==== 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 2DVB . 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) . 32630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 648 69.8 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 . 400 43.1 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 . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 119 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 2.2 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 . 5 12 0 4 8 4 17 4 3 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 48 0, 0.0 2,-0.7 0, 0.0 241,-0.3 0.000 360.0 360.0 360.0 109.0 79.7 51.9 35.4 2 2 A E E -A 229 0A 11 227,-3.4 227,-2.9 239,-0.1 2,-0.4 -0.860 360.0-179.4-101.7 112.4 82.2 49.0 35.5 3 3 A T E -A 228 0A 27 -2,-0.7 2,-0.5 225,-0.2 225,-0.2 -0.909 20.3-170.7-120.6 140.7 85.8 50.2 35.9 4 4 A V E +A 227 0A 13 223,-2.5 223,-2.4 -2,-0.4 2,-0.4 -0.987 20.4 164.1-125.2 117.9 89.2 48.5 36.1 5 5 A S E +A 226 0A 43 -2,-0.5 2,-0.3 221,-0.2 221,-0.2 -0.996 2.5 156.2-141.3 135.8 92.2 50.7 37.2 6 6 A F E -A 225 0A 25 219,-1.9 219,-2.6 -2,-0.4 2,-0.3 -0.954 21.7-152.1-149.3 164.6 95.7 49.9 38.4 7 7 A N E -A 224 0A 73 -2,-0.3 2,-0.6 217,-0.2 217,-0.3 -0.875 4.3-169.1-151.3 111.9 99.1 51.5 38.5 8 8 A F E +A 223 0A 17 215,-3.5 215,-2.3 -2,-0.3 3,-0.1 -0.901 12.9 171.1-103.5 116.5 102.5 49.8 38.5 9 9 A N S S- 0 0 82 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.571 79.9 -12.8 -95.5 -14.9 105.4 52.0 39.3 10 10 A S S S- 0 0 40 224,-0.2 -1,-0.3 213,-0.1 2,-0.3 -0.934 75.0-120.5-168.2 178.2 107.6 48.9 39.6 11 11 A F - 0 0 15 19,-0.9 2,-0.3 -2,-0.3 3,-0.0 -0.842 10.9-163.0-134.9 170.1 107.2 45.1 39.8 12 12 A S > - 0 0 21 -2,-0.3 3,-1.7 3,-0.1 6,-0.1 -0.984 30.3-124.1-152.3 142.3 107.9 42.0 41.9 13 13 A E T 3 S+ 0 0 169 -2,-0.3 7,-0.1 1,-0.3 5,-0.1 0.765 110.8 53.5 -58.7 -27.2 107.9 38.3 41.1 14 14 A G T 3 S+ 0 0 21 3,-0.0 -1,-0.3 -3,-0.0 3,-0.0 0.471 74.4 119.2 -89.6 -0.7 105.4 37.6 43.9 15 15 A N X - 0 0 7 -3,-1.7 3,-1.9 1,-0.2 -3,-0.1 -0.539 51.5-158.0 -70.6 108.1 102.8 40.2 42.8 16 16 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 269,-0.1 0.686 85.6 73.5 -59.3 -20.6 99.7 38.1 42.1 17 17 A A T 3 S+ 0 0 9 32,-0.1 32,-3.0 266,-0.1 2,-0.4 0.513 91.4 72.2 -73.4 -1.4 98.3 40.8 39.9 18 18 A I E < -H 48 0B 13 -3,-1.9 2,-0.6 30,-0.3 30,-0.2 -0.961 64.1-158.9-124.0 128.8 100.9 39.7 37.3 19 19 A N E -H 47 0B 49 28,-2.8 28,-1.9 -2,-0.4 2,-0.5 -0.893 15.3-155.9-101.1 