==== 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 19-JUL-06 2DTY . COMPND 2 MOLECULE: BASIC AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: PSOPHOCARPUS TETRAGONOLOBUS; . AUTHOR K.A.KULKARNI,S.KATIYAR,A.SUROLIA,M.VIJAYAN,K.SUGUNA . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 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 . 394 41.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 95 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 2.5 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+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 . 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 . 8 16 0 5 8 11 8 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 0 4 4 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 K 0 0 104 0, 0.0 234,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.1 93.5 -4.4 19.8 2 2 A T E +A 234 0A 100 232,-0.2 2,-0.3 234,-0.0 232,-0.2 -0.972 360.0 179.4-132.7 117.3 97.0 -4.9 21.3 3 3 A I E +A 233 0A 56 230,-1.9 230,-2.6 -2,-0.4 2,-0.3 -0.860 8.7 160.4-115.4 151.4 99.7 -6.6 19.4 4 4 A S E -A 232 0A 77 -2,-0.3 2,-0.3 228,-0.2 228,-0.2 -0.918 14.2-176.5-170.6 143.4 103.2 -7.3 20.7 5 5 A F E -A 231 0A 20 226,-1.9 226,-2.2 -2,-0.3 2,-0.3 -0.924 8.9-155.1-138.5 163.4 106.3 -9.4 20.1 6 6 A N E -A 230 0A 96 -2,-0.3 2,-0.4 224,-0.2 224,-0.2 -0.999 6.4-170.3-143.3 143.9 109.7 -9.8 21.7 7 7 A F E +A 229 0A 15 222,-1.1 222,-2.0 -2,-0.3 3,-0.1 -0.915 9.0 176.2-135.5 106.1 113.1 -11.0 20.5 8 8 A N S S- 0 0 110 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.694 82.9 -18.1 -78.5 -20.0 115.8 -11.6 23.1 9 9 A Q S S- 0 0 92 220,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.910 76.2-106.7-167.1 178.8 118.0 -12.9 20.3 10 10 A F - 0 0 1 19,-1.5 2,-0.3 -2,-0.3 19,-0.1 -0.953 22.6-158.4-126.5 144.2 117.5 -14.2 16.7 11 11 A H > - 0 0 106 -2,-0.4 3,-0.5 17,-0.1 16,-0.1 -0.840 37.0 -86.5-118.2 157.4 117.7 -17.7 15.3 12 12 A Q T 3 S+ 0 0 99 -2,-0.3 14,-0.1 1,-0.2 -1,-0.0 -0.368 114.7 13.7 -59.7 136.9 118.3 -18.9 11.7 13 13 A N T 3 S- 0 0 158 1,-0.2 2,-0.7 12,-0.1 -1,-0.2 0.971 78.9-171.7 58.9 57.9 114.9 -19.1 10.0 14 14 A E X - 0 0 43 -3,-0.5 3,-1.6 1,-0.2 -1,-0.2 -0.735 15.3-149.5 -78.9 117.7 112.9 -17.1 12.5 15 15 A E T 3 S+ 0 0 159 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.0 0.662 90.9 61.1 -67.3 -13.2 109.4 -17.6 11.1 16 16 A Q T 3 S+ 0 0 40 36,-0.1 36,-3.4 35,-0.1 37,-0.3 0.460 96.7 73.4 -92.4 0.8 108.3 -14.2 12.4 17 17 A L E < -H 51 0B 14 -3,-1.6 2,-0.5 34,-0.3 34,-0.2 -0.813 61.8-151.9-117.3 155.9 110.8 -12.2 10.3 18 18 A K E -H 50 0B 115 32,-2.2 32,-2.1 -2,-0.3 2,-0.3 -0.948 18.6-163.2-124.4 104.2 