==== 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 2DVA . 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) . 32868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 644 69.4 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 . 397 42.8 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 . 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 . 121 13.0 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 . 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 . 4 12 0 4 8 4 16 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 49 0, 0.0 2,-0.7 0, 0.0 241,-0.3 0.000 360.0 360.0 360.0 132.9 80.5 51.9 35.4 2 2 A E E -A 229 0A 10 227,-2.9 227,-2.5 239,-0.1 2,-0.4 -0.919 360.0-177.0-110.3 111.1 82.9 49.0 35.6 3 3 A T E -A 228 0A 29 -2,-0.7 2,-0.5 225,-0.2 225,-0.2 -0.886 20.6-171.1-118.6 140.7 86.4 50.1 36.0 4 4 A V E +A 227 0A 10 223,-2.4 223,-2.7 -2,-0.4 2,-0.3 -0.994 22.1 162.0-124.4 121.6 89.8 48.4 36.2 5 5 A S E +A 226 0A 47 -2,-0.5 2,-0.3 221,-0.3 221,-0.2 -0.984 4.5 156.8-147.8 134.8 92.8 50.5 37.2 6 6 A F E -A 225 0A 23 219,-2.1 219,-2.7 -2,-0.3 2,-0.3 -0.909 22.0-151.8-145.8 171.0 96.3 49.9 38.5 7 7 A N E -A 224 0A 74 -2,-0.3 2,-0.7 217,-0.3 217,-0.3 -0.775 3.7-167.6-156.0 103.9 99.7 51.5 38.6 8 8 A F E +A 223 0A 18 215,-3.9 215,-2.5 -2,-0.3 3,-0.1 -0.844 10.3 174.4 -94.3 110.8 103.0 49.6 38.7 9 9 A N S S- 0 0 77 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.694 78.9 -13.0 -85.4 -21.4 105.8 52.0 39.6 10 10 A S S S- 0 0 41 224,-0.2 -1,-0.3 -3,-0.1 2,-0.3 -0.924 76.0-118.8-163.2 175.2 108.1 49.0 39.7 11 11 A F - 0 0 12 19,-1.6 2,-0.3 -2,-0.3 224,-0.0 -0.815 15.0-166.4-128.0 168.3 107.7 45.2 39.8 12 12 A S > - 0 0 20 -2,-0.3 3,-1.8 3,-0.1 2,-0.2 -0.962 29.1-114.7-155.6 133.6 108.5 42.3 42.1 13 13 A E T 3 S+ 0 0 145 -2,-0.3 12,-0.0 1,-0.3 -2,-0.0 -0.488 106.0 40.8 -66.8 136.7 108.6 38.5 41.6 14 14 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 4,-0.2 272,-0.0 0.236 77.4 134.6 106.7 -12.8 105.9 37.1 43.8 15 15 A N X - 0 0 9 -3,-1.8 3,-1.9 1,-0.2 -1,-0.3 -0.618 48.0-152.8 -73.8 111.4 103.5 39.8 43.0 16 16 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.2 0, 0.0 269,-0.1 0.656 87.9 72.2 -59.1 -16.6 100.2 37.9 42.4 17 17 A A T 3 S+ 0 0 4 32,-0.1 32,-2.5 1,-0.1 2,-0.4 0.512 92.4 67.1 -79.5 -2.1 99.0 40.7 40.1 18 18 A I E < -H 48 0B 12 -3,-1.9 2,-0.6 30,-0.3 30,-0.2 -0.967 64.8-156.1-128.1 125.7 101.5 39.6 37.4 19 19 A N E -H 47 0B 53 28,-3.1 28,-2.5 -2,-0.4 2,-0.5 -0.846 15.8-154.3 -95.7 124.0 101.7 36.5 35.3 20 20 A F E -H 46 0B 76 -2,-0.6 2,-0.4 26,-0.2 26,-0.2 -0.859 12.1-174.7-101.5 130.9 105.2 35.7 34.0 21 21 A Q E -H 45 0B 21 24,-3.0 24,-2.9 -2,-0.5 3,-0.3 -0.987 48.6 -22.1-127.0 133.3 105.6 33.6 30.9 22 22 A G E S-H 44 0B 53 -2,-0.4 22,-0.3 22,-0.2 13,-0.1 -0.459 121.3 -5.2 79.3-144.0 108.8 32.4 29.4 23 23 A D S S+ 0 0 35 20,-2.7 21,-0.2 -2,-0.2 -1,-0.2 0.099 87.8 144.9 -79.8 24.3 112.2 33.9 30.0 24 24 A V + 0 0 25 -3,-0.3 2,-0.3 21,-0.2 10,-0.2 -0.377 22.1 177.1 -68.7 139.7 110.9 36.8 32.1 25 25 A T E -B 33 0A 62 8,-2.6 8,-3.1 -2,-0.1 2,-0.5 -0.950 25.7-131.6-139.6 156.6 113.0 38.0 35.0 26 26 A V E -B 32 0A 23 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.959 23.2-140.8-113.5 123.2 112.7 40.8 37.6 27 27 A L > - 0 0 50 4,-3.0 3,-2.4 -2,-0.5 -16,-0.1 -0.417 25.6-110.8 -79.6 157.1 115.8 42.9 38.2 28 28 A S T 3 S+ 0 0 141 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.663 118.3 61.8 -61.5 -15.7 116.8 44.1 41.7 29 29 A N T 3 S- 0 0 94 2,-0.1 -1,-0.3 -19,-0.0 3,-0.1 0.427 122.3-104.9 -90.1 0.5 115.9 47.6 40.6 30 30 A G S < S+ 0 0 9 -3,-2.4 -19,-1.6 1,-0.3 -2,-0.1 0.223 78.3 133.9 97.2 -15.4 112.3 46.6 40.0 31 31 A N - 0 0 13 -21,-0.1 -4,-3.0 -5,-0.1 2,-0.4 -0.322 53.9-129.7 -68.0 150.1 112.5 46.5 36.2 32 32 A I E -BC 26 220A 0 188,-2.7 188,-2.3 -6,-0.2 2,-0.6 -0.866 15.4-158.4-101.1 135.3 111.1 43.6 34.3 33 33 A Q E -BC 25 219A 31 -8,-3.1 -8,-2.6 -2,-0.4 186,-0.2 -0.975 3.4-167.2-115.1 116.6 113.5 42.0 31.8 34 34 A L + 0 0 0 184,-2.3 2,-0.3 -2,-0.6 174,-0.2 0.832 61.3 48.7 -76.3 -35.0 111.6 40.1 29.1 35 35 A T S S- 0 0 4 183,-0.4 2,-0.7 181,-0.1 183,-0.2 -0.806 72.4-124.9-116.1 155.3 114.3 38.1 27.4 36 36 A N > - 0 0 62 -2,-0.3 3,-1.6 1,-0.1 6,-0.2 -0.823 17.0-151.5 -92.2 113.2 117.2 35.8 28.4 37 37 A L T 3 S+ 0 0 44 -2,-0.7 -1,-0.1 1,-0.3 180,-0.0 0.667 93.7 50.2 -59.5 -17.7 120.4 37.2 26.8 38 38 A N T 3 S+ 0 0 141 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.464 92.7 90.3-102.1 -1.8 121.9 33.7 26.7 39 39 A K S X S- 0 0 94 -3,-1.6 3,-0.9 -16,-0.1 2,-0.2 -0.803 73.2-125.9-102.6 136.8 119.1 31.8 25.0 40 40 A V T 3 S+ 0 0 73 -2,-0.4 172,-0.2 1,-0.3 171,-0.1 -0.533 96.4 4.9 -73.1 139.4 118.5 31.2 21.3 41 41 A N T 3 S- 0 0 59 -2,-0.2 -1,-0.3 1,-0.1 170,-0.2 0.889 91.8-168.0 52.7 46.5 115.0 32.4 20.2 42 42 A S < - 0 0 3 -3,-0.9 168,-1.8 169,-0.3 2,-0.4 -0.348 10.9-175.3 -68.6 144.8 114.2 33.8 23.7 43 43 A V E + I 0 209B 10 166,-0.2 -20,-2.7 