120.4 101.0 36.6 35.1 20 20 A F E -H 46 0B 69 -2,-0.6 2,-0.4 26,-0.2 26,-0.2 -0.841 12.0-175.7-100.7 132.8 104.5 35.8 33.8 21 21 A Q E > -H 45 0B 17 24,-3.0 24,-2.8 -2,-0.5 3,-0.7 -0.980 47.9 -18.7-127.5 139.1 104.9 33.7 30.6 22 22 A G E 3 S-H 44 0B 54 -2,-0.4 22,-0.3 22,-0.2 13,-0.1 -0.392 121.1 -10.1 74.3-145.5 108.0 32.5 29.0 23 23 A D T 3 S+ 0 0 28 20,-3.5 21,-0.2 11,-0.2 -1,-0.2 0.224 89.0 142.5 -79.2 14.8 111.5 33.9 29.7 24 24 A V < + 0 0 22 -3,-0.7 2,-0.3 19,-0.2 10,-0.2 -0.227 24.0 177.1 -58.1 143.0 110.2 36.9 31.7 25 25 A T E -B 33 0A 65 8,-2.6 8,-3.4 10,-0.1 2,-0.5 -0.954 26.6-127.2-144.2 160.3 112.2 38.0 34.7 26 26 A V E -B 32 0A 37 -2,-0.3 6,-0.2 6,-0.2 -13,-0.1 -0.958 23.5-140.8-115.0 122.8 112.1 40.8 37.3 27 27 A L > - 0 0 47 4,-3.5 3,-2.6 -2,-0.5 -16,-0.2 -0.401 26.8-109.3 -78.5 156.7 115.2 42.9 37.8 28 28 A S T 3 S+ 0 0 140 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.690 119.0 60.8 -58.9 -18.3 116.3 44.1 41.3 29 29 A N T 3 S- 0 0 94 2,-0.1 -1,-0.3 -19,-0.0 3,-0.1 0.382 123.4-103.2 -90.4 4.6 115.2 47.6 40.2 30 30 A G S < S+ 0 0 7 -3,-2.6 -19,-0.9 1,-0.3 -2,-0.1 0.274 78.6 136.1 93.6 -11.9 111.6 46.5 39.7 31 31 A N - 0 0 13 -21,-0.1 -4,-3.5 -5,-0.1 2,-0.4 -0.395 52.9-131.1 -70.4 146.0 111.9 46.4 35.9 32 32 A I E -BC 26 220A 0 188,-2.4 188,-2.0 -6,-0.2 2,-0.6 -0.828 15.2-157.3 -95.4 135.5 110.5 43.5 34.0 33 33 A Q E -BC 25 219A 32 -8,-3.4 -8,-2.6 -2,-0.4 186,-0.2 -0.972 5.0-168.1-115.7 115.1 112.9 42.0 31.5 34 34 A L + 0 0 0 184,-2.0 2,-0.3 -2,-0.6 -11,-0.2 0.816 61.2 50.0 -75.7 -34.2 110.9 40.1 28.8 35 35 A T S S- 0 0 4 183,-0.4 2,-0.6 181,-0.1 183,-0.2 -0.837 72.9-126.8-116.0 150.8 113.6 38.1 27.0 36 36 A N > - 0 0 60 -2,-0.3 3,-1.0 1,-0.1 6,-0.2 -0.799 17.1-151.0 -88.7 119.3 116.4 35.8 28.1 37 37 A L T 3 S+ 0 0 43 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.713 93.9 48.0 -63.8 -22.3 119.7 37.1 26.5 38 38 A N T 3 S+ 0 0 140 2,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.477 93.3 90.9-100.1 -2.8 121.1 33.6 26.3 39 39 A K S X S- 0 0 91 -3,-1.0 3,-0.8 -16,-0.0 2,-0.2 -0.734 74.1-123.2 -97.7 144.0 118.2 31.7 24.8 40 40 A V T 3 S+ 0 0 76 -2,-0.3 172,-0.2 1,-0.3 171,-0.1 -0.582 96.5 2.1 -78.3 140.7 117.6 31.1 21.1 41 41 A N T 3 S- 0 0 57 -2,-0.2 -1,-0.3 1,-0.1 170,-0.2 0.866 94.2-166.5 47.8 42.7 114.2 32.4 19.9 42 42 A S < - 0 0 2 -3,-0.8 168,-1.7 169,-0.3 61,-0.4 -0.208 10.3-170.8 -60.1 148.1 113.5 33.7 23.4 43 43 A V E + I 0 209B 10 166,-0.2 -20,-3.5 