==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 30-JUL-06 2DV9 . COMPND 2 MOLECULE: GALACTOSE-BINDING LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; . AUTHOR S.K.NATCHIAR,O.SRINIVAS,N.MITRA,A.SUROLIA,N.JAYARAMAN, . 928 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 395 42.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 106 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 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 . 4 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 12 0 4 8 6 14 7 1 0 4 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 8 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 46 0, 0.0 2,-0.6 0, 0.0 241,-0.3 0.000 360.0 360.0 360.0 159.8 81.0 51.8 35.6 2 2 A E E -A 229 0A 11 227,-3.2 227,-3.5 239,-0.1 2,-0.4 -0.866 360.0-178.6 -99.3 120.6 83.6 49.0 35.8 3 3 A T E -A 228 0A 32 -2,-0.6 2,-0.4 225,-0.2 225,-0.2 -0.960 19.3-168.0-128.5 141.4 87.2 50.2 36.2 4 4 A V E +A 227 0A 10 223,-2.4 223,-3.0 -2,-0.4 2,-0.3 -0.988 21.4 160.8-122.9 126.9 90.6 48.5 36.4 5 5 A S E +A 226 0A 51 -2,-0.4 2,-0.3 221,-0.2 221,-0.2 -0.974 4.4 155.6-153.2 136.6 93.6 50.6 37.4 6 6 A F E -A 225 0A 24 219,-2.0 219,-2.5 -2,-0.3 2,-0.3 -0.937 21.5-151.2-149.6 168.0 97.1 49.9 38.8 7 7 A N E -A 224 0A 72 -2,-0.3 2,-0.7 217,-0.2 217,-0.3 -0.755 3.7-168.1-154.1 102.9 100.5 51.5 38.9 8 8 A F E +A 223 0A 17 215,-3.1 215,-2.4 -2,-0.3 3,-0.1 -0.817 9.5 175.2 -93.1 115.9 103.8 49.8 39.1 9 9 A N S S- 0 0 77 -2,-0.7 2,-0.3 225,-0.3 -1,-0.2 0.724 78.7 -9.1 -86.8 -26.3 106.7 52.2 39.9 10 10 A S S S- 0 0 44 224,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.875 75.8-125.8-154.4 179.7 109.0 49.2 40.1 11 11 A F - 0 0 9 19,-1.4 2,-0.3 -2,-0.3 224,-0.0 -0.800 15.0-171.2-133.4 175.5 108.7 45.4 40.2 12 12 A S > - 0 0 24 -2,-0.3 3,-1.4 3,-0.1 6,-0.1 -0.919 31.6-108.8-167.3 139.2 109.7 42.4 42.3 13 13 A E T 3 S+ 0 0 129 -2,-0.3 12,-0.0 1,-0.2 -2,-0.0 -0.402 105.1 42.3 -66.2 149.8 109.6 38.6 41.9 14 14 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.2 4,-0.2 3,-0.0 0.269 76.0 132.5 96.6 -14.7 107.0 37.2 44.2 15 15 A N X - 0 0 8 -3,-1.4 3,-1.8 1,-0.2 -1,-0.3 -0.637 49.0-152.4 -75.4 113.1 104.4 39.8 43.5 16 16 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 269,-0.1 0.709 87.6 73.7 -58.5 -20.7 101.1 37.9 42.8 17 17 A A T 3 S+ 0 0 4 32,-0.1 32,-2.2 266,-0.1 2,-0.4 0.484 93.0 64.5 -74.1 -1.1 99.9 40.8 40.5 18 18 A I E < -H 48 0B 10 -3,-1.8 2,-0.5 30,-0.2 30,-0.2 -0.983 64.7-155.0-132.7 