==== 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 SUGAR BINDING PROTEIN 23-NOV-00 1G9F . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR L.BUTS,T.W.HAMELRYCK,M.-H.DAO-THI,R.LORIS,L.WYNS,M.E.ETZLER . 234 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 65.0 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 . 98 41.9 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 . 1 0.4 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 . 1 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 . 19 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 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 . 4 1 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 66 0, 0.0 2,-0.5 0, 0.0 227,-0.0 0.000 360.0 360.0 360.0 155.9 114.6 -9.8 38.5 2 2 A E E +A 229 0A 91 227,-2.7 227,-3.2 54,-0.1 2,-0.3 -0.872 360.0 176.3-100.6 127.4 115.8 -8.0 35.4 3 3 A T E +A 228 0A 95 -2,-0.5 2,-0.3 225,-0.2 225,-0.2 -0.973 16.5 173.7-138.3 152.8 117.4 -4.7 36.2 4 4 A V E +A 227 0A 48 223,-1.7 223,-3.1 -2,-0.3 2,-0.3 -0.985 9.2 160.8-150.3 149.6 119.2 -1.8 34.5 5 5 A S E +A 226 0A 83 -2,-0.3 2,-0.3 221,-0.3 221,-0.3 -0.973 8.8 179.5-167.0 157.0 120.4 1.6 35.6 6 6 A F E -A 225 0A 21 219,-2.5 219,-2.8 -2,-0.3 2,-0.3 -0.978 7.4-161.5-158.2 159.7 122.8 4.5 34.7 7 7 A S E +A 224 0A 65 -2,-0.3 2,-0.4 217,-0.2 217,-0.2 -0.952 6.9 179.1-154.4 128.1 123.9 7.9 36.0 8 8 A W E -A 223 0A 37 215,-2.8 215,-2.0 -2,-0.3 3,-0.1 -0.997 20.5-166.1-132.2 132.6 125.6 10.9 34.5 9 9 A N S S+ 0 0 139 -2,-0.4 2,-0.3 213,-0.2 -1,-0.1 0.527 85.4 1.6 -89.4 -7.2 126.5 14.2 36.0 10 10 A K S S- 0 0 77 213,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.981 75.2-106.7-166.8 167.8 127.2 15.5 32.5 11 11 A F - 0 0 2 19,-1.7 -3,-0.0 -2,-0.3 -2,-0.0 -0.753 21.7-151.1-105.1 153.8 127.1 14.6 28.8 12 12 A V 0 0 75 -2,-0.3 16,-0.1 18,-0.1 15,-0.0 -0.988 360.0 360.0-125.3 134.0 130.1 14.0 26.5 13 13 A P 0 0 103 0, 0.0 14,-0.1 0, 0.0 12,-0.0 -0.247 360.0 360.0 -57.9 360.0 130.1 14.7 22.8 14 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 15 15 A Q > 0 0 43 0, 0.0 3,-1.0 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 118.7 129.1 9.4 23.4 16 16 A P T 3 + 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.407 360.0 71.9 -68.1 2.4 128.0 6.1 21.7 17 17 A N T 3 S+ 0 0 52 35,-0.1 35,-1.7 34,-0.0 2,-0.3 0.089 91.6 66.6-105.8 22.2 125.4 5.2 24.3 18 18 A M E < -H 51 0B 20 -3,-1.0 2,-0.5 33,-0.3 33,-0.2 -0.995 66.5-145.3-143.2 146.9 123.0 7.9 23.2 19 19 A I E -H 50 0B 57 31,-3.6 31,-2.9 -2,-0.3 2,-0.4 -0.961 15.5-160.0-116.4 121.7 120.9 8.6 20.1 20 20 A L E +H 49 0B 72 -2,-0.5 2,-0.3 29,-0.2 29,-0.2 -0.842 11.8 177.7-103.8 137.3 120.4 12.2 19.0 21 21 A Q E > +H 48 0B 26 27,-3.6 27,-2.5 -2,-0.4 3,-1.4 -0.908 50.5 2.4-132.0 160.1 117.6 13.2 16.6 22 22 A G E 3 S-H 