111.1 -11.4 6.6 19 19 A L E -H 49 0B 68 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.715 8.1-169.5 -89.9 139.5 114.7 -11.0 5.6 20 20 A Q E > -H 48 0B 40 28,-2.3 28,-1.7 -2,-0.3 3,-1.7 -0.985 46.8 -24.5-133.4 144.1 115.4 -9.2 2.3 21 21 A R E 3 S-H 47 0B 145 -2,-0.4 26,-0.2 1,-0.3 13,-0.0 -0.326 129.0 -5.2 59.7-134.6 118.5 -8.7 0.3 22 22 A D T 3 S+ 0 0 36 24,-2.6 -1,-0.3 13,-0.0 25,-0.2 0.558 100.4 121.4 -69.6 -8.7 121.7 -9.0 2.3 23 23 A A < + 0 0 4 -3,-1.7 2,-0.3 23,-0.3 10,-0.2 -0.305 34.5 152.3 -60.6 135.7 119.9 -9.3 5.6 24 24 A R E -B 32 0A 107 8,-2.0 8,-2.4 10,-0.1 2,-0.6 -0.990 43.3-114.4-161.6 157.1 120.7 -12.4 7.5 25 25 A I E -B 31 0A 16 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.864 32.1-135.3-102.3 122.2 121.0 -13.9 11.0 26 26 A S > - 0 0 17 4,-2.6 3,-1.4 -2,-0.6 -16,-0.1 -0.211 24.2-108.5 -70.0 162.7 124.4 -15.0 12.3 27 27 A S T 3 S+ 0 0 109 1,-0.3 -15,-0.1 2,-0.1 -1,-0.1 0.806 117.6 56.4 -62.9 -30.4 125.0 -18.3 14.1 28 28 A N T 3 S- 0 0 130 2,-0.1 -1,-0.3 -17,-0.1 -2,-0.1 0.033 124.7 -96.4 -94.6 30.7 125.6 -16.5 17.4 29 29 A S S < S+ 0 0 14 -3,-1.4 -19,-1.5 1,-0.2 2,-0.3 0.531 77.3 129.4 76.9 11.3 122.2 -14.8 17.3 30 30 A V - 0 0 26 -21,-0.1 -4,-2.6 198,-0.0 2,-0.9 -0.772 55.1-128.1-102.8 147.8 122.6 -11.3 15.8 31 31 A L E -BC 25 226A 0 195,-2.2 195,-2.7 -2,-0.3 2,-0.9 -0.802 23.0-163.9 -91.5 103.8 120.6 -9.8 13.0 32 32 A E E -BC 24 225A 37 -8,-2.4 -8,-2.0 -2,-0.9 193,-0.2 -0.801 8.5-175.0 -93.6 105.8 123.1 -8.5 10.4 33 33 A L + 0 0 0 191,-2.3 2,-0.3 -2,-0.9 -1,-0.2 0.901 69.5 43.2 -66.3 -42.7 121.3 -6.1 8.1 34 34 A T S S- 0 0 2 190,-0.3 190,-0.3 175,-0.1 -10,-0.1 -0.782 99.6 -85.1-111.5 154.4 124.3 -5.6 5.9 35 35 A K + 0 0 83 -2,-0.3 7,-2.1 188,-0.1 2,-0.4 -0.194 41.8 175.0 -55.9 132.8 126.9 -8.0 4.4 36 36 A V E -N 41 0C 30 5,-0.3 2,-0.5 -4,-0.1 3,-0.2 -0.950 8.7-167.2-143.0 116.6 129.9 -8.9 6.5 37 37 A V E > S-N 40 0C 61 3,-2.8 3,-0.9 -2,-0.4 -2,-0.0 -0.934 71.0 -12.4-114.5 123.3 132.4 -11.5 5.3 38 38 A N T 3 S- 0 0 164 -2,-0.5 -1,-0.2 1,-0.3 0, 0.0 0.906 131.4 -50.9 59.4 42.5 135.1 -13.0 7.5 39 39 A G T 3 S+ 0 0 51 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.0 0.638 118.8 112.4 71.8 13.8 134.4 -10.4 10.1 40 40 A V E < -N 37 0C 62 -3,-0.9 -3,-2.8 182,-0.0 2,-0.2 -0.975 65.9-128.3-124.9 127.0 134.7 -7.6 7.6 41 41 A P E -N 36 0C 5 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.494 25.6-144.6 -72.0 135.6 131.9 -5.3 6.5 42 42 A T - 0 0 37 -7,-2.1 180,-0.4 -2,-0.2 3,-0.3 -0.597 6.5-126.8 -98.9 160.3 131.5 -5.0 2.7 43 43 A W S S+ 0 0 49 -2,-0.2 169,-0.2 1,-0.2 178,-0.1 -0.318 87.9 46.3 -91.4-178.8 130.4 -2.0 0.7 44 44 A N S S+ 0 0 97 