132.5 102.3 39.7 37.8 19 19 A N E -H 47 0B 51 28,-2.6 28,-2.3 -2,-0.4 2,-0.5 -0.876 15.0-155.2-101.6 127.8 102.6 36.6 35.7 20 20 A F E -H 46 0B 73 -2,-0.5 2,-0.4 26,-0.2 26,-0.2 -0.905 11.8-176.2-107.8 128.6 106.1 35.8 34.3 21 21 A Q E -H 45 0B 19 24,-3.3 24,-3.0 -2,-0.5 3,-0.2 -0.971 49.5 -17.5-124.2 138.0 106.5 33.7 31.2 22 22 A G E S-H 44 0B 52 -2,-0.4 2,-0.6 22,-0.2 22,-0.3 -0.398 121.1 -8.3 76.8-148.8 109.8 32.5 29.6 23 23 A D S S+ 0 0 30 20,-3.1 21,-0.2 11,-0.1 -1,-0.2 -0.033 87.6 145.2 -79.4 33.8 113.2 34.0 30.4 24 24 A V + 0 0 23 -2,-0.6 2,-0.3 -3,-0.2 10,-0.2 -0.479 21.0 173.9 -75.8 144.6 111.9 36.9 32.4 25 25 A T E -B 33 0A 53 8,-2.4 8,-3.1 -2,-0.2 2,-0.5 -0.936 27.3-128.2-144.0 163.5 113.9 38.1 35.4 26 26 A V E -B 32 0A 24 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.967 19.9-143.2-122.4 118.8 113.9 40.9 37.9 27 27 A L > - 0 0 59 4,-2.6 3,-2.6 -2,-0.5 -16,-0.2 -0.427 28.5-111.1 -75.1 152.2 117.0 43.1 38.5 28 28 A S T 3 S+ 0 0 142 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.582 116.9 66.0 -61.0 -8.8 117.7 44.3 42.0 29 29 A N T 3 S- 0 0 94 2,-0.1 -1,-0.3 -19,-0.0 3,-0.1 0.387 122.3-104.9 -92.8 3.3 116.9 47.8 40.9 30 30 A G S < S+ 0 0 8 -3,-2.6 -19,-1.4 1,-0.3 -2,-0.1 0.328 77.5 135.7 92.7 -8.3 113.3 46.7 40.4 31 31 A N - 0 0 13 -21,-0.1 -4,-2.6 -5,-0.1 2,-0.5 -0.431 53.1-130.3 -74.9 148.4 113.5 46.6 36.6 32 32 A I E -BC 26 220A 0 188,-2.3 188,-2.2 -6,-0.2 2,-0.6 -0.855 16.8-157.2 -96.9 130.9 112.0 43.6 34.7 33 33 A Q E -BC 25 219A 30 -8,-3.1 -8,-2.4 -2,-0.5 186,-0.2 -0.960 4.0-166.5-110.8 118.3 114.4 42.1 32.2 34 34 A L + 0 0 0 184,-2.4 2,-0.3 -2,-0.6 174,-0.2 0.872 59.8 48.6 -75.9 -39.0 112.6 40.3 29.5 35 35 A T S S- 0 0 6 183,-0.4 2,-0.6 181,-0.1 183,-0.2 -0.736 71.4-124.1-113.1 158.5 115.3 38.2 27.7 36 36 A N > - 0 0 59 -2,-0.3 3,-1.2 1,-0.1 6,-0.2 -0.826 14.7-152.4 -94.5 118.0 118.2 35.9 28.6 37 37 A L T 3 S+ 0 0 44 -2,-0.6 -1,-0.1 1,-0.2 180,-0.0 0.615 94.7 46.7 -66.6 -11.8 121.5 37.2 27.1 38 38 A N T 3 S+ 0 0 137 2,-0.1 2,-0.4 177,-0.0 -1,-0.2 0.401 93.3 90.9-111.7 1.1 122.8 33.6 27.0 39 39 A K S X S- 0 0 93 -3,-1.2 3,-0.8 -16,-0.1 2,-0.3 -0.789 72.4-126.4-102.1 142.9 119.9 31.8 25.4 40 40 A V T 3 S+ 0 0 72 -2,-0.4 172,-0.2 1,-0.3 171,-0.1 -0.648 96.7 4.8 -81.2 139.2 119.3 31.2 21.7 41 41 A N T 3 S- 0 0 58 -2,-0.3 -1,-0.3 1,-0.2 170,-0.2 0.880 93.0-166.5 52.9 43.8 115.9 32.4 20.6 42 42 A S < - 0 0 3 -3,-0.8 168,-1.5 169,-0.3 2,-0.4 -0.349 9.3-171.9 -64.8 137.0 115.2 