==== 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 07-JAN-94 1LGC . COMPND 2 MOLECULE: LEGUME ISOLECTIN II (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: LATHYRUS OCHRUS; . AUTHOR Y.BOURNE,C.CAMBILLAU . 690 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 463 67.1 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 . 288 41.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 7 6 5 6 6 4 6 0 1 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 1 1 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 84 0, 0.0 230,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 96.7 25.0 94.5 38.8 2 2 A E E +A 230 0A 13 228,-1.8 228,-2.4 241,-0.1 2,-0.3 -0.464 360.0 178.7 -65.1 136.4 27.7 95.4 41.3 3 3 A T E -AB 229 242A 23 239,-2.0 239,-1.6 226,-0.2 2,-0.3 -0.993 23.7-173.7-145.5 153.4 27.8 99.2 41.5 4 4 A T E +AB 228 241A 5 224,-2.1 224,-2.2 -2,-0.3 2,-0.3 -0.983 16.6 158.0-148.6 129.3 29.5 102.1 43.2 5 5 A S E +AB 227 240A 10 235,-2.0 235,-2.2 -2,-0.3 2,-0.3 -0.987 6.8 163.5-149.7 159.2 28.8 105.9 43.1 6 6 A F E -AB 226 239A 0 220,-1.7 220,-2.2 -2,-0.3 2,-0.4 -0.947 17.1-154.5-170.2 151.1 29.2 109.1 44.9 7 7 A S E -A 225 0A 18 231,-1.8 2,-0.4 -2,-0.3 218,-0.2 -0.982 11.3-175.1-133.0 141.6 29.1 112.8 44.3 8 8 A I E +A 224 0A 1 216,-1.7 216,-2.2 -2,-0.4 3,-0.1 -0.992 18.8 156.6-138.6 134.1 31.0 115.4 46.3 9 9 A T S S+ 0 0 67 -2,-0.4 2,-0.2 1,-0.3 228,-0.1 0.180 73.2 41.8-143.5 16.7 30.6 119.1 45.8 10 10 A K - 0 0 68 226,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.716 67.5-163.5-167.3 98.2 31.7 120.4 49.2 11 11 A F - 0 0 0 18,-2.7 4,-0.1 -2,-0.2 3,-0.1 -0.674 18.1-168.9 -85.4 148.3 34.8 118.9 50.8 12 12 A G - 0 0 10 -2,-0.3 14,-0.1 1,-0.1 15,-0.1 -0.908 39.3 -97.5-135.9 169.6 35.1 119.7 54.5 13 13 A P S S+ 0 0 106 0, 0.0 2,-0.9 0, 0.0 13,-0.2 0.913 126.6 40.0 -50.7 -47.0 37.6 119.4 57.4 14 14 A D S S+ 0 0 133 -3,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.917 75.3 147.8-108.2 97.9 35.8 116.3 58.4 15 15 A Q > + 0 0 11 -2,-0.9 3,-0.6 3,-0.1 -4,-0.0 -0.838 19.0 179.3-132.9 87.8 35.0 114.7 55.1 16 16 A P T 3 + 0 0 40 0, 0.0 31,-0.1 0, 0.0 -1,-0.0 0.456 64.6 80.9 -69.7 -14.1 35.2 110.9 55.8 17 17 A N T 3 S+ 0 0 4 266,-0.1 30,-3.3 29,-0.1 31,-0.3 0.886 91.6 64.7 -60.8 -40.1 34.4 109.6 52.3 18 18 A L E < S-P 46 0B 13 -3,-0.6 2,-0.4 28,-0.2 28,-0.2 -0.360 70.6-141.8 -88.3 168.0 38.0 110.1 51.4 19 19 A I E -P 45 