==== 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 13-JUL-95 1SBE . COMPND 2 MOLECULE: SOYBEAN AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR A.DESSEN,L.R.OLSEN,D.GUPTA,S.SABESAN,J.C.SACCHETTINI,C.F.BRE . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 68.4 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 . 96 41.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.3 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-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 26 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 3 2 0 2 2 1 3 2 0 0 1 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 1 1 0 0 0 0 0 0 0 0 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 A 0 0 104 0, 0.0 2,-0.4 0, 0.0 231,-0.0 0.000 360.0 360.0 360.0 84.8 -13.2 125.3 61.6 2 2 A E E +A 230 0A 94 228,-2.2 228,-2.0 56,-0.1 2,-0.3 -0.760 360.0 175.6 -94.3 136.3 -10.3 124.8 64.0 3 3 A T E +A 229 0A 108 -2,-0.4 2,-0.3 226,-0.2 226,-0.2 -0.932 9.7 176.0-137.9 162.5 -6.9 123.6 63.0 4 4 A V E +A 228 0A 54 224,-2.2 224,-2.3 -2,-0.3 2,-0.3 -0.978 1.8 171.2-164.3 147.1 -3.6 122.9 64.4 5 5 A S E +A 227 0A 71 -2,-0.3 2,-0.3 222,-0.2 222,-0.2 -0.990 2.3 168.5-155.7 152.8 -0.3 121.6 63.4 6 6 A F E -A 226 0A 25 220,-2.0 220,-3.1 -2,-0.3 2,-0.3 -0.931 6.2-176.7-150.9 164.2 3.2 121.2 64.6 7 7 A S E -A 225 0A 84 -2,-0.3 2,-0.3 218,-0.3 218,-0.3 -0.866 5.7-175.0-169.4 141.6 6.3 119.4 63.6 8 8 A W E -A 224 0A 44 216,-2.6 216,-1.6 -2,-0.3 3,-0.1 -0.987 17.1-161.2-133.1 144.1 9.9 118.8 64.8 9 9 A N S S+ 0 0 155 -2,-0.3 2,-0.3 214,-0.2 216,-0.1 0.513 86.5 17.7-101.5 -7.9 12.7 116.9 63.2 10 10 A K S S- 0 0 51 214,-0.1 2,-0.4 21,-0.0 214,-0.2 -0.900 82.4-110.8-146.4 167.5 14.6 116.6 66.5 11 11 A F - 0 0 5 19,-2.0 19,-0.0 -2,-0.3 212,-0.0 -0.936 23.6-143.9-108.4 131.0 13.7 116.9 70.2 12 12 A V > - 0 0 58 -2,-0.4 3,-1.3 17,-0.1 16,-0.1 -0.842 28.9-109.3 -95.7 125.1 15.0 119.8 72.3 13 13 A P T 3 S+ 0 0 73 0, 0.0 14,-0.1 0, 0.0 -1,-0.0 -0.280 100.7 8.2 -55.9 126.9 15.9 119.0 75.8 14 14 A K T 3 S- 0 0 90 1,-0.2 11,-0.0 12,-0.0 -3,-0.0 0.845 80.4-179.4 70.2 40.7 13.4 120.5 78.1 15 15 A Q X - 0 0 21 -3,-1.3 3,-0.7 1,-0.1 -1,-0.2 -0.527 24.1-145.8 -70.4 129.2 10.9 121.8 75.5 16 16 