==== 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 31-JUL-06 2DVD . 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) . 32727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 654 70.5 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 . 396 42.7 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 . 126 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 1.9 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 6 2 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 47 0, 0.0 2,-0.7 0, 0.0 241,-0.3 0.000 360.0 360.0 360.0 147.7 80.3 51.7 35.2 2 2 A E E -A 229 0A 12 227,-3.3 227,-3.2 239,-0.1 2,-0.4 -0.896 360.0-178.3-104.7 114.3 82.8 48.8 35.4 3 3 A T E -A 228 0A 29 -2,-0.7 2,-0.5 225,-0.2 225,-0.2 -0.918 19.7-170.3-121.6 139.4 86.3 50.0 35.8 4 4 A V E +A 227 0A 7 223,-2.3 223,-2.6 -2,-0.4 2,-0.4 -0.992 20.5 164.1-123.3 120.7 89.7 48.3 36.1 5 5 A S E +A 226 0A 49 -2,-0.5 2,-0.3 221,-0.2 221,-0.2 -0.980 2.7 156.3-144.8 131.8 92.7 50.5 37.1 6 6 A F E -A 225 0A 25 219,-1.9 219,-2.9 -2,-0.4 2,-0.3 -0.930 21.5-152.9-144.8 166.1 96.1 49.7 38.4 7 7 A N E -A 224 0A 76 -2,-0.3 2,-0.7 217,-0.3 217,-0.3 -0.836 2.7-167.1-152.2 108.4 99.5 51.3 38.5 8 8 A F E +A 223 0A 16 215,-3.4 215,-2.3 -2,-0.3 3,-0.1 -0.861 11.9 172.7 -97.6 114.3 102.9 49.5 38.7 9 9 A N S S- 0 0 75 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.637 79.9 -11.1 -90.1 -18.9 105.8 51.9 39.5 10 10 A S S S- 0 0 35 224,-0.2 -1,-0.3 -3,-0.1 2,-0.3 -0.928 75.8-120.2-164.3 175.4 108.0 48.8 39.7 11 11 A F - 0 0 7 19,-1.9 2,-0.3 -2,-0.3 3,-0.0 -0.804 12.6-165.4-129.0 168.8 107.6 45.0 39.8 12 12 A S > - 0 0 20 -2,-0.3 3,-1.6 3,-0.1 6,-0.1 -0.970 27.7-127.5-153.1 138.8 108.4 42.0 42.0 13 13 A E T 3 S+ 0 0 152 -2,-0.3 7,-0.1 1,-0.3 5,-0.1 0.781 107.5 53.9 -60.9 -29.1 108.4 38.3 41.1 14 14 A G T 3 S+ 0 0 32 -3,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.466 76.8 118.5 -86.2 0.2 106.1 37.3 44.0 15 15 A N X - 0 0 8 -3,-1.6 3,-1.8 1,-0.2 -3,-0.1 -0.553 53.4-156.6 -71.9 109.4 103.4 39.8 43.0 16 16 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 269,-0.1 0.639 85.1 76.5 -60.4 -15.0 100.2 37.7 42.2 17 17 A A T 3 S+ 0 0 6 32,-0.1 32,-2.5 1,-0.1 2,-0.4 0.485 90.6 67.4 -76.5 -0.3 98.9 40.6 40.0 18 18 A I E < -H 48 0B 12 -3,-1.8 2,-0.6 30,-0.3 30,-0.2 -0.970 67.1-153.1-130.7 125.3 101.4 39.6 37.3 19 19 A N E -H 47 0B 50 28,-3.1 28,-2.4 -2,-0.4 2,-0.5 -0.810 17.4-155.2 -91.3 123.1 101.5 36.4 35.2 20 20 A F E -H 46 0B 68 -2,-0.6 2,-0.4 26,-0.2 26,-0.2 -0.859 12.7-175.8-102.1 132.0 105.0 35.6 34.0 21 21 A Q E > -H 45 0B 18 24,-2.8 24,-2.8 -2,-0.5 3,-0.6 -0.986 46.1 -22.8-129.5 138.6 105.5 33.6 30.9 22 22 A G E 3 S-H 44 0B 53 -2,-0.4 22,-0.3 22,-0.2 13,-0.1 -0.350 120.3 -7.3 72.2-146.2 108.7 32.3 29.3 23 23 A D T 3 S+ 0 0 33 20,-2.9 21,-0.2 11,-0.1 -1,-0.2 0.118 88.7 142.3 -76.8 21.6 112.2 33.8 29.9 24 24 A V < + 0 0 22 -3,-0.6 2,-0.3 19,-0.2 10,-0.2 -0.362 24.1 177.5 -66.8 143.4 110.8 36.8 31.9 25 25 A T E -B 33 0A 67 8,-2.6 8,-3.6 10,-0.1 2,-0.5 -0.974 25.0-130.9-144.5 154.2 112.9 37.9 34.9 26 26 A V E -B 32 0A 24 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.945 22.0-140.9-112.3 125.8 112.7 40.7 37.4 27 27 A L > - 0 0 54 4,-3.0 3,-2.3 -2,-0.5 -16,-0.2 -0.411 26.3-110.0 -81.1 158.3 115.8 42.8 38.1 28 28 A S T 3 S+ 0 0 128 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.687 117.8 63.5 -60.6 -18.3 116.8 44.0 41.6 29 29 A N T 3 S- 0 0 93 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.351 121.9-105.5 -88.7 6.9 115.8 47.5 40.5 30 30 A G S < S+ 0 0 3 -3,-2.3 -19,-1.9 1,-0.3 -2,-0.1 0.335 78.5 133.9 88.4 -8.8 112.2 46.5 40.1 31 31 A N - 0 0 10 -21,-0.2 -4,-3.0 -5,-0.1 2,-0.5 -0.428 54.3-128.9 -74.5 149.5 112.4 46.4 36.3 32 32 A I E -BC 26 220A 0 188,-2.6 188,-2.4 -6,-0.2 2,-0.6 -0.855 15.8-158.8 -99.0 133.4 111.0 43.5 34.3 33 33 A Q E -BC 25 219A 28 -8,-3.6 -8,-2.6 -2,-0.5 186,-0.2 -0.963 3.6-167.2-113.7 114.7 113.4 42.0 31.8 34 34 A L + 0 0 0 184,-2.4 2,-0.3 -2,-0.6 174,-0.2 0.863 60.6 49.0 -73.4 -39.6 111.5 40.1 29.1 35 35 A T S S- 0 0 6 183,-0.4 2,-0.8 181,-0.2 183,-0.2 -0.726 73.4-123.9-110.0 157.7 114.2 38.0 27.3 36 36 A N > - 0 0 64 -2,-0.3 3,-1.7 1,-0.1 6,-0.2 -0.856 17.8-152.7 -95.4 110.6 117.1 35.7 28.3 37 37 A L T 3 S+ 0 0 40 -2,-0.8 -1,-0.1 1,-0.3 5,-0.0 0.668 93.1 49.1 -56.3 -20.7 120.2 37.1 26.7 38 38 A N T 3 S+ 0 0 139 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.443 94.0 89.0-102.5 0.2 121.8 33.7 26.6 39 39 A K S X S- 0 0 94 -3,-1.7 3,-0.8 -16,-0.1 2,-0.2 -0.820 74.1-123.2-105.2 139.7 119.0 31.7 25.0 40 40 A V T 3 S+ 0 0 73 -2,-0.4 172,-0.2 1,-0.3 171,-0.1 -0.495 96.6 5.2 -72.8 141.9 118.3 31.1 21.3 41 41 A N T 3 S- 0 0 58 -2,-0.2 -1,-0.3 1,-0.1 170,-0.2 0.891 92.0-166.2 49.3 47.1 114.9 32.3 20.2 42 42 A S < - 0 0 2 -3,-0.8 168,-1.9 169,-0.3 2,-0.4 -0.332 11.5-176.4 -66.7 144.4 114.2 33.8 23.6 43 43 A V E + I 0 209B 9 166,-0.2 -20,-2.9 59,-0.1 2,-0.4 -0.978 7.2 169.9-145.1 127.7 110.6 34.7 24.5 44 44 A G E +HI 22 208B 0 164,-2.0 164,-1.9 -2,-0.4 2,-0.3 -0.999 5.2 178.7-139.5 137.1 109.3 36.4 27.6 45 45 A R E -HI 21 207B 2 -24,-2.8 -24,-2.8 -2,-0.4 2,-0.4 -0.976 12.3-159.3-139.4 152.4 105.9 37.9 28.3 46 46 A V E -HI 20 206B 4 160,-2.6 160,-2.4 -2,-0.3 2,-0.3 -0.997 12.6-172.6-133.0 135.9 104.2 39.5 31.3 47 47 A L E -HI 19 205B 2 -28,-2.4 -28,-3.1 -2,-0.4 2,-0.6 -0.964 35.5-109.5-131.3 147.3 100.5 39.8 31.8 48 48 A Y E -H 18 0B 9 156,-2.8 -30,-0.3 -2,-0.3 156,-0.3 -0.666 39.5-134.4 -70.6 119.9 98.2 41.6 34.2 49 49 A A S S+ 0 0 18 -32,-2.5 -1,-0.2 -2,-0.6 -31,-0.1 0.734 79.8 79.5 -50.8 -32.5 97.0 38.5 36.1 50 50 A M S S- 0 0 10 -33,-0.4 154,-0.3 1,-0.1 200,-0.1 -0.647 83.6-120.3 -87.7 133.2 93.3 39.5 36.1 51 51 A P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 152,-0.2 -0.437 26.1-145.6 -67.0 141.0 91.1 39.0 33.1 52 52 A V E -J 202 0B 1 150,-3.7 150,-2.6 -2,-0.1 2,-1.0 -0.946 5.5-139.7-113.1 126.3 89.6 42.3 31.8 53 53 A R E +J 201 0B 30 -2,-0.5 148,-0.2 148,-0.2 147,-0.1 -0.749 24.7 175.8 -85.0 105.8 86.2 42.3 30.3 54 54 A I + 0 0 3 146,-1.7 9,-3.3 -2,-1.0 2,-0.3 0.599 63.6 16.0 -87.4 -14.0 86.5 44.7 27.4 55 55 A W B -O 62 0C 37 145,-0.9 2,-0.5 7,-0.3 7,-0.2 -0.988 68.9-126.7-158.4 152.3 83.0 44.3 26.1 56 56 A S > - 0 0 9 5,-2.4 4,-2.5 -2,-0.3 5,-0.1 -0.881 3.7-163.2-107.3 129.0 79.6 43.0 27.1 57 57 A S T 4 S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.784 96.1 56.3 -73.7 -27.3 77.6 40.4 25.1 58 58 A A T 4 S+ 0 0 90 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.829 125.4 17.1 -74.2 -34.3 74.6 41.5 27.1 59 59 A T T 4 S- 0 0 51 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.615 91.4-129.2-113.0 -19.2 74.8 45.2 26.2 60 60 A G < + 0 0 25 -4,-2.5 -3,-0.1 1,-0.3 2,-0.1 0.437 59.6 145.7 82.1 -2.7 77.0 45.2 23.1 61 61 A N - 0 0 49 169,-0.1 -5,-2.4 -5,-0.1 2,-0.4 -0.381 35.9-154.9 -71.0 146.4 79.1 47.9 24.9 62 62 A V B -O 55 0C 18 -7,-0.2 168,-0.3 -3,-0.1 -7,-0.3 -0.940 17.4-119.7-121.3 143.9 82.8 48.1 24.5 63 63 A A - 0 0 4 -9,-3.3 2,-0.3 -2,-0.4 166,-0.2 -0.418 13.2-142.4 -83.4 157.2 85.2 49.7 27.0 64 64 A S E -D 228 0A 11 164,-1.8 164,-2.2 820,-0.2 2,-0.3 -0.766 23.1-166.3-107.6 158.0 87.6 52.6 26.5 65 65 A F E -DE 227 167A 3 102,-1.7 102,-2.5 -2,-0.3 2,-0.4 -0.998 20.1-158.3-151.8 149.6 91.0 52.5 28.2 66 66 A L E +DE 226 166A 19 160,-2.8 160,-2.0 -2,-0.3 2,-0.4 -0.997 24.5 169.3-123.8 127.3 93.9 54.8 29.0 67 67 