47 0B 53 -2,-0.3 25,-0.3 25,-0.3 13,-0.1 -0.409 125.4 -25.8 67.8-138.6 116.5 16.6 15.3 23 23 A D T 3 S+ 0 0 56 23,-2.1 24,-0.2 11,-0.4 -1,-0.2 0.359 97.7 131.0 -92.7 3.6 118.6 19.6 16.3 24 24 A A < + 0 0 6 -3,-1.4 2,-0.3 22,-0.2 10,-0.2 -0.349 24.4 156.9 -64.1 134.0 119.9 18.0 19.5 25 25 A I B -B 33 0A 77 8,-2.5 8,-2.5 -2,-0.1 2,-0.5 -0.960 39.1-121.2-148.4 158.7 123.6 18.1 20.1 26 26 A V - 0 0 21 -2,-0.3 -6,-0.0 6,-0.2 -2,-0.0 -0.939 30.0-136.3-108.9 127.1 125.8 17.9 23.2 27 27 A T > - 0 0 35 -2,-0.5 3,-1.3 1,-0.1 -16,-0.1 -0.199 23.9-109.6 -72.6 169.8 128.1 21.0 23.8 28 28 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.694 118.1 67.4 -73.0 -17.6 131.7 20.7 24.8 29 29 A S T 3 0 0 109 -17,-0.0 -1,-0.3 1,-0.0 -18,-0.1 0.316 360.0 360.0 -83.7 7.8 130.5 22.1 28.1 30 30 A G < 0 0 14 -3,-1.3 -19,-1.7 -20,-0.1 -2,-0.1 0.749 360.0 360.0 80.2 360.0 128.7 18.8 28.7 31 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 32 32 A L 0 0 5 0, 0.0 188,-2.0 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 96.4 122.5 18.3 26.0 33 33 A Q B -BC 25 219A 48 -8,-2.5 -8,-2.5 186,-0.2 186,-0.2 -0.801 360.0-178.1 -90.9 109.5 121.2 21.2 23.9 34 34 A L + 0 0 0 184,-1.9 -11,-0.4 -2,-0.8 2,-0.3 0.753 62.9 47.0 -80.6 -26.2 117.9 20.1 22.4 35 35 A N S S- 0 0 0 183,-0.5 2,-0.1 11,-0.1 -10,-0.1 -0.920 84.9-108.4-123.7 147.5 117.2 23.2 20.3 36 36 A K - 0 0 112 -2,-0.3 6,-2.3 6,-0.1 2,-0.3 -0.406 38.1-177.2 -69.8 142.9 119.2 25.3 17.9 37 37 A V B O 41 0C 51 4,-0.2 -1,-0.0 -2,-0.1 0, 0.0 -0.882 360.0 360.0-135.7 164.9 120.2 28.8 19.1 38 38 A D 0 0 115 2,-1.5 -2,-0.0 -2,-0.3 0, 0.0 -0.763 360.0 360.0-162.1 360.0 122.1 31.8 17.6 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 42 A T 0 0 80 0, 0.0 -2,-1.5 0, 0.0 176,-0.1 0.000 360.0 360.0 360.0 134.1 118.5 33.0 21.5 41 43 A P B -O 37 0C 3 0, 0.0 -4,-0.2 0, 0.0 174,-0.1 -0.117 360.0-131.1 -51.5 139.1 116.2 30.1 20.4 42 44 A K > - 0 0 33 -6,-2.3 3,-0.7 172,-0.1 167,-0.2 -0.793 31.3-110.0 -93.4 133.6 115.5 29.6 16.7 43 45 A P T 3 S+ 0 0 62 0, 0.0 168,-0.2 0, 0.0 169,-0.1 -0.220 96.2 22.3 -62.9 154.7 111.8 29.2 15.9 44 46 A S T 3 S+ 0 0 56 166,-3.7 2,-0.4 169,-0.4 167,-0.1 0.803 85.1 154.4 58.8 33.9 110.5 25.8 14.8 45 47 A S < - 0 0 3 -3,-0.7 164,-1.8 165,-0.3 2,-0.4 -0.757 18.6-179.3 -93.7 138.4 113.4 23.9 16.3 46 48 A L E + I 0 208B 23 -2,-0.4 -23,-2.1 162,-0.2 2,-0.3 -0.976 7.0 162.7-141.8 125.0 113.0 20.3 17.3 47 49 A G E -HI 22 207B 0 160,-1.5 160,-1.7 -2,-0.4 2,-0.3 -0.987 9.5-175.2-140.3 148.8 115.5 17.9 18.9 48 50 A R E -HI 21 206B 2 -27,-2.5 -27,-3.6 -2,-0.3 2,-0.4 -0.982 7.6-159.6-143.3 152.0 115.3 14.6 20.8 49 51 A A E -HI 20 205B 0 156,-1.9 156,-2.1 -2,-0.3 2,-0.4 -0.988 9.5-167.3-133.1 140.9 117.8 12.4 22.6 50 52 A L E -HI 19 204B 2 -31,-2.9 -31,-3.6 -2,-0.4 2,-0.3 -0.994 28.7-117.0-135.5 