33.8 24.1 43 43 A V E + I 0 209B 11 166,-0.2 -20,-3.1 59,-0.1 2,-0.4 -0.995 8.6 171.2-135.5 130.4 111.6 34.7 24.9 44 44 A G E +HI 22 208B 0 164,-2.2 164,-2.3 -2,-0.4 2,-0.3 -1.000 2.6 174.0-139.3 137.4 110.3 36.6 28.0 45 45 A R E -HI 21 207B 3 -24,-3.0 -24,-3.3 -2,-0.4 2,-0.4 -0.993 12.8-161.7-143.9 149.3 106.9 38.0 28.7 46 46 A V E -HI 20 206B 4 160,-2.2 160,-2.0 -2,-0.3 2,-0.3 -0.982 12.7-169.7-131.0 140.6 105.2 39.6 31.7 47 47 A L E -HI 19 205B 2 -28,-2.3 -28,-2.6 -2,-0.4 2,-0.8 -0.965 34.2-106.6-133.5 150.6 101.5 40.0 32.2 48 48 A Y E -H 18 0B 6 156,-2.7 156,-0.3 -2,-0.3 -30,-0.2 -0.663 39.9-135.1 -73.5 112.1 99.1 41.8 34.6 49 49 A A S S+ 0 0 16 -32,-2.2 -1,-0.2 -2,-0.8 -31,-0.1 0.788 81.0 73.1 -37.3 -51.2 97.9 38.8 36.6 50 50 A M S S- 0 0 11 -33,-0.3 2,-0.1 1,-0.1 200,-0.1 -0.509 85.4-120.2 -77.4 133.0 94.2 39.6 36.6 51 51 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 152,-0.2 -0.446 25.9-139.8 -70.1 144.1 92.2 39.2 33.4 52 52 A V E -J 202 0B 1 150,-3.4 150,-1.9 -2,-0.1 2,-1.1 -0.917 3.5-138.8-111.9 127.9 90.5 42.4 32.2 53 53 A R E +J 201 0B 35 -2,-0.5 148,-0.2 148,-0.2 147,-0.1 -0.707 25.1 175.0 -84.2 100.9 87.0 42.5 30.7 54 54 A I + 0 0 5 146,-1.8 9,-3.4 -2,-1.1 2,-0.3 0.654 63.7 11.4 -84.4 -16.6 87.3 44.8 27.7 55 55 A W B -O 62 0C 39 145,-0.8 2,-0.5 7,-0.2 7,-0.2 -0.987 67.8-127.4-158.2 153.8 83.8 44.4 26.4 56 56 A S > - 0 0 5 5,-1.6 4,-2.5 -2,-0.3 5,-0.1 -0.913 0.6-157.3-109.7 128.5 80.4 42.9 27.5 57 57 A S T 4 S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.714 96.5 57.3 -71.3 -20.4 78.4 40.5 25.4 58 58 A A T 4 S+ 0 0 90 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.939 122.1 19.1 -76.0 -50.3 75.3 41.6 27.3 59 59 A T T 4 S- 0 0 60 2,-0.1 -2,-0.2 171,-0.1 -1,-0.1 0.792 92.6-130.4 -91.9 -32.0 75.5 45.4 26.5 60 60 A G < + 0 0 26 -4,-2.5 -3,-0.1 1,-0.3 135,-0.1 0.329 59.3 142.9 95.2 -5.2 77.7 45.3 23.5 61 61 A N - 0 0 50 169,-0.1 -5,-1.6 -5,-0.1 2,-0.4 -0.232 38.7-150.7 -68.7 154.5 79.8 48.0 25.0 62 62 A V B -O 55 0C 19 -7,-0.2 168,-0.3 -3,-0.1 -7,-0.2 -0.974 17.7-118.5-128.1 142.6 83.6 48.3 24.8 63 63 A A - 0 0 4 -9,-3.4 2,-0.3 -2,-0.4 166,-0.2 -0.331 15.3-142.9 -79.4 160.5 86.0 49.8 27.3 64 64 A S E -D 228 0A 12 164,-1.8 164,-2.1 820,-0.1 2,-0.3 -0.790 21.8-164.4-113.1 159.3 88.4 52.7 26.8 65 65 A F E -DE 227 167A 3 102,-1.5 102,-2.2 -2,-0.3 2,-0.5 -0.981 21.4-161.3-156.2 143.0 91.8 52.8 28.4 66 66 A L E +DE 226 166A 22 160,-2.5 160,-2.2 -2,-0.3 2,-0.3 -0.981 26.3 164.6-117.7 