2 2.7 3.8 26.4 4 4 A T E +AB 226 236A 5 222,-1.3 222,-2.0 -2,-0.3 2,-0.3 -0.993 17.5 159.8-130.9 127.1 6.4 4.6 25.7 5 5 A S E +AB 225 235A 13 230,-2.6 230,-2.5 -2,-0.4 2,-0.3 -0.978 2.9 153.4-140.3 157.0 8.2 7.3 27.5 6 6 A F E -AB 224 234A 1 218,-2.0 218,-2.1 -2,-0.3 2,-0.3 -0.954 17.6-161.8-169.0 162.2 11.9 8.1 28.2 7 7 A S E -AB 223 233A 23 226,-1.8 226,-2.2 -2,-0.3 2,-0.5 -0.928 2.7-167.7-152.5 137.8 14.0 11.3 28.9 8 8 A I E +AB 222 232A 1 214,-2.3 214,-2.2 -2,-0.3 224,-0.2 -0.996 7.0 178.9-127.1 116.2 17.8 11.7 28.6 9 9 A T S S+ 0 0 63 222,-2.3 2,-0.4 -2,-0.5 223,-0.1 0.760 75.5 15.1 -90.8 -25.1 18.8 14.9 30.3 10 10 A K S S- 0 0 84 221,-0.6 -1,-0.4 212,-0.1 2,-0.2 -0.964 81.8-136.5-149.6 124.1 22.6 14.7 29.7 11 11 A F - 0 0 1 18,-1.4 18,-0.3 -2,-0.4 16,-0.1 -0.645 25.6-155.3 -85.0 151.4 23.8 12.2 27.2 12 12 A G - 0 0 20 -2,-0.2 3,-0.3 17,-0.1 14,-0.1 -0.870 29.4 -89.5-137.0 169.3 26.8 10.2 28.2 13 13 A P S S+ 0 0 130 0, 0.0 2,-0.6 0, 0.0 13,-0.3 0.681 120.5 33.6 -51.6 -35.7 29.7 8.2 26.7 14 14 A D S S+ 0 0 101 1,-0.0 2,-1.4 3,-0.0 3,-0.1 -0.763 70.3 169.8-123.4 82.6 28.0 4.8 26.5 15 15 A Q > + 0 0 3 -2,-0.6 3,-1.4 -3,-0.3 -4,-0.0 -0.587 6.9 176.1 -91.0 70.0 24.4 5.8 25.8 16 16 A Q T 3 + 0 0 72 -2,-1.4 -1,-0.2 1,-0.3 264,-0.0 0.499 65.1 66.2 -59.8 -9.2 23.3 2.3 25.0 17 17 A N T 3 S+ 0 0 2 261,-0.1 30,-2.5 -3,-0.1 2,-0.3 0.267 90.6 74.7 -99.2 17.8 19.6 3.0 24.5 18 18 A L E < S-P 46 0B 10 -3,-1.4 2,-0.5 28,-0.2 28,-0.2 -0.869 73.6-138.8-122.6 146.6 20.1 5.1 21.3 19 19 A I E -P 45 0B 56 26,-2.8 26,-2.8 -2,-0.3 2,-0.4 -0.973 22.3-153.2-106.5 125.3 21.0 3.7 17.8 20 20 A F E -P 44 0B 71 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.821 14.0-176.6-106.0 140.8 23.7 5.9 16.2 21 21 A Q E > -P 43 0B 31 22,-2.9 22,-3.4 -2,-0.4 3,-1.2 -0.972 53.9 -8.1-135.4 149.3 24.0 6.1 12.5 22 22 A G E 3 S-P 42 0B 54 -2,-0.3 20,-0.3 20,-0.3 12,-0.1 -0.490 131.3 -19.3 65.6-131.3 26.4 8.0 10.3 23 23 A D T 3 S+ 0 0 83 18,-2.8 2,-0.3 10,-0.3 -1,-0.2 0.018 96.6 132.9 -95.5 18.8 28.6 10.3 12.4 24 24 A G < + 0 0 11 -3,-1.2 2,-0.3 19,-0.3 9,-0.2 -0.555 22.4 146.3 -75.1 137.0 26.3 10.4 15.5 25 25 A Y E -C 32 0A 92 7,-1.9 