59,-0.1 2,-0.4 -0.981 7.0 170.7-143.4 127.7 110.7 34.8 24.5 44 44 A G E +HI 22 208B 0 164,-2.2 164,-2.1 -2,-0.4 2,-0.3 -0.996 4.6 178.1-137.1 140.6 109.4 36.5 27.6 45 45 A R E -HI 21 207B 2 -24,-2.9 -24,-3.0 -2,-0.4 2,-0.4 -0.989 12.5-159.3-143.4 150.7 106.0 37.9 28.4 46 46 A V E -HI 20 206B 3 160,-2.6 160,-2.4 -2,-0.3 2,-0.3 -0.993 12.6-172.3-131.3 137.0 104.3 39.6 31.3 47 47 A L E -HI 19 205B 2 -28,-2.5 -28,-3.1 -2,-0.4 2,-0.7 -0.970 34.8-110.3-132.3 146.9 100.6 39.9 31.8 48 48 A Y E -H 18 0B 8 156,-2.7 156,-0.3 -2,-0.3 -30,-0.3 -0.669 38.0-135.6 -71.7 117.0 98.3 41.6 34.3 49 49 A A S S+ 0 0 18 -32,-2.5 -1,-0.2 -2,-0.7 -31,-0.1 0.788 80.4 81.0 -45.8 -41.7 97.0 38.6 36.2 50 50 A M S S- 0 0 13 -33,-0.3 154,-0.3 1,-0.1 2,-0.2 -0.501 83.0-125.0 -74.1 130.7 93.4 39.7 36.2 51 51 A P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 152,-0.2 -0.545 24.8-139.2 -74.2 142.7 91.4 39.1 33.1 52 52 A V E -J 202 0B 1 150,-3.7 150,-2.6 -2,-0.2 2,-1.2 -0.901 3.1-140.1-108.8 129.8 89.7 42.3 31.8 53 53 A R E +J 201 0B 36 -2,-0.5 148,-0.2 148,-0.2 147,-0.1 -0.731 26.5 173.6 -86.0 95.1 86.2 42.4 30.5 54 54 A I + 0 0 3 146,-1.6 9,-3.5 -2,-1.2 2,-0.3 0.676 64.4 15.4 -79.7 -19.4 86.6 44.8 27.5 55 55 A W B -O 62 0C 39 145,-0.9 2,-0.5 7,-0.3 7,-0.2 -0.991 68.8-131.6-154.3 149.6 83.1 44.3 26.1 56 56 A S > - 0 0 3 5,-2.3 4,-2.7 -2,-0.3 5,-0.2 -0.899 2.3-161.3-107.4 127.8 79.7 42.9 27.3 57 57 A S T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.729 95.4 58.2 -74.4 -21.9 77.7 40.5 25.2 58 58 A A T 4 S+ 0 0 90 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.785 124.1 18.1 -78.6 -28.4 74.7 41.4 27.3 59 59 A T T 4 S- 0 0 64 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.589 92.0-130.4-115.9 -18.8 74.9 45.2 26.5 60 60 A G < + 0 0 27 -4,-2.7 -3,-0.1 1,-0.3 2,-0.1 0.443 59.9 145.4 80.0 -1.9 77.0 45.2 23.4 61 61 A N - 0 0 50 -5,-0.2 -5,-2.3 169,-0.1 2,-0.4 -0.357 36.8-154.0 -71.3 149.2 79.1 47.9 25.1 62 62 A V B -O 55 0C 26 -7,-0.2 168,-0.3 -3,-0.1 -7,-0.3 -0.976 16.0-122.2-126.4 137.3 82.8 48.2 24.7 63 63 A A - 0 0 4 -9,-3.5 2,-0.3 -2,-0.4 166,-0.2 -0.356 13.5-142.8 -78.1 156.9 85.2 49.7 27.2 64 64 A S E -D 228 0A 12 164,-2.0 164,-2.2 820,-0.2 2,-0.3 -0.773 21.9-164.1-108.9 157.3 87.6 52.6 26.6 65 65 A F E -DE 227 167A 2 102,-1.6 102,-2.7 -2,-0.3 2,-0.4 -0.999 20.2-160.6-149.6 150.8 91.0 52.6 28.2 66 66 A L E +DE 226 166A 22 160,-2.8 160,-2.4 -2,-0.3 2,-0.3 -0.995 26.5 162.3-124.9 131.1 93.9 54.9 29.1 67 67 A T