59,-0.1 2,-0.4 -0.971 9.6 170.6-146.5 128.1 110.0 34.8 24.4 44 44 A G E +HI 22 208B 0 164,-2.0 164,-1.9 -2,-0.3 2,-0.3 -0.999 3.9 177.2-137.9 139.4 108.7 36.5 27.5 45 45 A R E -HI 21 207B 3 -24,-2.8 -24,-3.0 -2,-0.4 2,-0.4 -0.993 11.8-161.0-142.9 149.2 105.3 38.0 28.2 46 46 A V E -HI 20 206B 4 160,-2.4 160,-2.3 -2,-0.3 2,-0.3 -0.981 13.7-173.9-129.0 140.9 103.7 39.7 31.2 47 47 A L E -HI 19 205B 2 -28,-1.9 -28,-2.8 -2,-0.4 2,-0.7 -0.982 37.0-107.8-138.1 149.2 99.9 40.1 31.8 48 48 A Y E -H 18 0B 10 156,-2.3 -30,-0.3 -2,-0.3 156,-0.2 -0.673 40.0-136.3 -71.1 116.0 97.6 41.9 34.2 49 49 A A S S+ 0 0 18 -32,-3.0 -1,-0.2 -2,-0.7 -31,-0.2 0.705 79.8 83.0 -50.5 -26.6 96.5 38.7 36.0 50 50 A M S S- 0 0 8 -33,-0.4 154,-0.3 154,-0.0 -2,-0.1 -0.672 81.4-126.7 -89.0 127.8 92.8 39.8 36.0 51 51 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 152,-0.2 -0.470 27.2-142.6 -68.4 143.6 90.7 39.2 32.9 52 52 A V E -J 202 0B 0 150,-4.4 150,-3.1 -2,-0.1 2,-0.9 -0.907 6.3-135.3-112.6 139.4 89.0 42.4 31.8 53 53 A R E +J 201 0B 31 -2,-0.4 148,-0.2 148,-0.2 147,-0.1 -0.815 27.9 172.2 -92.0 103.2 85.5 42.7 30.4 54 54 A I + 0 0 3 146,-2.1 9,-3.9 -2,-0.9 2,-0.3 0.651 63.6 16.5 -87.9 -18.9 85.9 45.0 27.4 55 55 A W B S-O 62 0C 37 145,-0.7 2,-0.4 7,-0.3 7,-0.2 -0.991 71.3-121.7-155.5 148.2 82.4 44.6 26.0 56 56 A S > - 0 0 4 5,-2.5 4,-2.0 -2,-0.3 191,-0.0 -0.773 4.6-163.1 -95.9 131.1 78.9 43.4 27.0 57 57 A S T 4 S+ 0 0 82 -2,-0.4 -1,-0.1 1,-0.2 143,-0.0 0.576 97.2 53.4 -81.5 -10.1 77.1 40.6 25.2 58 58 A A T 4 S+ 0 0 88 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.767 126.2 16.7 -93.5 -31.4 74.0 41.9 27.0 59 59 A T T 4 S- 0 0 72 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.584 90.6-127.7-116.2 -18.8 74.2 45.5 26.0 60 60 A G < + 0 0 22 -4,-2.0 -3,-0.1 1,-0.3 135,-0.1 0.358 59.4 148.8 83.8 -7.4 76.6 45.5 23.1 61 61 A N - 0 0 61 169,-0.1 -5,-2.5 -6,-0.1 2,-0.4 -0.253 35.3-152.3 -62.7 145.6 78.5 48.2 24.9 62 62 A V B -O 55 0C 24 -7,-0.2 168,-0.3 -3,-0.1 -7,-0.3 -0.948 16.6-120.3-120.8 139.9 82.3 48.4 24.5 63 63 A A - 0 0 5 -9,-3.9 2,-0.3 -2,-0.4 166,-0.2 -0.373 15.5-142.3 -77.5 157.8 84.6 49.8 27.1 64 64 A S E -D 228 0A 11 164,-2.1 164,-2.6 820,-0.2 2,-0.3 -0.822 23.0-167.6-111.4 154.3 86.9 52.8 26.6 65 65 A F E -DE 227 167A 2 102,-1.8 102,-2.5 -2,-0.3 2,-0.4 -1.000 22.0-158.7-150.2 151.7 90.4 52.8 28.2 66 66 A L E +DE 226 166A 20 160,-2.6 160,-1.7 -2,-0.3 2,-0.4 -0.999 24.7 169.9-125.6 126.9 93.3 55.0 28.9 