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.147 92.2 68.2 -75.6 4.2 8.2 123.5 77.4 17 17 A N T 3 S+ 0 0 56 37,-0.1 37,-2.9 38,-0.0 38,-0.3 0.356 96.7 62.9-104.4 -4.1 5.6 122.4 74.8 18 18 A M E < -H 53 0B 13 -3,-0.7 2,-0.4 35,-0.3 35,-0.2 -0.704 67.9-141.3-118.7 171.3 5.9 118.8 75.9 19 19 A I E -H 52 0B 75 33,-1.8 33,-2.5 -2,-0.2 2,-0.2 -0.958 10.8-156.5-142.0 117.5 5.3 116.7 78.8 20 20 A L E -H 51 0B 61 -2,-0.4 2,-0.3 31,-0.2 31,-0.2 -0.527 12.6-179.7 -93.2 154.6 7.4 113.8 80.0 21 21 A Q E > -H 50 0B 37 29,-1.4 29,-2.1 -2,-0.2 3,-1.5 -0.959 52.1 -6.0-151.8 145.6 6.2 111.0 82.2 22 22 A G E 3 S-H 49 0B 50 -2,-0.3 27,-0.3 1,-0.3 13,-0.1 -0.207 126.7 -26.1 63.1-150.5 7.9 108.0 83.7 23 23 A D T 3 S+ 0 0 65 25,-4.1 26,-0.3 11,-0.3 -1,-0.3 0.402 101.3 129.9 -72.0 -1.4 11.4 107.4 82.6 24 24 A A < + 0 0 2 -3,-1.5 10,-0.3 24,-0.4 2,-0.3 -0.431 30.3 154.8 -64.0 123.5 10.7 109.2 79.4 25 25 A I E -B 33 0A 82 8,-3.3 8,-1.6 -2,-0.2 2,-0.6 -0.895 44.4-110.9-144.6 172.2 13.3 111.9 78.7 26 26 A V E -B 32 0A 16 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.877 31.0-142.6-110.3 102.3 14.9 113.9 75.9 27 27 A T > - 0 0 19 4,-0.9 3,-1.5 -2,-0.6 -16,-0.1 -0.166 19.9-122.6 -58.2 157.6 18.6 113.0 75.2 28 28 A S T 3 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.1 -17,-0.0 0.874 113.0 72.3 -65.9 -34.2 20.9 115.8 74.3 29 29 A S T 3 S- 0 0 110 1,-0.1 -1,-0.3 -17,-0.1 -2,-0.1 0.481 120.8-112.1 -56.6 -4.7 21.5 113.8 71.1 30 30 A G S < S+ 0 0 14 -3,-1.5 -19,-2.0 1,-0.3 -1,-0.1 0.212 76.4 129.1 90.4 -14.6 18.0 115.0 70.3 31 31 A K - 0 0 20 -21,-0.1 -4,-0.9 1,-0.1 2,-0.8 -0.180 61.8-123.5 -64.8 158.2 16.3 111.5 70.6 32 32 A L E -BC 26 221A 1 189,-1.0 189,-2.5 -6,-0.2 2,-0.5 -0.888 28.3-164.8-107.9 98.7 13.2 111.0 72.7 33 33 A Q E +BC 25 220A 51 -8,-1.6 -8,-3.3 -2,-0.8 187,-0.2 -0.702 18.0 170.8 -79.1 126.2 14.1 108.2 75.1 34 34 A L + 0 0 0 185,-1.0 2,-0.3 -2,-0.5 -11,-0.3 0.512 61.4 60.6-109.9 -12.0 11.1 106.8 76.7 35 35 A N S S- 0 0 1 184,-0.2 2,-0.3 -12,-0.1 -10,-0.1 -0.874 82.4-116.1-119.9 149.3 12.8 103.9 78.3 36 36 A K - 0 0 38 -2,-0.3 8,-2.2 8,-0.3 2,-0.3 -0.593 39.1-175.7 -82.6 140.7 15.6 103.7 80.9 37 37 A V B -N 43 0C 40 -2,-0.3 5,-0.1 6,-0.3 4,-0.1 -0.980 24.5 -88.2-141.4 