129.3 94.7 55.1 29.3 67 67 A T E -DE 225 165A 2 98,-2.1 98,-3.1 -2,-0.5 2,-0.3 -0.997 14.7-172.3-148.0 147.0 98.1 53.5 30.0 68 68 A S E +DE 224 164A 36 156,-2.0 156,-2.9 -2,-0.3 2,-0.3 -0.993 10.7 162.9-139.7 146.5 101.7 54.6 30.2 69 69 A F E -DE 223 163A 5 94,-2.1 94,-2.8 -2,-0.3 2,-0.4 -0.985 23.1-140.7-157.6 162.1 105.0 52.8 30.6 70 70 A S E +DE 222 162A 12 152,-1.3 151,-3.0 -2,-0.3 152,-1.2 -0.989 22.8 173.1-131.1 140.7 108.8 53.3 30.2 71 71 A F E -DE 220 161A 2 90,-1.9 90,-2.7 -2,-0.4 2,-0.3 -0.858 15.5-147.7-139.3 173.3 111.3 50.8 28.8 72 72 A E E -DE 219 160A 21 147,-2.1 147,-2.7 -2,-0.3 2,-0.4 -0.999 5.1-168.6-147.8 142.9 115.0 50.5 27.9 73 73 A M E -D 218 0A 3 86,-0.6 85,-2.4 83,-0.4 86,-0.5 -0.994 13.9-177.2-131.8 123.0 117.0 48.6 25.3 74 74 A K E -D 217 0A 98 143,-1.3 143,-2.3 -2,-0.4 83,-0.1 -0.968 22.6-121.6-124.7 140.1 120.8 48.5 25.6 75 75 A D - 0 0 74 -2,-0.4 2,-0.3 141,-0.2 141,-0.1 -0.200 25.6-165.8 -71.3 167.0 123.4 46.9 23.2 76 76 A I - 0 0 39 3,-0.4 2,-0.4 139,-0.3 139,-0.1 -0.894 31.1 -61.2-144.3 170.0 125.9 44.3 24.3 77 77 A K S S- 0 0 167 -2,-0.3 3,-0.1 1,-0.3 139,-0.0 -0.867 103.9 -13.9-100.8 135.6 129.0 42.7 22.9 78 78 A D S S+ 0 0 121 -2,-0.4 -1,-0.3 1,-0.1 2,-0.1 -0.771 102.2 99.3-123.2 34.1 129.1 41.3 20.4 79 79 A Y S S- 0 0 81 1,-0.1 -3,-0.4 135,-0.0 135,-0.2 -0.404 74.5-101.7 -82.3 157.8 125.5 40.5 19.4 80 80 A D B -p 214 0D 88 133,-2.5 135,-1.6 -2,-0.1 2,-0.9 -0.646 44.9-107.0 -78.5 125.7 123.3 42.3 16.9 81 81 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.385 64.1-169.3 -58.5 97.4 120.9 44.6 18.8 82 82 A A - 0 0 2 -2,-0.9 2,-0.1 129,-0.1 129,-0.1 -0.951 15.8 -9.7-153.7 165.4 117.6 42.7 18.4 83 83 A D - 0 0 4 -2,-0.3 41,-2.1 132,-0.2 42,-0.5 -0.956 62.3-136.4-108.4 -23.1 114.8 42.1 18.4 84 84 A G E -KL 123 209B 0 125,-0.6 125,-0.8 39,-0.2 2,-0.3 -0.832 17.5 -80.8 139.0-176.7 112.6 44.5 20.3 85 85 A I E -KL 122 208B 2 37,-1.5 37,-3.6 -2,-0.3 2,-0.4 -0.933 27.5-162.8-128.2 150.2 109.7 44.9 22.7 86 86 A I E -KL 121 207B 0 121,-2.0 121,-1.4 -2,-0.3 2,-0.6 -0.974 13.7-150.4-140.3 126.2 105.9 44.7 22.3 87 87 A F E -KL 120 206B 3 33,-2.7 33,-2.6 -2,-0.4 2,-0.3 -0.817 39.8-179.1 -86.7 120.1 103.0 45.9 24.5 88 88 A F E -KL 119 205B 1 117,-2.4 117,-1.8 -2,-0.6 2,-0.4 -0.843 33.1-153.1-131.1 166.1 100.2 43.4 23.8 89 89 A I E +KL 118 204B 4 29,-2.5 29,-2.3 -2,-0.3 115,-0.2 -0.986 33.2 146.9-130.1 137.0 96.7 42.4 24.5 90 90 A A E - 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