67 67 A T E -DE 225 165A 1 98,-2.1 98,-2.9 -2,-0.4 2,-0.4 -0.998 12.3-172.9-144.4 138.0 96.7 53.4 29.5 68 68 A S E +DE 224 164A 35 156,-1.7 156,-2.8 -2,-0.4 2,-0.3 -0.966 11.5 162.1-129.5 147.2 100.3 54.6 29.9 69 69 A F E -DE 223 163A 8 94,-2.2 94,-2.7 -2,-0.4 2,-0.4 -0.983 24.5-143.5-157.1 162.6 103.5 52.8 30.1 70 70 A S E +DE 222 162A 12 152,-1.2 151,-3.3 -2,-0.3 152,-1.4 -1.000 23.0 172.0-134.0 130.8 107.3 53.2 29.7 71 71 A F E -DE 220 161A 1 90,-1.8 90,-3.0 -2,-0.4 2,-0.3 -0.731 16.1-149.7-127.7 178.6 109.7 50.7 28.3 72 72 A E E -DE 219 160A 24 147,-2.4 147,-3.0 -2,-0.2 2,-0.4 -0.950 3.6-166.1-155.2 130.5 113.4 50.5 27.3 73 73 A M E -DE 218 159A 2 86,-0.6 85,-1.9 83,-0.4 86,-0.6 -0.974 13.8-174.9-118.0 133.5 115.2 48.5 24.7 74 74 A K E -D 217 0A 87 143,-2.0 143,-2.8 -2,-0.4 83,-0.1 -0.989 22.9-120.8-135.3 132.0 119.0 48.3 24.9 75 75 A D - 0 0 80 -2,-0.4 2,-0.3 141,-0.2 141,-0.1 -0.207 26.0-160.1 -62.6 154.3 121.6 46.8 22.5 76 76 A I - 0 0 33 139,-0.4 2,-0.5 3,-0.3 3,-0.2 -0.908 36.9 -62.3-131.7 159.1 123.9 44.1 23.8 77 77 A K S S- 0 0 179 -2,-0.3 3,-0.1 1,-0.3 139,-0.0 -0.769 103.7 -25.3 -83.2 125.3 127.2 42.8 22.4 78 78 A D S S+ 0 0 115 -2,-0.5 -1,-0.3 1,-0.2 2,-0.1 -0.727 95.3 102.6-145.2 39.4 126.9 41.7 19.7 79 79 A Y S S- 0 0 78 -3,-0.2 -3,-0.3 1,-0.1 135,-0.2 -0.355 80.8 -85.0 -78.6 164.3 123.6 40.3 18.5 80 80 A D B -p 214 0D 91 133,-2.9 135,-2.1 1,-0.1 2,-1.7 -0.543 49.7-107.8 -69.6 137.1 121.4 42.2 16.2 81 81 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.520 66.0-165.9 -71.4 90.7 119.2 44.6 18.3 82 82 A A - 0 0 1 -2,-1.7 129,-0.1 133,-0.3 2,-0.1 -0.913 15.1 -12.9-141.9 167.5 115.9 42.7 17.8 83 83 A D - 0 0 5 -2,-0.3 41,-2.0 132,-0.2 42,-0.6 -0.960 62.4-139.4-110.2 -20.5 113.1 42.1 17.8 84 84 A G E -KL 123 209B 0 125,-0.6 125,-0.9 39,-0.2 2,-0.3 -0.829 17.9 -76.5 135.8-174.1 111.0 44.5 19.8 85 85 A I E -KL 122 208B 1 37,-1.6 37,-3.0 -2,-0.3 2,-0.4 -0.944 27.8-162.1-129.9 147.3 108.0 44.9 22.2 86 86 A I E -KL 121 207B 0 121,-2.6 121,-1.7 -2,-0.3 2,-0.7 -0.983 13.6-148.8-137.3 128.1 104.3 44.7 21.7 87 87 A F E -KL 120 206B 2 33,-2.9 33,-2.9 -2,-0.4 2,-0.3 -0.837 39.8-179.4 -87.7 118.6 101.5 46.0 24.0 88 88 A F E -KL 119 205B 1 117,-2.1 117,-1.8 -2,-0.7 2,-0.4 -0.828 34.1-153.3-128.1 167.4 98.7 43.5 23.3 89 89 A I E +KL 118 204B 4 29,-2.5 29,-2.1 -2,-0.3 115,-0.2 -0.998 33.6 152.9-131.7 129.9 95.1 42.5 24.1 90 90 A A E - 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