161.6 18.8 102.1 79.7 38 38 A D > - 0 0 40 4,-2.7 3,-2.6 -2,-0.3 -1,-0.1 0.072 38.8-110.6 -55.7 162.0 22.2 100.9 80.8 39 39 A E T 3 S+ 0 0 125 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.891 134.3 53.0 -58.5 -30.7 25.3 103.0 80.9 40 40 A N T 3 S- 0 0 86 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.424 130.4-108.9 -81.1 0.8 25.9 100.5 78.1 41 41 A G < + 0 0 27 -3,-2.6 -2,-0.2 1,-0.3 177,-0.1 0.526 67.1 155.7 79.5 7.0 22.5 101.6 76.7 42 42 A T - 0 0 51 -5,-0.1 -4,-2.7 1,-0.1 -1,-0.3 -0.478 49.9-111.2 -70.2 124.2 20.9 98.4 77.7 43 43 A P B -N 37 0C 2 0, 0.0 -6,-0.3 0, 0.0 173,-0.1 -0.188 30.7-132.2 -51.9 149.2 17.2 98.7 78.2 44 44 A K > - 0 0 37 -8,-2.2 3,-0.5 171,-0.2 -8,-0.3 -0.879 23.0-112.9-118.0 105.1 16.2 98.3 81.9 45 45 A P T 3 S+ 0 0 63 0, 0.0 167,-0.2 0, 0.0 3,-0.1 0.349 98.3 23.1 -30.9 155.2 13.3 95.9 82.7 46 46 A S T 3 S+ 0 0 48 165,-5.9 166,-0.1 168,-0.5 165,-0.1 0.647 90.6 155.3 48.4 27.0 10.1 97.2 84.1 47 47 A S < - 0 0 3 -3,-0.5 163,-0.9 164,-0.3 58,-0.4 -0.276 20.0-171.6 -73.0 154.5 11.0 100.7 82.5 48 48 A L E + I 0 209B 17 161,-0.2 -25,-4.1 -3,-0.1 -24,-0.4 -0.860 13.2 160.8-161.8 128.4 8.3 103.1 81.6 49 49 A G E +HI 22 208B 0 159,-1.8 159,-2.5 -27,-0.3 2,-0.3 -0.986 7.4 177.7-146.1 150.9 7.7 106.4 79.7 50 50 A R E -HI 21 207B 2 -29,-2.1 -29,-1.4 -2,-0.3 2,-0.3 -0.900 8.8-163.9-140.1 164.3 5.1 108.6 78.1 51 51 A A E -HI 20 206B 0 155,-2.1 155,-1.9 -2,-0.3 2,-0.3 -0.905 8.2-169.4-162.6 121.9 5.3 111.9 76.5 52 52 A L E -HI 19 205B 5 -33,-2.5 -33,-1.8 -2,-0.3 2,-0.7 -0.731 26.6-109.5-113.3 167.6 2.4 114.2 75.8 53 53 A Y E -H 18 0B 32 151,-1.8 151,-0.3 -2,-0.3 -35,-0.3 -0.875 24.7-134.1-106.6 119.8 2.0 117.3 73.8 54 54 A S S S+ 0 0 42 -37,-2.9 -1,-0.2 -2,-0.7 -36,-0.1 0.840 86.1 66.6 -31.2 -81.5 1.3 120.4 75.8 55 55 A T S S- 0 0 46 -38,-0.3 149,-0.4 -3,-0.1 2,-0.2 -0.142 84.7-130.0 -50.0 135.2 -1.6 121.9 73.9 56 56 A P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 147,-0.2 -0.518 18.2-124.3 -85.1 157.4 -4.7 119.8 74.0 57 57 A I B -O 202 0D 7 145,-3.9 145,-2.8 -2,-0.2 2,-1.9 -0.923 4.3-137.9-113.2 123.1 -6.6 118.9 70.9 58 58 A H + 0 0 21 -2,-0.6 143,-0.3 143,-0.3 3,-0.1 -0.507 28.8 175.9 -75.7 86.7 -10.1 119.6 70.3 59 59 A I - 0 0 