A T E -DE 225 165A 1 98,-2.2 98,-2.9 -2,-0.4 2,-0.4 -0.995 13.8-173.0-145.9 137.9 97.2 53.2 29.6 68 68 A S E +DE 224 164A 37 156,-1.8 156,-3.0 -2,-0.4 2,-0.3 -0.967 12.3 162.9-128.0 144.8 100.8 54.5 30.0 69 69 A F E -DE 223 163A 5 94,-2.1 94,-2.8 -2,-0.4 2,-0.4 -0.986 23.4-143.6-155.4 159.3 104.0 52.6 30.3 70 70 A S E +DE 222 162A 12 152,-1.3 151,-2.9 -2,-0.3 152,-1.3 -0.988 22.2 173.0-129.5 139.5 107.8 53.1 29.9 71 71 A F E -DE 220 161A 1 90,-1.9 90,-3.0 -2,-0.4 2,-0.3 -0.871 16.5-147.7-137.8 171.6 110.3 50.6 28.6 72 72 A E E -DE 219 160A 22 147,-2.4 147,-3.1 -2,-0.3 2,-0.5 -0.990 4.7-168.8-147.4 135.6 113.9 50.4 27.6 73 73 A M E -DE 218 159A 2 86,-0.6 85,-2.0 83,-0.4 86,-0.5 -0.992 13.5-177.0-123.9 125.6 115.9 48.5 25.0 74 74 A K E -D 217 0A 94 143,-1.5 143,-2.7 -2,-0.5 83,-0.1 -0.985 21.6-124.3-129.0 135.5 119.7 48.3 25.2 75 75 A D - 0 0 75 -2,-0.4 2,-0.3 141,-0.2 141,-0.1 -0.112 24.8-170.8 -65.8 168.3 122.2 46.7 22.8 76 76 A I - 0 0 43 3,-0.4 2,-0.3 139,-0.3 139,-0.1 -0.934 34.0 -55.4-151.9 163.8 124.8 44.2 23.9 77 77 A K S S- 0 0 166 -2,-0.3 3,-0.1 1,-0.2 139,-0.0 -0.677 102.1 -13.9 -82.2 144.6 127.8 42.6 22.2 78 78 A D S S+ 0 0 142 -2,-0.3 -1,-0.2 1,-0.1 2,-0.0 -0.867 101.3 92.1-126.2 13.2 127.8 41.1 19.6 79 79 A Y S S- 0 0 78 1,-0.1 -3,-0.4 135,-0.0 135,-0.2 -0.294 79.7 -97.4 -72.5 155.6 124.2 40.3 18.6 80 80 A D B -p 214 0D 92 133,-2.4 135,-1.5 1,-0.1 2,-1.3 -0.530 46.1-104.8 -71.2 139.0 122.0 42.5 16.4 81 81 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.544 67.1-163.4 -69.9 97.5 119.8 44.6 18.6 82 82 A A - 0 0 1 -2,-1.3 134,-0.1 129,-0.1 129,-0.1 -0.945 16.5 -12.9-150.7 167.0 116.5 42.7 18.1 83 83 A D - 0 0 4 -2,-0.3 41,-1.8 132,-0.2 42,-0.5 -0.982 64.4-137.7-108.2 -14.7 113.7 42.0 18.0 84 84 A G E -KL 123 209B 0 125,-0.6 125,-0.9 39,-0.2 2,-0.3 -0.707 17.8 -77.7 130.1 179.0 111.5 44.4 20.0 85 85 A I E -KL 122 208B 1 37,-1.8 37,-3.2 -2,-0.2 2,-0.4 -0.911 28.7-162.3-122.7 147.0 108.6 44.8 22.4 86 86 A I E -KL 121 207B 0 121,-2.6 121,-1.9 -2,-0.3 2,-0.7 -0.992 12.6-149.5-134.5 130.3 104.9 44.5 21.9 87 87 A F E +KL 120 206B 3 33,-2.7 33,-2.8 -2,-0.4 2,-0.3 -0.867 39.5 178.6 -91.3 118.5 102.1 45.8 24.1 88 88 A F E -KL 119 205B 1 117,-2.3 117,-1.9 -2,-0.7 2,-0.4 -0.815 35.0-153.3-130.6 169.0 99.3 43.3 23.5 89 89 A I E +KL 118 204B 3 29,-2.5 29,-2.4 -2,-0.3 115,-0.2 -0.992 33.3 150.0-133.5 134.5 95.7 42.3 24.3 90 90 A A E - 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