==== 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 21-OCT-97 1SBF . COMPND 2 MOLECULE: SOYBEAN AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR L.R.OLSEN,A.DESSEN,D.GUPTA,S.SABESAN,C.F.BREWER,J.C.SACCHETT . 234 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 65.4 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 . 100 42.7 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 . 2 0.9 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 . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 3 0 1 2 2 3 1 1 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 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 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 95 0, 0.0 2,-0.4 0, 0.0 230,-0.1 0.000 360.0 360.0 360.0 172.8 114.5 -9.9 38.4 2 2 A E E +A 232 0A 86 230,-1.3 230,-3.3 56,-0.1 2,-0.4 -0.962 360.0 176.6-148.6 121.6 116.0 -7.9 35.5 3 3 A T E +A 231 0A 92 -2,-0.4 2,-0.3 228,-0.2 228,-0.2 -0.987 15.9 178.3-133.7 159.9 117.5 -4.5 36.1 4 4 A V E +A 230 0A 49 226,-1.7 226,-2.6 -2,-0.4 2,-0.3 -0.981 11.0 166.0-153.7 149.1 119.3 -1.7 34.5 5 5 A S E +A 229 0A 86 -2,-0.3 2,-0.3 224,-0.2 224,-0.2 -0.991 7.3 176.9-159.0 164.4 120.6 1.6 35.6 6 6 A F E -A 228 0A 23 222,-1.9 222,-2.9 -2,-0.3 2,-0.3 -0.976 5.8-168.2-167.8 155.8 122.8 4.5 34.8 7 7 A S E +A 227 0A 75 -2,-0.3 2,-0.3 220,-0.2 220,-0.2 -0.983 6.4 173.5-153.4 138.9 123.9 7.9 36.0 8 8 A W E -A 226 0A 43 218,-1.4 218,-1.8 -2,-0.3 3,-0.1 -0.978 22.8-161.9-142.2 136.2 125.9 10.9 34.5 9 9 A N S S+ 0 0 98 -2,-0.3 2,-0.3 216,-0.2 218,-0.1 0.552 86.5 15.1 -90.8 -6.1 126.6 14.3 36.0 10 10 A K S S- 0 0 55 216,-0.1 2,-0.2 21,-0.0 21,-0.1 -0.966 74.2-116.8-160.2 160.0 127.4 15.4 32.4 11 11 A F - 0 0 14 19,-1.1 21,-0.0 -2,-0.3 -2,-0.0 -0.599 22.4-146.5 -97.4 158.0 127.1 14.5 28.7 12 12 A V > - 0 0 52 -2,-0.2 3,-2.2 18,-0.1 16,-0.1 -0.996 29.0-106.5-130.2 122.4 130.2 13.9 26.4 13 13 A P T 3 S+ 0 0 72 0, 0.0 14,-0.1 0, 0.0 19,-0.0 -0.216 104.5 12.6 -54.8 138.6 130.0 14.8 22.8 14 14 A K T 3 S+ 0 0 99 1,-0.2 4,-0.1 12,-0.1 11,-0.0 0.599 83.5 173.7 70.3 13.5 129.7 11.9 20.5 15 15 A Q X - 0 0 29 -3,-2.2 3,-1.0 1,-0.2 -1,-0.2 -0.276 28.3-143.0 -57.5 130.1 128.9 9.6 23.5 16 16 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.414 90.7 65.0 -80.8 2.9 128.0 6.2 21.9 17 17 A N T 3 S+ 0 0 50 37,-0.1 37,-2.3 36,-0.0 38,-0.4 0.147 92.0 72.0-110.4 12.0 125.2 5.4 24.3 18 18 A M E < -H 53 0B 25 -3,-1.0 2,-0.5 35,-0.2 35,-0.2 -0.971 66.8-147.4-126.9 137.7 122.9 8.2 23.3 19 19 A I E -H 52 0B 50 33,-3.5 33,-2.9 -2,-0.4 2,-0.4 -0.952 16.0-157.8-105.4 130.0 120.9 8.6 20.2 20 20 A L E +H 51 0B 72 -2,-0.5 2,-0.3 31,-0.2 31,-0.2 -0.908 12.7 177.4-111.7 135.6 120.3 12.2 19.0 21 21 A Q E > -H 50 0B 25 29,-3.0 29,-2.6 -2,-0.4 3,-1.4 -0.933 50.5 -0.1-131.6 156.7 117.6 13.3 16.7 22 22 A G E 3 S-H 49 0B 56 -2,-0.3 27,-0.3 27,-0.3 13,-0.1 -0.515 125.2 -25.6 73.8-132.5 116.5 16.6 15.3 23 23 A D T 3 S+ 0 0 66 25,-1.5 -1,-0.2 11,-0.4 