0 -2,-1.9 9,-2.5 141,-0.5 2,-0.3 0.875 61.1 -7.9 -63.5 -37.8 -11.0 116.2 68.8 60 60 A W B -P 67 0E 41 140,-2.2 2,-0.5 139,-0.2 -1,-0.2 -0.960 59.0-130.4-165.6 148.0 -14.7 116.9 68.4 61 61 A D > - 0 0 56 5,-1.9 4,-1.7 -2,-0.3 5,-0.3 -0.877 4.7-161.7-110.0 126.7 -17.4 119.3 69.3 62 62 A K T 4 S+ 0 0 66 -2,-0.5 -1,-0.1 2,-0.2 5,-0.0 0.836 90.1 57.6 -73.8 -34.9 -20.6 118.3 70.8 63 63 A E T 4 S+ 0 0 98 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.977 121.4 27.9 -55.2 -57.5 -22.5 121.4 70.0 64 64 A T T 4 S- 0 0 57 2,-0.1 -2,-0.2 167,-0.1 -1,-0.2 0.613 98.3-132.9 -75.1 -23.0 -21.8 120.9 66.2 65 65 A G < + 0 0 53 -4,-1.7 -3,-0.2 1,-0.3 130,-0.1 0.472 55.2 152.9 77.5 -1.6 -21.5 117.2 66.4 66 66 A S - 0 0 18 -5,-0.3 -5,-1.9 165,-0.1 2,-0.4 -0.317 30.5-159.9 -68.8 141.6 -18.4 117.7 64.3 67 67 A V B -P 60 0E 26 -7,-0.2 -7,-0.2 -3,-0.1 2,-0.1 -0.967 14.7-128.7-121.0 140.2 -15.4 115.2 64.4 68 68 A A - 0 0 0 -9,-2.5 2,-0.4 -2,-0.4 162,-0.2 -0.411 4.9-141.7 -92.0 163.3 -12.0 116.0 63.4 69 69 A S E +D 229 0A 45 160,-2.2 160,-1.9 -2,-0.1 2,-0.4 -0.896 26.6 167.6-116.2 142.8 -9.5 114.5 61.2 70 70 A F E -DE 228 166A 17 96,-1.3 96,-2.9 -2,-0.4 2,-0.4 -0.981 18.2-159.7-146.6 164.9 -6.0 114.3 62.0 71 71 A A E -DE 227 165A 37 156,-2.0 156,-2.5 -2,-0.4 2,-0.3 -0.970 8.7-170.9-146.1 150.8 -2.9 112.7 60.9 72 72 A A E -DE 226 164A 2 92,-2.7 92,-3.1 -2,-0.4 2,-0.3 -0.995 2.4-174.2-144.6 148.3 0.3 112.2 62.6 73 73 A S E +DE 225 163A 42 152,-2.1 152,-2.5 -2,-0.3 2,-0.3 -0.950 12.2 151.9-137.5 158.2 3.7 110.9 61.6 74 74 A F E -DE 224 162A 1 88,-1.6 88,-1.8 -2,-0.3 2,-0.5 -0.914 34.7-122.9 179.3 153.6 6.9 110.1 63.4 75 75 A N E +DE 223 161A 54 148,-0.6 147,-3.2 -2,-0.3 148,-0.7 -0.950 33.4 171.9-114.5 120.3 10.0 108.0 63.2 76 76 A F E -DE 221 160A 1 84,-1.2 84,-2.0 -2,-0.5 2,-0.3 -0.761 11.0-166.6-119.4 171.6 10.9 105.7 66.0 77 77 A T E -D 220 0A 18 143,-2.2 143,-1.4 -2,-0.3 2,-0.4 -0.932 6.9-149.6-148.5 166.1 13.3 103.0 66.7 78 78 A F E -D 219 0A 2 80,-0.4 79,-1.9 -2,-0.3 2,-0.5 -0.998 4.4-150.9-146.6 136.2 14.0 100.3 69.2 79 79 A Y E +D 218 0A 83 139,-0.6 139,-2.9 -2,-0.4 77,-0.0 -0.930 17.1 177.0-111.6 131.1 17.1 98.7 70.6 80 80 A A > - 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