167,-3.6 2,-0.4 176,-0.3 -1,-0.2 0.854 85.4 139.4 51.2 38.9 127.6 -2.1 -1.9 45 45 A S + 0 0 0 -3,-0.3 165,-2.7 166,-0.2 2,-0.3 -0.927 26.7 171.9-119.2 142.3 125.4 -3.9 0.7 46 46 A T E + I 0 209B 9 -2,-0.4 -24,-2.6 163,-0.2 2,-0.3 -0.983 7.1 163.5-147.3 131.5 121.7 -3.4 1.5 47 47 A G E -HI 21 208B 0 161,-1.7 161,-2.3 -2,-0.3 2,-0.3 -0.996 12.5-168.5-150.6 153.7 119.4 -5.4 3.7 48 48 A R E -HI 20 207B 0 -28,-1.7 -28,-2.3 -2,-0.3 2,-0.4 -0.942 7.3-160.3-139.0 160.4 116.1 -5.2 5.5 49 49 A A E -HI 19 206B 0 157,-2.4 157,-2.3 -2,-0.3 2,-0.3 -0.968 14.1-175.4-144.1 121.3 114.1 -7.2 8.1 50 50 A L E -HI 18 205B 7 -32,-2.1 -32,-2.2 -2,-0.4 2,-0.4 -0.893 35.7-106.0-118.9 150.9 110.4 -6.8 8.6 51 51 A Y E -H 17 0B 14 153,-2.4 -34,-0.3 -2,-0.3 153,-0.3 -0.634 36.6-128.3 -72.8 127.1 108.1 -8.4 11.1 52 52 A A S S+ 0 0 26 -36,-3.4 -1,-0.1 -2,-0.4 -35,-0.1 0.782 87.4 60.9 -46.4 -41.4 106.2 -11.1 9.2 53 53 A K S S- 0 0 94 -37,-0.3 2,-0.1 1,-0.0 -2,-0.1 -0.710 86.3-118.9 -96.1 144.6 102.7 -10.0 10.1 54 54 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.447 24.5-146.3 -76.9 152.9 101.2 -6.6 9.3 55 55 A V E -O 202 0D 4 147,-2.8 147,-3.1 -2,-0.1 2,-0.8 -0.929 12.7-124.6-120.4 147.4 100.2 -4.3 12.2 56 56 A Q E +O 201 0D 83 -2,-0.4 145,-0.3 145,-0.2 144,-0.1 -0.813 25.5 177.3 -94.9 108.5 97.2 -1.9 12.2 57 57 A V + 0 0 3 143,-1.6 9,-4.0 -2,-0.8 2,-0.3 0.704 69.8 6.6 -81.8 -21.7 98.3 1.6 13.1 58 58 A W B -P 65 0E 13 142,-1.2 2,-0.5 7,-0.3 7,-0.2 -0.992 61.9-134.5-158.6 156.7 94.8 3.1 12.6 59 59 A D > - 0 0 24 5,-2.2 4,-2.5 -2,-0.3 5,-0.3 -0.958 3.7-159.5-118.3 118.6 91.2 2.2 11.9 60 60 A S T 4 S+ 0 0 13 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.759 90.4 62.9 -66.3 -25.2 89.2 4.1 9.3 61 61 A T T 4 S+ 0 0 84 1,-0.2 786,-0.4 785,-0.1 -1,-0.2 0.943 122.3 17.7 -65.3 -48.9 85.9 3.0 10.9 62 62 A T T 4 S- 0 0 66 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.588 96.8-131.3 -98.6 -15.0 86.5 4.7 14.2 63 63 A G < + 0 0 20 -4,-2.5 -3,-0.2 1,-0.3 2,-0.1 0.444 57.0 146.2 78.2 -1.3 89.2 7.1 13.0 64 64 A N - 0 0 64 -5,-0.3 -5,-2.2 -6,-0.0 2,-0.3 -0.376 37.7-147.3 -71.3 144.9 91.4 6.1 16.0 65 65 A V B -P 58 0E 24 -7,-0.2 -7,-0.3 -3,-0.1 2,-0.1 -0.875 17.8-115.1-113.9 147.6 95.1 5.9 15.7 66 66 A A - 0 0 1 -9,-4.0 2,-0.4 -2,-0.3 169,-0.2 -0.441 14.9-144.7 -81.8 153.0 97.4 3.5 17.6 67 67 A S E -D 234 0A 38 167,-2.1 167,-2.7 -2,-0.1 2,-0.3 -0.875 27.5-178.5-109.8 145.0 100.0 4.3 20.1 68 68 A F E -DE 233 166A 10 98,-1.7 98,-3.4 -2,-0.4 2,-0.4 -0.982 23.0-159.2-148.3 161.1 103.1 2.2 20.1 69 69 A E E +DE 232 165A 61 163,-2.4 163,-2.0 -2,-0.3 2,-0.4 -0.998 13.3 179.5-138.4 134.8 106.4 1.7 21.9 70 70 A T E -DE 231 