26,-0.2 0.261 96.9 133.0 -98.6 1.0 118.6 19.6 16.3 24 24 A A < + 0 0 8 -3,-1.4 2,-0.3 24,-0.3 10,-0.2 -0.391 26.8 160.1 -61.7 133.6 119.8 18.0 19.5 25 25 A I E -B 33 0A 76 8,-2.5 8,-2.8 -2,-0.1 2,-0.6 -0.961 37.3-119.9-144.1 166.5 123.6 18.2 20.2 26 26 A V E -B 32 0A 21 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.931 27.1-142.9-115.8 118.7 126.0 17.9 23.0 27 27 A T > - 0 0 23 4,-2.2 3,-2.4 -2,-0.6 4,-0.2 -0.386 25.5-114.2 -71.2 160.3 128.1 20.9 23.8 28 28 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.747 116.4 69.3 -63.9 -20.4 131.8 20.8 24.9 29 29 A S T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.413 120.1-108.1 -79.1 1.3 130.3 22.2 28.1 30 30 A G S < S+ 0 0 11 -3,-2.4 -19,-1.1 1,-0.3 2,-0.4 0.767 74.0 136.2 80.0 23.4 128.6 18.9 28.8 31 31 A K - 0 0 12 -4,-0.2 -4,-2.2 -21,-0.1 2,-1.1 -0.851 55.2-136.6-109.2 137.1 125.1 20.1 28.1 32 32 A L E -BC 26 223A 3 191,-2.7 191,-2.3 -2,-0.4 2,-0.8 -0.845 28.1-164.3 -87.7 97.9 122.5 18.2 26.1 33 33 A Q E -BC 25 222A 45 -8,-2.8 -8,-2.5 -2,-1.1 189,-0.2 -0.828 11.4-175.6 -94.7 106.5 121.2 21.1 24.1 34 34 A L + 0 0 0 187,-1.8 -11,-0.4 -2,-0.8 2,-0.4 0.705 60.8 49.2 -76.7 -25.6 118.0 20.1 22.5 35 35 A N S S- 0 0 0 186,-0.5 -1,-0.1 13,-0.1 -10,-0.1 -0.965 82.7-108.3-126.9 149.9 117.3 23.1 20.4 36 36 A K - 0 0 40 -2,-0.4 8,-2.0 8,-0.1 2,-0.4 -0.274 37.1-159.8 -72.4 140.4 119.2 25.2 17.9 37 37 A V B -O 43 0C 49 6,-0.2 4,-0.0 1,-0.1 -1,-0.0 -0.988 14.5-115.4-135.2 139.1 120.2 28.7 19.0 38 38 A D > - 0 0 50 4,-3.4 3,-1.5 -2,-0.4 6,-0.1 0.074 44.6 -93.3 -55.0 176.0 121.3 32.0 17.4 39 39 A E T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.966 129.8 49.9 -56.2 -54.5 124.8 33.5 17.7 40 40 A N T 3 S- 0 0 95 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.373 130.6 -96.8 -68.5 3.7 123.6 35.6 20.7 41 41 A G S < S+ 0 0 27 -3,-1.5 -2,-0.2 1,-0.2 179,-0.1 0.758 74.4 152.4 83.6 29.2 122.1 32.4 22.2 42 42 A T - 0 0 49 38,-0.1 -4,-3.4 177,-0.1 -1,-0.2 -0.817 47.1-117.8-100.5 118.4 118.6 33.0 20.9 43 43 A P B -O 37 0C 2 0, 0.0 -6,-0.2 0, 0.0 175,-0.1 -0.104 25.2-130.2 -51.8 141.2 116.4 30.0 20.3 44 44 A K > - 0 0 42 -8,-2.0 3,-0.7 173,-0.1 168,-0.2 -0.807 25.6-112.5 -99.0 136.6 115.3 29.5 16.7 45 45 A P T 3 S+ 0 0 58 0, 0.0 169,-0.2 0, 0.0 168,-0.1 -0.359 97.6 29.0 -67.9 148.7 111.6 29.0 16.1 46 46 A S T 3 S+ 0 0 55 167,-2.1 2,-0.3 170,-0.4 168,-0.1 0.802 83.0 153.7 70.8 31.0 110.5 25.6 14.9 47 47 A S < - 0 0 2 -3,-0.7 165,-1.3 166,-0.2 58,-0.4 -0.647 19.3-178.1 -86.0 145.3 113.4 23.8 16.5 48 48 A L E + I 0 211B 22 -2,-0.3 -25,-1.5 163,-0.2 2,-0.4 -0.873 6.8 166.1-151.2 111.7 113.0 20.1 17.4 49 49 A G E -HI 22 210B 0 161,-1.5 161,-2.0 -2,-0.3 2,-0.3 -0.977 6.4-179.6-126.5 140.2 115.5 18.0 19.1 50 50 A R E -HI 21 209B 2 -29,-2.6 -29,-3.0 -2,-0.4 2,-0.3 -0.926 5.9-166.9-131.5 158.2 115.2 14.6 20.7 51 51 A A E -HI 20 208B 5 157,-2.5 157,-2.6 -2,-0.3 2,-0.4 -0.973 5.3-167.6-148.7 132.8 117.6 12.4 22.5 52 52 A L E -HI 