7,-2.4 -2,-0.3 2,-0.4 -0.952 46.4-111.5-155.6 166.5 28.1 9.9 18.7 26 26 A T E +C 31 0A 15 -2,-0.3 2,-0.3 -13,-0.3 5,-0.2 -0.872 40.9 166.2-109.0 144.8 27.6 11.2 22.1 27 27 A T E > -C 30 0A 53 3,-3.0 3,-2.1 -2,-0.4 -16,-0.1 -0.933 54.5 -4.1-158.6 133.2 30.2 13.5 23.5 28 28 A K T 3 S- 0 0 191 1,-0.3 -16,-0.1 -2,-0.3 3,-0.1 0.829 128.4 -49.8 50.8 47.2 30.6 15.9 26.5 29 29 A E T 3 S+ 0 0 109 -18,-0.3 -18,-1.4 1,-0.2 2,-0.3 0.542 122.7 98.7 66.6 16.7 27.1 15.4 27.8 30 30 A R E < S-C 27 0A 71 -3,-2.1 -3,-3.0 -20,-0.2 2,-0.8 -0.868 75.3-123.8-128.3 156.1 25.6 16.1 24.3 31 31 A L E -CD 26 219A 0 188,-3.2 188,-2.9 -2,-0.3 2,-0.7 -0.927 31.0-162.2 -95.8 111.4 24.4 14.1 21.3 32 32 A T E +CD 25 218A 0 -7,-2.4 -7,-1.9 -2,-0.8 186,-0.2 -0.865 17.3 172.7-102.9 107.8 26.6 15.3 18.5 33 33 A L E + 0 0 0 184,-1.8 2,-0.3 -2,-0.7 -10,-0.3 0.865 69.8 10.9 -79.4 -41.1 25.0 14.4 15.1 34 34 A T E - D 0 217A 0 183,-1.2 183,-1.3 175,-0.1 -1,-0.3 -0.989 64.4-143.2-139.8 146.9 27.4 16.3 12.9 35 35 A K - 0 0 75 -2,-0.3 2,-2.7 181,-0.2 180,-0.4 -0.670 47.7 -91.9 -95.6 161.4 30.7 18.0 13.4 36 36 A A S S+ 0 0 47 -2,-0.3 2,-0.3 178,-0.2 180,-0.2 -0.418 88.8 122.4 -79.2 72.3 31.3 21.3 11.5 37 37 A V > - 0 0 82 -2,-2.7 3,-0.6 178,-0.3 178,-0.3 -0.902 69.2-102.3-127.5 144.3 32.9 19.3 8.7 38 38 A R T 3 S+ 0 0 149 -2,-0.3 174,-0.2 1,-0.2 176,-0.1 -0.529 91.2 7.9 -82.8 150.4 31.6 19.5 5.2 39 39 A N T 3 S+ 0 0 115 172,-0.9 2,-0.3 174,-0.5 -1,-0.2 0.782 86.3 133.2 56.2 47.3 29.4 16.8 3.7 40 40 A T < - 0 0 28 -3,-0.6 170,-1.9 -5,-0.2 2,-0.3 -0.767 38.4-150.9-113.5 170.2 28.7 14.4 6.6 41 41 A V E + Q 0 209B 31 -2,-0.3 -18,-2.8 168,-0.2 2,-0.3 -0.986 14.3 176.1-130.2 141.0 25.5 12.7 7.9 42 42 A G E +PQ 22 208B 0 166,-2.2 166,-2.1 -2,-0.3 2,-0.3 -0.981 3.3 173.3-142.7 143.4 24.7 11.7 11.5 43 43 A R E -PQ 21 207B 1 -22,-3.4 -22,-2.9 -2,-0.3 2,-0.3 -0.943 12.2-164.0-141.4 156.6 21.5 10.3 12.9 44 44 A A E -PQ 20 206B 0 162,-2.0 162,-2.4 -2,-0.3 2,-0.3 -0.967 8.8-168.4-143.6 134.6 20.4 8.8 16.3 45 45 A L E -PQ 19 205B 2 -26,-2.8 -26,-2.8 -2,-0.3 2,-0.3 -0.898 29.3-108.1-124.7 146.3 17.3 6.7 16.9 46 46 A Y E -P 18 0B 0 158,-2.3 158,-0.3 -2,-0.3 -28,-0.2 -0.579 33.1-129.0 -72.0 134.7 15.5 5.6 20.2 47 47 A S S S+ 0 0 18 -30,-2.5 -1,-0.1 -2,-0.3 -29,-0.1 0.839 83.7 72.2 -50.9 -45.6 16.1 1.9 20.6 48 48 A S S S- 0 0 0 -31,-0.3 199,-0.1 1,-0.0 2,-0.1 -0.567 82.5-124.4 -79.8 138.4 12.5 0.7 21.2 49 49 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 154,-0.2 -0.532 29.8-143.6 -59.0 144.0 10.1 0.6 18.2 50 50 A I E -V 202 0C 0 152,-2.3 152,-1.9 -2,-0.1 2,-0.8 -0.936 8.8-125.6-114.5 146.5 7.0 2.6 19.2 51 51 A H E +V 201 0C 19 -2,-0.4 150,-0.3 150,-0.2 149,-0.1 -0.827 32.2 173.4 -88.9 111.4 3.4 1.7 18.2 52 52 A I + 0 0 1 148,-2.5 9,-3.1 -2,-0.8 2,-0.3 0.707 63.5 1.7 -94.6 -29.0 2.0 4.8 16.5 53 53 A W B -W 60 0D 44 147,-1.3 2,-0.4 7,-0.3 7,-0.3 -0.963 66.3-130.0-148.6 164.8 -1.3 3.5 15.2 54 54 A D > - 0 0 37 5,-2.8 4,-2.4 -2,-0.3 5,-0.2 -0.981 4.7-160.4-117.9 125.4 -3.2 0.2 15.4 55 55 A S T 4 S+ 0 0 72 -2,-0.4 -1,-0.1 2,-0.2 0, 0.0 0.887 92.2 56.8 -69.4 -38.4 -4.7 -1.6 12.2 56 56 A K T 4 S+ 0 0 175 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.954 124.8 22.3 -55.2 -50.2 -7.2 -3.8 14.1 57 57 A T T 4 S- 0 0 77 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.598 91.6-127.7 -94.2 -20.1 -8.7 -0.7 15.7 58 58 A G < + 0 0 29 -4,-2.4 -3,-0.1 1,-0.3 2,-0.1 0.355 60.0 148.1 81.3 -12.9 -7.9 2.4 13.5 59 59 A N - 0 0 56 -5,-0.2 -5,-2.8 -6,-0.1 2,-0.3 -0.412 32.9-160.4 -61.6 127.8 -6.6 4.0 16.7 60 60 A V B -W 53 0D 22 -7,-0.3 169,-0.3 -2,-0.1 -7,-0.3 -0.785 21.0-110.7-105.2 151.0 -3.7 6.5 16.2 61 61 A A - 0 0 0 -9,-3.1 2,-0.4 -2,-0.3 167,-0.2 -0.413 13.4-139.8 -77.1 148.0 -1.3 7.5 19.2 62 62 A N E +E 227 0A 59 165,-2.4 165,-2.0 105,-0.1 2,-0.3 -0.889 35.0 170.6 -95.4 143.4 -1.1 10.9 20.8 63 63 A F E -EF 226 166A 9 103,-1.8 103,-2.8 -2,-0.4 2,-0.3 -0.974 22.4-165.9-147.8 166.1 2.5 11.9 21.5 64 64 A V E +EF 225 165A 44 161,-1.9 161,-2.0 -2,-0.3 2,-0.3 -0.957 9.1 179.8-148.3 142.3 4.7 14.8 22.7 65 65 A T E -EF 224 164A 0 99,-2.3 99,-3.0 -2,-0.3 2,-0.3 -0.982 3.6-176.4-143.6 145.1 8.4 15.2 22.5 66 66 A S E +EF 223 163A 42 157,-1.9 157,-3.0 -2,-0.3 2,-0.3 -0.952 11.0 158.5-138.7 154.6 10.8 18.1 23.5 67 67 A F E -EF 222 162A 2 95,-1.4 95,-2.7 -2,-0.3 2,-0.5 -0.944 31.0-132.1-164.9 153.6 14.5 18.5 23.1 68 68 A T E -EF 221 161A 16 153,-1.3 152,-2.9 -2,-0.3 153,-0.8 -0.991 28.3-176.3-122.4 135.6 17.0 21.4 23.1 69 69 A F E -EF 219 160A 2 91,-2.2 91,-2.3 -2,-0.5 2,-0.4 -0.868 17.4-148.3-125.2 166.0 19.5 21.6 20.4 70 70 A V E -EF 218 159A 5 148,-2.7 148,-2.8 -2,-0.3 2,-0.6 -0.996 3.1-162.4-131.2 129.3 22.4 23.8 19.4 71 71 A I E -E 217 0A 2 87,-0.6 86,-2.9 -2,-0.4 2,-0.6 -0.992 12.7-171.0-110.0 116.9 23.5 24.6 15.8 72 72 A D E +E 216 0A 78 144,-2.8 144,-2.6 -2,-0.6 84,-0.1 -0.894 9.8 174.6-114.2 97.7 27.0 25.9 15.9 73 73 A A - 0 0 12 -2,-0.6 142,-0.2 142,-0.3 6,-0.1 -0.667 43.9-109.9-102.2 158.6 28.2 27.2 12.5 74 74 A P S S- 0 0 78 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.742 97.6 -20.4 -52.7 -30.7 31.5 29.1 11.5 75 75 A N S S- 0 0 64 3,-0.5 3,-0.2 0, 0.0 -3,-0.0 -0.918 79.5 -87.7-168.6 166.1 29.5 32.3 11.0 76 76 A S S S+ 0 0 61 -2,-0.3 3,-0.2 1,-0.2 78,-0.1 0.462 119.4 43.8 -63.3 -2.3 25.9 33.3 10.4 77 77 A Y S S+ 0 0 192 1,-0.2 2,-1.2 -4,-0.0 -1,-0.2 0.763 103.5 59.5-113.5 -35.2 26.0 33.0 6.5 78 78 A N S S+ 0 0 79 -3,-0.2 -3,-0.5 45,-0.0 2,-0.3 -0.709 75.8 128.8 -96.9 82.3 27.9 29.8 5.9 79 79 A V - 0 0 1 -2,-1.2 2,-0.2 43,-0.3 136,-0.2 -0.978 37.5-163.5-133.0 138.8 25.5 27.4 7.8 80 80 A A - 0 0 1 -2,-0.3 2,-0.2 134,-0.1 18,-0.0 -0.879 32.8 -11.2-178.2 158.4 24.0 24.2 6.3 81 81 A D - 0 0 6 -2,-0.2 41,-1.5 129,-0.2 42,-0.8 -0.908 67.5-132.5 -99.7 -30.1 22.1 21.9 6.1 82 82 A G E -RS 121 209B 0 127,-1.0 127,-1.3 39,-0.2 2,-0.3 -0.932 10.8 -88.8 147.6-165.9 19.9 21.4 9.0 83 83 A F E -RS 120 208B 0 37,-2.5 37,-3.5 -2,-0.3 2,-0.3 -0.940 28.5-163.8-144.7 152.5 18.4 19.2 11.6 84 84 A T E -RS 119 207B 0 123,-1.8 123,-1.8 -2,-0.3 2,-0.5 -0.993 20.7-150.7-148.6 142.9 15.2 17.0 11.7 85 85 A F E -RS 118 206B 3 33,-2.3 33,-3.2 -2,-0.3 2,-0.3 -0.978 40.8-179.8-104.6 119.6 13.0 15.1 14.2 86 86 A F E -RS 117 205B 0 119,-2.2 119,-1.8 -2,-0.5 2,-0.4 -0.873 32.3-151.6-128.2 162.2 11.6 12.3 12.1 87 87 A I E +RS 116 204B 4 29,-2.6 29,-1.7 -2,-0.3 117,-0.2 -0.999 36.9 155.1-126.0 121.4 9.3 9.3 12.5 88 88 A A E - 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