0B 53 26,-2.2 26,-2.6 -2,-0.1 2,-0.5 -0.983 20.9-146.9-124.3 126.0 41.4 108.8 52.5 20 20 A F E +P 44 0B 70 -2,-0.4 2,-0.3 24,-0.2 24,-0.2 -0.870 18.8 177.2-102.8 133.5 44.2 111.3 52.7 21 21 A Q E > -P 43 0B 27 22,-3.2 22,-2.3 -2,-0.5 3,-1.2 -0.955 53.7 -8.0-129.6 151.8 47.8 110.3 51.9 22 22 A G E 3 S-P 42 0B 45 -2,-0.3 20,-0.3 1,-0.2 18,-0.0 -0.283 128.9 -21.1 63.1-144.2 50.9 112.5 51.8 23 23 A D T 3 S+ 0 0 80 18,-3.2 -1,-0.2 10,-0.1 2,-0.2 0.045 98.3 135.7 -87.8 28.6 50.3 116.2 52.2 24 24 A G < + 0 0 11 -3,-1.2 2,-0.3 19,-0.3 9,-0.2 -0.548 21.5 152.5 -79.6 140.8 46.7 115.9 51.1 25 25 A Y E -C 32 0A 88 7,-2.4 7,-2.6 -2,-0.2 2,-0.7 -0.969 43.8-112.8-161.2 161.6 44.1 117.8 53.1 26 26 A T E +C 31 0A 15 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.876 46.8 154.5-110.1 104.0 40.7 119.4 52.7 27 27 A T E > +C 30 0A 57 3,-1.5 3,-2.3 -2,-0.7 -16,-0.1 -0.916 56.4 17.1-131.1 154.8 40.6 123.2 52.9 28 28 A K T 3 S- 0 0 149 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.771 127.8 -67.4 57.3 27.8 38.5 126.1 51.7 29 29 A E T 3 S+ 0 0 104 1,-0.2 -18,-2.7 -3,-0.2 2,-0.3 0.454 117.3 105.0 72.0 4.8 35.9 123.4 51.0 30 30 A R E < S-C 27 0A 48 -3,-2.3 -3,-1.5 -20,-0.2 2,-0.6 -0.837 82.0-106.4-118.1 151.1 38.1 122.0 48.3 31 31 A L E -CD 26 221A 0 190,-2.5 190,-2.5 -2,-0.3 2,-0.7 -0.678 37.1-157.3 -74.7 114.8 40.3 118.9 48.1 32 32 A T E +CD 25 220A 0 -7,-2.6 -7,-2.4 -2,-0.6 188,-0.2 -0.884 22.0 170.2 -99.6 110.2 43.8 120.2 48.4 33 33 A L E - 0 0 0 186,-2.3 2,-0.3 -2,-0.7 -1,-0.2 0.907 69.0 -14.7 -85.5 -46.1 46.4 117.8 47.0 34 34 A T E - D 0 219A 2 185,-1.2 185,-0.8 177,-0.1 -1,-0.3 -0.930 60.1-147.2-147.6 168.7 49.5 120.1 47.1 35 35 A K - 0 0 82 -2,-0.3 2,-2.6 183,-0.2 182,-0.4 -0.611 52.9 -65.5-125.9-174.1 50.2 123.8 47.5 36 36 A A S S+ 0 0 45 -2,-0.2 2,-0.3 180,-0.1 182,-0.1 -0.392 95.4 115.8 -76.1 64.2 52.9 126.1 46.1 37 37 A V - 0 0 78 -2,-2.6 3,-0.4 180,-0.3 180,-0.3 -0.904 66.4-107.0-131.2 155.7 55.6 124.3 48.0 38 38 A R S S+ 0 0 184 -2,-0.3 176,-0.2 1,-0.2 175,-0.1 -0.461 88.4 6.6 -83.1 158.9 58.6 122.2 46.8 39 39 A N S S+ 0 0 120 174,-0.9 2,-0.3 176,-0.2 -1,-0.2 0.756 88.8 140.0 40.5 46.8 58.9 118.4 46.9 40 40 A T - 0 0 22 -3,-0.4 172,-2.0 -5,-0.1 2,-0.4 -0.824 35.4-161.9-115.3 162.3 55.4 117.5 48.2 41 41 A V E - Q 0 211B 29 -2,-0.3 -18,-3.2 170,-0.2 2,-0.5 -0.984 7.7-178.1-142.4 119.0 53.0 114.8 47.3 42 42 A G E +PQ 22 210B 0 168,-2.8 168,-1.2 -2,-0.4 2,-0.3 -0.975 8.0 170.1-125.6 119.4 49.3 114.9 48.1 43 43 A R E -PQ 21 209B 1 -22,-2.3 -22,-3.2 -2,-0.5 2,-0.4 -0.958 11.7-169.2-125.6 150.6 47.0 112.0 47.3 44 44 A A E -PQ 20 208B 0 164,-1.8 164,-2.6 -2,-0.3 2,-0.3 -0.998 7.3-167.3-139.6 132.6 43.3 111.4 48.3 45 45 A L E -PQ 19 207B 3 -26,-2.6 -26,-2.2 -2,-0.4 2,-0.4 -0.914 29.4-108.3-123.2 149.6 41.4 108.1 47.8 46 46 A Y E -P 18 0B 0 160,-2.1 160,-0.3 -2,-0.3 -28,-0.2 -0.606 31.6-135.2 -74.7 128.4 37.8 107.1 48.0 47 47 A S S S+ 0 0 17 -30,-3.3 -1,-0.1 -2,-0.4 -29,-0.1 0.880 82.6 73.3 -52.0 -51.4 37.4 105.0 51.1 48 48 A S S S- 0 0 0 -31,-0.3 2,-0.2 236,-0.1 204,-0.1 -0.454 83.7-125.7 -73.0 133.8 35.2 102.3 49.7 49 49 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 156,-0.2 -0.537 23.8-140.3 -74.3 149.3 37.0 99.8 47.3 50 50 A I E -R 204 0B 0 154,-3.1 154,-2.4 -2,-0.2 2,-0.9 -0.923 9.6-127.2-116.6 142.5 35.4 99.3 43.9 51 51 A H E +R 203 0B 18 -2,-0.4 152,-0.2 152,-0.2 151,-0.1 -0.757 29.6 175.6 -86.5 104.6 34.9 96.1 41.9 52 52 A I - 0 0 2 150,-2.4 9,-3.6 -2,-0.9 2,-0.3 0.690 62.8 -10.0 -85.0 -22.5 36.5 96.9 38.5 53 53 A W B -W 60 0C 40 149,-1.1 2,-0.4 7,-0.3 7,-0.3 -0.972 63.6-121.0-167.7 163.4 36.1 93.4 36.9 54 54 A D >> - 0 0 25 5,-3.1 4,-2.3 -2,-0.3 3,-0.7 -0.964 3.5-155.6-122.3 134.8 35.2 89.8 37.8 55 55 A S T 34 S+ 0 0 51 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.956 90.8 55.6 -68.0 -54.4 37.3 86.6 37.4 56 56 A K T 34 S+ 0 0 183 1,-0.2 178,-0.3 2,-0.1 -1,-0.2 0.224 127.3 20.9 -71.3 20.4 34.6 84.0 37.1 57 57 A T T <4 S- 0 0 39 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.318 94.3-131.0-149.3 -37.3 32.9 85.8 34.2 58 58 A G < + 0 0 24 -4,-2.3 -3,-0.2 1,-0.3 139,-0.1 0.518 52.5 155.8 86.6 6.7 35.7 87.9 32.9 59 59 A N - 0 0 38 -5,-0.3 -5,-3.1 172,-0.1 2,-0.4 -0.408 30.3-152.6 -67.7 141.0 33.3 90.8 32.9 60 60 A V B -W 53 0C 22 -7,-0.3 171,-0.3 -3,-0.1 -7,-0.3 -0.889 21.3-108.6-114.0 146.4 35.0 94.3 33.2 61 61 A A - 0 0 0 -9,-3.6 2,-0.4 -2,-0.4 169,-0.2 -0.113 18.4-137.6 -68.2 173.9 33.2 97.2 34.7 62 62 A N E +E 229 0A 86 167,-2.3 167,-2.3 105,-0.2 2,-0.3 -0.999 37.1 166.3-133.3 120.4 31.9 100.2 32.8 63 63 A F E -EF 228 166A 8 103,-1.6 103,-2.8 -2,-0.4 2,-0.3 -0.864 29.2-164.6-141.4 174.8 32.5 103.6 34.5 64 64 A V E -EF 227 165A 43 163,-2.2 163,-2.8 -2,-0.3 2,-0.3 -0.971 4.8-173.5-156.2 140.1 32.6 107.4 34.5 65 65 A T E -EF 226 164A 0 99,-2.5 99,-2.4 -2,-0.3 