137.3 117.4 8.7 23.4 51 53 A Y E -H 18 0B 29 152,-2.7 152,-0.4 -2,-0.4 -33,-0.3 -0.564 32.9-135.3 -67.4 126.2 119.3 6.4 25.6 52 54 A S S S+ 0 0 34 -35,-1.7 -1,-0.2 -2,-0.3 -34,-0.1 0.873 79.3 79.9 -54.7 -45.2 120.6 3.8 23.1 53 55 A T S S- 0 0 57 -36,-0.3 150,-0.3 1,-0.1 2,-0.1 -0.490 82.0-122.7 -75.0 129.8 119.8 0.7 25.0 54 56 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 148,-0.2 -0.421 23.2-137.1 -69.4 140.9 116.2 -0.6 25.0 55 57 A I E -J 201 0B 2 146,-3.6 146,-2.3 -2,-0.1 2,-1.1 -0.835 7.9-132.3-103.5 136.0 114.5 -1.0 28.3 56 58 A H E +J 200 0B 24 -2,-0.4 144,-0.2 144,-0.2 3,-0.1 -0.768 33.7 170.1 -87.9 99.4 112.4 -4.1 29.2 57 59 A I - 0 0 0 142,-2.4 9,-3.5 -2,-1.1 2,-0.3 0.874 60.0 -3.8 -79.7 -45.0 109.2 -2.4 30.7 58 60 A W B -P 65 0D 65 141,-1.2 2,-0.5 7,-0.2 -1,-0.3 -0.989 62.1-131.1-150.1 156.8 106.8 -5.3 31.0 59 61 A D 0 0 48 5,-2.4 4,-1.5 -2,-0.3 5,-0.0 -0.946 360.0 360.0-116.5 124.0 106.7 -9.0 30.1 60 62 A K 0 0 79 -2,-0.5 -1,-0.1 2,-0.2 0, 0.0 0.869 360.0 360.0 -61.7 360.0 103.8 -10.6 28.3 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 64 A T 0 0 95 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -26.5 104.9 -13.5 33.5 63 65 A G + 0 0 47 -4,-1.5 -3,-0.1 1,-0.3 2,-0.1 0.456 360.0 144.7 77.9 -0.8 102.7 -10.5 33.0 64 66 A S - 0 0 24 166,-0.2 -5,-2.4 -6,-0.1 2,-0.4 -0.414 38.6-147.1 -74.2 148.2 104.8 -8.5 35.5 65 67 A V B -P 58 0D 39 -7,-0.2 -7,-0.2 -3,-0.1 102,-0.1 -0.895 17.3-114.8-115.3 144.1 105.4 -4.8 34.9 66 68 A A - 0 0 0 -9,-3.5 2,-0.4 -2,-0.4 163,-0.2 -0.381 14.4-144.2 -78.6 154.0 108.6 -2.9 35.8 67 69 A S E +D 228 0A 21 161,-2.0 161,-2.7 99,-0.1 2,-0.3 -0.861 30.1 174.8-108.2 148.2 109.0 -0.1 38.4 68 70 A F E -DE 227 165A 12 97,-1.5 97,-2.7 -2,-0.4 2,-0.3 -0.977 23.6-154.5-153.1 166.4 111.4 2.6 37.5 69 71 A A E -DE 226 164A 11 157,-2.2 157,-2.3 -2,-0.3 2,-0.3 -0.995 11.1-178.8-144.4 141.3 112.8 6.0 38.6 70 72 A A E +DE 225 163A 0 93,-2.8 93,-3.4 -2,-0.3 2,-0.3 -0.998 1.7 177.8-142.6 140.2 114.4 8.8 36.5 71 73 A S E +DE 224 162A 25 153,-2.1 153,-2.4 -2,-0.3 2,-0.3 -0.978 7.0 159.8-140.6 153.4 115.9 12.1 37.6 72 74 A F E -DE 223 161A 1 89,-1.4 89,-2.7 -2,-0.3 2,-0.5 -0.976 33.2-123.7-167.1 159.3 117.5 15.0 35.7 73 75 A N E +DE 222 160A 47 149,-0.7 148,-3.8 -2,-0.3 149,-1.0 -0.942 37.7 165.0-111.8 128.8 118.4 18.6 35.9 74 76 A F E -DE 220 159A 0 85,-2.0 85,-3.1 -2,-0.5 2,-0.3 -0.900 14.1-173.7-139.2 169.0 117.2 20.9 33.1 75 77 A T E -D 219 0A 19 144,-1.7 144,-2.9 -2,-0.3 2,-0.3 -0.978 10.1-149.2-157.9 157.5 116.8 24.6 32.3 76 78 A F E -D 218 0A 6 81,-0.4 80,-2.2 78,-0.3 2,-0.5 -0.934 7.2-147.7-130.8 154.3 115.3 26.8 29.7 77 79 A Y E -D 217 0A 84 140,-1.0 140,-2.1 -2,-0.3 3,-0.1 -0.990 13.4-174.4-125.4 122.1 116.3 30.3 28.5 78 80 A A - 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