164A 1 94,-3.1 94,-3.4 -2,-0.4 2,-0.4 -1.000 3.5-174.2-140.7 138.8 109.5 -0.1 20.4 71 71 A R E +DE 230 163A 73 159,-1.9 159,-2.7 -2,-0.4 2,-0.3 -0.987 12.5 158.9-132.7 141.0 112.9 -0.8 21.9 72 72 A F E -DE 229 162A 4 90,-1.9 90,-2.9 -2,-0.4 2,-0.4 -0.983 29.5-133.9-156.6 163.0 116.0 -2.3 20.3 73 73 A S E +DE 228 161A 19 155,-1.7 154,-2.8 -2,-0.3 155,-1.0 -0.979 27.0 173.6-123.2 134.8 119.7 -2.6 20.6 74 74 A F E -DE 226 160A 1 86,-1.6 86,-2.3 -2,-0.4 2,-0.3 -0.870 17.1-151.7-135.0 169.0 122.1 -2.2 17.7 75 75 A S E -D 225 0A 16 150,-1.9 150,-2.4 -2,-0.3 2,-0.5 -0.985 3.0-167.0-146.0 133.2 125.8 -2.0 17.2 76 76 A I - 0 0 1 82,-0.4 81,-2.7 -2,-0.3 2,-0.5 -0.975 7.2-167.4-122.5 113.2 127.7 -0.3 14.4 77 77 A R - 0 0 90 -2,-0.5 146,-1.8 79,-0.2 79,-0.1 -0.902 3.2-164.0-103.3 127.5 131.4 -1.2 14.1 78 78 A Q + 0 0 34 -2,-0.5 144,-0.1 144,-0.2 78,-0.1 -0.769 15.4 169.7-114.5 86.6 133.4 1.1 11.9 79 79 A P S S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 143,-0.1 0.762 70.6 53.7 -63.9 -31.2 136.7 -0.7 11.0 80 80 A F + 0 0 64 141,-0.4 141,-0.3 139,-0.2 4,-0.2 -0.796 58.4 177.8-116.5 92.9 137.8 1.9 8.3 81 81 A P + 0 0 88 0, 0.0 -1,-0.1 0, 0.0 138,-0.0 0.791 52.8 97.7 -58.6 -34.6 137.8 5.5 9.6 82 82 A R S S+ 0 0 176 2,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.908 90.6 0.2-112.4 139.1 139.1 6.9 6.3 83 83 A P S S- 0 0 39 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 -0.902 122.5 -59.7 -77.4 -36.5 137.7 8.2 4.1 84 84 A H - 0 0 68 -4,-0.2 -2,-0.1 -2,-0.1 42,-0.1 -0.780 40.9-118.8-177.0 128.4 134.3 7.9 5.7 85 85 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.194 45.3-108.9 -65.7 161.4 131.9 5.1 7.0 86 86 A A - 0 0 1 133,-0.2 125,-0.8 40,-0.1 136,-0.2 -0.967 39.6 -39.6-168.6 152.9 128.5 4.6 5.5 87 87 A D E -J 210 0B 6 123,-0.4 38,-2.5 -2,-0.3 39,-1.2 -0.915 55.0-138.7-116.3 -26.2 125.6 4.7 5.5 88 88 A G E -JK 209 124B 0 121,-1.3 121,-1.8 36,-0.2 2,-0.3 -0.813 18.4 -90.7 135.3-176.2 123.6 3.9 8.6 89 89 A L E -JK 208 123B 0 34,-1.5 34,-2.4 -2,-0.3 2,-0.3 -0.926 27.5-161.2-135.0 159.8 120.5 2.0 9.7 90 90 A V E -JK 207 122B 0 117,-2.6 117,-1.8 -2,-0.3 2,-0.5 -0.980 18.5-139.2-142.6 152.9 116.8 3.0 10.3 91 91 A F E +JK 206 121B 3 30,-2.5 30,-2.9 -2,-0.3 2,-0.3 -0.921 43.0 177.3-103.9 135.0 113.8 1.7 12.1 92 92 A F E -JK 205 120B 1 113,-3.0 113,-1.9 -2,-0.5 2,-0.4 -0.969 34.6-147.8-147.5 163.2 110.8 2.2 9.8 93 93 A I E +JK 204 119B 2 26,-2.6 26,-1.9 -2,-0.3 111,-0.2 -0.995 34.1 151.8-126.4 128.7 107.1 1.8 9.2 94 94 A A E -J 203 0B 0 109,-2.1 109,-2.8 -2,-0.4 24,-0.2 -0.921 49.2 -68.6-149.9 172.6 105.7 1.3 5.6 95 95 A P - 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