2,-0.4 -0.984 5.6-168.6-135.1 141.5 34.2 110.0 36.7 66 66 A S E +EF 225 163A 44 159,-2.3 159,-2.7 -2,-0.3 2,-0.3 -0.999 15.5 162.4-134.0 131.0 33.7 113.7 36.4 67 67 A F E -EF 224 162A 1 95,-1.9 95,-3.2 -2,-0.4 2,-0.5 -0.995 31.3-140.5-152.3 151.8 35.7 116.3 38.3 68 68 A T E -EF 223 161A 20 155,-0.9 154,-1.8 -2,-0.3 155,-0.9 -0.947 29.9-179.7-109.7 130.1 36.7 120.0 38.2 69 69 A F E -EF 221 160A 3 91,-2.2 91,-1.5 -2,-0.5 2,-0.4 -0.885 17.5-154.9-132.3 161.3 40.3 120.8 39.1 70 70 A V E -EF 220 159A 3 150,-2.0 150,-2.1 -2,-0.3 2,-0.6 -0.993 2.8-166.4-137.6 124.2 42.5 123.9 39.4 71 71 A I E -E 219 0A 3 87,-0.6 86,-2.5 -2,-0.4 2,-0.6 -0.976 15.0-172.9-108.9 112.5 46.2 124.1 39.1 72 72 A D E -E 218 0A 78 146,-3.0 146,-2.7 -2,-0.6 84,-0.1 -0.930 1.7-172.9-112.2 105.9 47.2 127.5 40.5 73 73 A A - 0 0 2 -2,-0.6 3,-0.2 144,-0.3 144,-0.2 -0.828 26.7-141.4-100.9 138.3 50.9 128.3 39.9 74 74 A P S S+ 0 0 94 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.906 99.6 28.3 -59.8 -41.8 52.5 131.4 41.4 75 75 A N S S- 0 0 48 3,-0.4 141,-0.1 141,-0.3 3,-0.1 -0.987 73.2-150.8-123.7 124.1 54.5 131.8 38.2 76 76 A S S S+ 0 0 62 -2,-0.4 3,-0.2 1,-0.2 80,-0.1 0.515 93.7 56.8 -71.8 -6.9 53.0 130.5 34.9 77 77 A Y S S+ 0 0 153 1,-0.2 2,-1.0 106,-0.2 -1,-0.2 0.902 106.1 46.1 -87.1 -50.7 56.4 129.9 33.4 78 78 A N S S+ 0 0 45 105,-0.1 138,-0.5 -3,-0.1 2,-0.4 -0.766 77.3 157.2 -97.9 90.2 57.8 127.5 36.0 79 79 A V - 0 0 1 -2,-1.0 2,-0.3 43,-0.3 138,-0.1 -0.908 22.6-140.2-117.4 142.6 55.0 125.0 36.7 80 80 A A - 0 0 2 -2,-0.4 137,-0.4 43,-0.1 2,-0.1 -0.936 32.3 -34.7-172.2 150.7 55.3 121.5 38.1 81 81 A D - 0 0 7 -2,-0.3 41,-1.8 135,-0.2 42,-0.5 -0.787 65.8 -89.2-114.0 -43.1 54.6 118.8 38.2 82 82 A G E -ST 121 211B 0 129,-0.9 129,-1.5 39,-0.3 2,-0.2 -0.935 10.2-121.0 176.0 160.6 51.1 117.4 37.6 83 83 A F E -ST 120 210B 0 37,-2.3 37,-2.5 -2,-0.3 2,-0.3 -0.678 33.4-172.8-104.7 164.5 47.7 116.3 38.7 84 84 A T E -ST 119 209B 0 125,-1.1 125,-2.3 -2,-0.2 2,-0.5 -0.965 26.7-150.3-166.1 137.7 46.4 112.7 38.2 85 85 A F E -ST 118 208B 2 33,-2.5 33,-2.2 -2,-0.3 2,-0.3 -0.962 37.2-171.0-105.0 130.8 43.3 110.5 38.5 86 86 A F E -ST 117 207B 0 121,-2.8 121,-1.4 -2,-0.5 2,-0.5 -0.928 32.3-157.4-134.8 154.8 44.4 106.9 39.3 87 87 A I E +ST 116 206B 7 29,-2.8 29,-2.1 -2,-0.3 119,-0.2 -0.995 37.2 153.6-120.1 117.4 43.2 103.3 39.6 88 88 A A E - 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