E -DE 225 165A 2 98,-2.2 98,-3.5 -2,-0.4 2,-0.3 -0.993 14.5-175.8-152.2 144.0 97.3 53.3 29.7 68 68 A S E +DE 224 164A 43 156,-1.8 156,-2.8 -2,-0.3 2,-0.3 -0.996 9.0 166.2-141.9 147.1 100.9 54.5 29.8 69 69 A F E -DE 223 163A 5 94,-2.0 94,-2.7 -2,-0.3 2,-0.4 -0.969 23.0-137.0-153.2 164.3 104.1 52.7 30.4 70 70 A S E +DE 222 162A 12 152,-1.4 151,-3.0 -2,-0.3 152,-1.2 -0.985 24.0 171.7-130.4 141.3 107.9 53.1 30.0 71 71 A F E -DE 220 161A 1 90,-1.9 90,-2.9 -2,-0.4 2,-0.3 -0.868 17.1-147.9-139.1 173.6 110.4 50.7 28.6 72 72 A E E -DE 219 160A 27 147,-2.2 147,-3.0 -2,-0.3 2,-0.4 -0.988 2.9-166.0-149.0 135.3 114.1 50.5 27.6 73 73 A M E -D 218 0A 2 86,-0.6 85,-2.4 83,-0.4 86,-0.5 -0.983 15.5-172.4-120.6 133.6 115.9 48.5 25.0 74 74 A K E -D 217 0A 101 143,-1.7 143,-2.7 -2,-0.4 83,-0.1 -0.991 20.0-123.3-134.2 135.1 119.7 48.3 25.2 75 75 A D - 0 0 76 -2,-0.4 2,-0.3 141,-0.2 141,-0.1 -0.204 25.7-169.7 -66.1 160.4 122.4 46.9 22.9 76 76 A I - 0 0 37 3,-0.4 2,-0.3 139,-0.3 139,-0.1 -0.943 32.6 -64.8-145.4 160.3 124.8 44.2 24.0 77 77 A K S S- 0 0 178 -2,-0.3 3,-0.1 1,-0.2 139,-0.0 -0.718 102.5 -9.7 -85.1 143.5 128.0 42.8 22.4 78 78 A D S S+ 0 0 153 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.0 -0.886 101.4 96.1-121.3 12.1 128.1 41.2 19.9 79 79 A Y S S- 0 0 83 1,-0.1 -3,-0.4 135,-0.0 135,-0.2 -0.220 76.8-102.3 -68.1 153.8 124.5 40.5 18.9 80 80 A D B -p 214 0D 86 133,-2.3 135,-1.4 1,-0.1 2,-1.0 -0.628 46.4-105.4 -75.6 127.9 122.3 42.4 16.5 81 81 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.421 63.8-164.9 -60.5 96.6 119.9 44.6 18.6 82 82 A A - 0 0 2 -2,-1.0 129,-0.1 129,-0.1 2,-0.1 -0.950 17.7 -13.5-150.1 164.7 116.6 42.7 18.1 83 83 A D - 0 0 3 -2,-0.3 41,-2.1 132,-0.2 42,-0.5 -0.966 63.0-135.8-109.7 -19.5 113.8 42.1 18.1 84 84 A G E -KL 123 209B 0 125,-0.6 125,-0.8 39,-0.2 2,-0.4 -0.766 19.6 -77.7 134.9-179.9 111.6 44.5 20.0 85 85 A I E -KL 122 208B 0 37,-1.5 37,-2.5 -2,-0.2 2,-0.4 -0.932 29.6-162.0-123.2 142.8 108.7 44.9 22.5 86 86 A I E -KL 121 207B 0 121,-2.8 121,-2.1 -2,-0.4 2,-0.7 -0.988 12.2-151.1-130.8 129.9 105.0 44.6 22.0 87 87 A F E +KL 120 206B 2 33,-2.6 33,-2.7 -2,-0.4 2,-0.3 -0.870 38.6 178.9 -90.9 117.1 102.2 45.8 24.2 88 88 A F E -KL 119 205B 1 117,-2.0 117,-1.9 -2,-0.7 2,-0.4 -0.823 33.5-153.0-129.2 166.9 99.4 43.4 23.5 89 89 A I E +KL 118 204B 4 29,-2.4 29,-2.2 -2,-0.3 115,-0.2 -0.997 33.4 150.5-131.9 132.7 95.8 42.3 24.3 90 90 A A E - 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