19 207B 3 -33,-2.9 -33,-3.5 -2,-0.3 155,-0.2 -0.992 29.3-114.3-127.0 137.7 117.2 8.7 23.4 53 53 A Y E -H 18 0B 31 153,-2.2 153,-0.3 -2,-0.4 -35,-0.2 -0.447 34.0-133.4 -62.4 129.7 119.2 6.4 25.7 54 54 A S S S+ 0 0 34 -37,-2.3 -1,-0.1 -2,-0.1 -36,-0.1 0.875 80.4 77.1 -62.3 -42.3 120.6 3.8 23.3 55 55 A T S S- 0 0 46 -38,-0.4 151,-0.3 1,-0.1 2,-0.1 -0.583 82.9-123.0 -78.9 130.7 119.8 0.6 25.1 56 56 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.434 23.4-134.9 -69.7 139.5 116.2 -0.6 25.0 57 57 A I E -J 204 0B 4 147,-3.8 147,-3.1 -2,-0.1 2,-0.8 -0.846 6.1-132.3-102.8 138.0 114.4 -1.1 28.3 58 58 A H E +J 203 0B 20 -2,-0.4 145,-0.2 145,-0.2 3,-0.1 -0.826 32.1 170.2 -90.8 101.8 112.3 -4.0 29.2 59 59 A I - 0 0 0 143,-2.4 9,-3.0 -2,-0.8 2,-0.3 0.714 58.8 -2.2 -94.3 -25.9 109.2 -2.5 30.7 60 60 A W B -P 67 0D 44 142,-1.5 2,-0.6 7,-0.3 -1,-0.3 -0.995 61.1-126.6-166.3 159.1 106.8 -5.4 31.0 61 61 A D > - 0 0 39 5,-2.9 4,-2.6 -2,-0.3 5,-0.2 -0.916 5.2-165.1-117.5 108.2 106.6 -9.1 30.2 62 62 A K T 4 S+ 0 0 61 -2,-0.6 -1,-0.1 2,-0.2 135,-0.0 0.848 93.9 50.3 -56.8 -32.7 103.7 -10.5 28.2 63 63 A E T 4 S+ 0 0 94 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.998 123.0 24.7 -67.8 -64.5 104.7 -14.0 29.4 64 64 A T T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.605 96.8-131.3 -75.0 -19.4 105.0 -13.5 33.2 65 65 A G < + 0 0 52 -4,-2.6 -3,-0.1 1,-0.3 132,-0.1 0.375 57.6 144.7 79.6 -7.3 102.6 -10.5 33.2 66 66 A S - 0 0 20 168,-0.2 -5,-2.9 -5,-0.2 2,-0.4 -0.359 35.6-155.3 -66.8 147.6 105.2 -8.5 35.3 67 67 A V B -P 60 0D 32 -7,-0.2 -7,-0.3 -3,-0.1 103,-0.1 -0.971 19.1-116.4-122.0 137.8 105.6 -4.8 34.9 68 68 A A - 0 0 0 -9,-3.0 2,-0.3 -2,-0.4 164,-0.2 -0.407 13.9-144.8 -72.9 149.2 108.8 -2.8 35.8 69 69 A S E +D 231 0A 41 162,-1.9 162,-2.7 100,-0.1 2,-0.3 -0.782 32.0 173.4 -98.2 149.7 109.0 -0.2 38.4 70 70 A F E -DE 230 168A 16 98,-1.6 98,-2.7 -2,-0.3 2,-0.3 -0.979 23.9-157.4-154.5 167.9 111.4 2.6 37.5 71 71 A A E -DE 229 167A 38 158,-2.1 158,-2.9 -2,-0.3 2,-0.4 -0.975 8.5-176.3-149.9 138.5 112.7 6.0 38.4 72 72 A A E -DE 228 166A 1 94,-2.4 94,-3.2 -2,-0.3 2,-0.3 -0.999 1.9-174.3-135.7 143.4 114.4 8.8 36.5 73 73 A S E +DE 227 165A 43 154,-1.8 154,-2.9 -2,-0.4 2,-0.3 -0.945 9.3 160.2-132.6 157.1 115.9 12.0 37.5 74 74 A F E -DE 226 164A 3 90,-1.6 90,-3.2 -2,-0.3 2,-0.4 -0.981 30.8-128.5-166.5 161.9 117.4 15.0 35.8 75 75 A N E +DE 225 163A 60 150,-0.8 149,-3.1 -2,-0.3 150,-1.0 -0.934 36.8 163.0-112.4 137.4 118.4 18.6 35.9 76 76 A F E -DE 223 162A 0 86,-2.2 86,-3.3 -2,-0.4 2,-0.3 -0.963 15.7-174.0-152.9 165.4 117.3 21.0 33.2 77 77 A T E -D 222 0A 19 145,-2.7 145,-3.4 -2,-0.3 2,-0.3 -0.970 8.4-152.4-153.7 166.3 116.8 24.6 32.3 78 78 A F E -D 221 0A 5 82,-0.4 81,-2.3 -2,-0.3 2,-0.4 -0.977 9.3-144.4-139.9 154.0 115.5 26.9 29.6 79 79 A Y E -D 220 0A 76 141,-0.9 141,-2.1 -2,-0.3 3,-0.1 -0.965 12.0-172.2-126.0 131.2 116.3 30.3 28.5 80 80 A A - 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