==== 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 2DU1 . 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) . 37348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 63.5 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 . 384 40.5 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 . 89 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 6.8 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 . 5 16 0 7 8 9 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,-3.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 110.3 93.4 -4.7 20.1 2 2 A T E -A 234 0A 100 232,-0.2 2,-0.4 234,-0.1 232,-0.2 -0.979 360.0-175.5-129.6 117.6 97.0 -5.1 21.3 3 3 A I E +A 233 0A 57 230,-1.7 230,-2.8 -2,-0.4 2,-0.3 -0.889 15.7 154.1-112.4 144.3 99.7 -6.7 19.2 4 4 A S E +A 232 0A 73 -2,-0.4 2,-0.3 228,-0.2 228,-0.2 -0.993 18.1 179.7-165.8 159.2 103.2 -7.4 20.3 5 5 A F E -A 231 0A 18 226,-2.2 226,-2.6 -2,-0.3 2,-0.3 -0.966 9.9-154.6-155.7 165.9 106.3 -9.5 20.1 6 6 A N E -A 230 0A 95 -2,-0.3 2,-0.4 224,-0.2 224,-0.2 -0.988 4.9-169.2-151.3 138.3 109.8 -9.8 21.5 7 7 A F E -A 229 0A 15 222,-1.5 222,-2.1 -2,-0.3 3,-0.1 -0.932 7.6-179.7-131.1 107.6 113.2 -11.1 20.4 8 8 A N S S- 0 0 104 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.661 83.9 -16.3 -77.1 -14.8 115.9 -11.5 22.9 9 9 A Q S S- 0 0 91 220,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.933 78.1-104.3-171.7 173.0 118.0 -12.8 20.1 10 10 A F - 0 0 1 19,-2.1 2,-0.4 -2,-0.3 19,-0.1 -0.882 21.8-157.1-118.6 148.1 117.5 -14.1 16.6 11 11 A H > - 0 0 108 -2,-0.3 3,-0.7 17,-0.1 16,-0.1 -0.935 32.8 -98.4-121.8 145.2 117.6 -17.6 15.1 12 12 A Q T 3 S+ 0 0 115 -2,-0.4 3,-0.2 1,-0.2 14,-0.0 -0.309 111.9 23.3 -57.7 143.0 118.2 -18.7 11.5 13 13 A N T 3 S- 0 0 163 1,-0.2 2,-1.0 12,-0.1 -1,-0.2 0.897 80.1-178.4 64.4 40.8 114.9 -19.4 9.8 14 14 A E X - 0 0 38 -3,-0.7 3,-2.2 1,-0.2 -1,-0.2 -0.632 17.0-155.8 -72.2 103.6 113.0 -17.2 12.2 15 15 A E T 3 S+ 0 0 174 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.0 0.693 89.2 62.6 -58.2 -16.2 109.5 -17.8 10.8 16 16 A Q T 3 S+ 0 0 54 36,-0.1 36,-3.1 35,-0.1 2,-0.3 0.584 96.3 69.4 -85.0 -13.3 108.5 -14.4 12.3 17 17 A L E < -H 51 0B 18 -3,-2.2 2,-0.6 34,-0.2 34,-0.2 -0.830 63.5-151.5-112.3 149.2 110.9 -12.4 10.2 18 18 A K E -H 50 0B 102 32,-2.9 32,-2.5 -2,-0.3 2,-0.4 -0.946 19.5-162.2-116.6 106.3 111.0 -11.6 6.5 19 19 A L E -H 49 0B 58 -2,-0.6 2,-0.3 30,-0.2 30,-0.2 -0.738 7.2-169.0 -91.0 137.2 114.6 -11.1 5.4 20 20 A Q E > -H 48 0B 18 28,-2.3 3,-1.9 -2,-0.4 28,-1.4 -0.953 47.5 -25.3-128.5 148.3 115.3 -9.3 2.2 21 21 A R E 3 S-H 47 0B 150 -2,-0.3 26,-0.2 1,-0.3 13,-0.0 -0.254 128.7 -4.5 55.4-132.3 118.4 -8.8 0.1 22 22 A D T 3 S+ 0 0 50 24,-2.4 -1,-0.3 11,-0.1 25,-0.2 0.488 97.7 124.9 -71.4 -4.9 121.6 -9.0 2.1 23 23 A A < + 0 0 10 -3,-1.9 2,-0.3 23,-0.2 10,-0.2 -0.345 33.1 162.2 -61.8 132.2 119.9 -9.4 5.4 24 24 A R E -B 32 0A 47 8,-2.2 8,-2.6 10,-0.1 2,-0.6 -0.987 38.2-128.3-155.0 141.4 121.0 -12.5 7.3 25 25 A I E -B 31 0A 14 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.805 33.0-135.1 -91.3 122.8 120.9 -13.8 10.8 26 26 A S > - 0 0 18 4,-2.7 3,-1.3 -2,-0.6 -14,-0.1 -0.226 21.9-107.5 -73.6 166.2 124.4 -15.0 12.0 27 27 A S T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -15,-0.1 0.766 116.8 60.7 -65.2 -24.9 125.0 -18.2 13.9 28 28 A N T 3 S- 0 0 124 2,-0.1 -1,-0.3 -17,-0.0 -2,-0.1 0.030 123.4 -96.9 -95.4 30.6 125.6 -16.3 17.1 29 29 A S S < S+ 0 0 15 -3,-1.3 -19,-2.1 1,-0.2 2,-0.3 0.511 79.7 126.7 75.4 10.0 122.1 -14.8 17.2 30 30 A V - 0 0 14 -21,-0.2 -4,-2.7 195,-0.0 2,-0.8 -0.769 57.0-128.8-105.2 147.5 122.5 -11.4 15.6 31 31 A L E -BC 25 226A 0 195,-2.4 195,-2.5 -2,-0.3 2,-0.9 -0.818 22.4-163.1 -91.8 107.2 120.6 -9.9 12.8 32 32 A E E -BC 24 225A 43 -8,-2.6 -8,-2.2 -2,-0.8 193,-0.2 -0.813 8.2-174.6 -95.7 103.3 123.1 -8.5 10.3 33 33 A L + 0 0 0 191,-2.0 2,-0.3 -2,-0.9 -1,-0.2 0.906 69.5 42.6 -62.8 -44.9 121.3 -6.1 8.0 34 34 A T S S- 0 0 2 190,-0.3 190,-0.3 -11,-0.1 -10,-0.1 -0.765 101.0 -83.2-109.7 155.5 124.3 -5.6 5.7 35 35 A K + 0 0 106 -2,-0.3 7,-2.0 7,-0.1 2,-0.4 -0.219 42.0 176.4 -55.7 129.4 126.8 -7.9 4.3 36 36 A V E -N 41 0C 28 5,-0.2 2,-0.5 -4,-0.1 3,-0.3 -0.922 8.3-167.3-139.8 109.2 129.8 -8.9 6.5 37 37 A V E > S-N 40 0C 64 3,-2.4 3,-1.5 -2,-0.4 -2,-0.0 -0.877 71.2 -14.9-104.2 123.7 132.3 -11.5 5.1 38 38 A N T 3 S- 0 0 170 -2,-0.5 -1,-0.2 1,-0.3 0, 0.0 0.923 130.8 -50.0 54.1 47.6 134.9 -13.0 7.4 39 39 A G T 3 S+ 0 0 55 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.534 120.1 109.5 71.1 5.9 134.3 -10.4 10.1 40 40 A V E < -N 37 0C 61 -3,-1.5 -3,-2.4 182,-0.0 2,-0.2 -0.956 64.1-134.9-119.3 128.6 134.7 -7.6 7.5 41 41 A P E -N 36 0C 3 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.548 23.0-148.3 -78.5 143.4 131.8 -5.4 6.3 42 42 A T - 0 0 36 -7,-2.0 180,-0.3 -2,-0.2 3,-0.3 -0.770 8.5-120.5-113.0 160.0 131.6 -4.7 2.6 43 43 A W S S+ 0 0 54 -2,-0.3 169,-0.2 175,-0.2 178,-0.1 -0.106 89.4 50.0 -80.7-175.2 130.3 -1.8 0.5 44 44 A N S S+ 0 0 95 167,-3.4 2,-0.4 176,-0.2 -1,-0.2 0.834 84.3 137.8 50.8 37.3 127.5 -2.1 -2.1 45 45 A S + 0 0 0 166,-0.3 165,-2.6 -3,-0.3 2,-0.3 -0.922 25.6 167.3-119.6 143.7 125.3 -3.8 0.5 46 46 A T E + I 0 209B 8 -2,-0.4 -24,-2.4 163,-0.2 2,-0.3 -0.991 6.8 160.5-149.5 140.5 121.6 -3.3 1.4 47 47 A G E -HI 21 208B 0 161,-1.7 161,-2.0 -2,-0.3 2,-0.3 -0.982 15.6-161.6-162.0 152.0 119.2 -5.4 3.5 48 48 A R E -HI 20 207B 0 -28,-1.4 -28,-2.3 -2,-0.3 2,-0.4 -0.922 6.0-157.8-135.2 159.1 115.9 -5.2 5.3 49 49 A A E -HI 19 206B 0 157,-2.2 157,-2.3 -2,-0.3 2,-0.3 -0.962 16.8-175.5-140.2 117.2 114.2 -7.2 8.0 50 50 A L E -HI 18 205B 6 -32,-2.5 -32,-2.9 -2,-0.4 2,-0.5 -0.861 34.2-108.4-115.6 150.6 110.4 -7.0 8.4 51 51 A Y E -H 17 0B 14 153,-2.3 153,-0.2 -2,-0.3 -34,-0.2 -0.660 34.9-129.1 -74.5 126.3 108.0 -8.5 10.9 52 52 A A S S+ 0 0 48 -36,-3.1 -1,-0.1 -2,-0.5 -35,-0.1 0.793 86.8 61.7 -46.4 -41.4 106.2 -11.2 9.0 53 53 A K S S- 0 0 103 -37,-0.3 151,-0.3 1,-0.1 2,-0.1 -0.653 85.6-118.3 -95.2 149.0 102.7 -10.1 10.0 54 54 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.499 24.0-143.9 -80.4 151.9 101.1 -6.7 9.2 55 55 A V E -O 202 0D 3 147,-3.0 147,-2.9 -2,-0.1 2,-0.8 -0.926 11.6-126.9-119.0 144.5 100.1 -4.4 12.0 56 56 A Q E +O 201 0D 81 -2,-0.4 145,-0.2 145,-0.2 144,-0.1 -0.803 26.3 175.2 -92.3 109.8 97.1 -2.1 12.1 57 57 A V + 0 0 6 143,-1.8 9,-4.1 -2,-0.8 2,-0.3 0.692 68.8 3.8 -85.8 -21.6 98.1 1.4 12.9 58 58 A W B -P 65 0E 12 142,-1.2 2,-0.5 7,-0.3 7,-0.2 -0.992 61.1-132.7-160.4 160.1 94.6 2.9 12.4 59 59 A D > - 0 0 28 5,-2.4 4,-2.7 -2,-0.3 5,-0.3 -0.965 4.2-158.6-121.4 118.4 91.0 2.0 11.7 60 60 A S T 4 S+ 0 0 13 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.760 92.0 61.5 -65.9 -24.3 89.0 3.9 9.1 61 61 A T T 4 S+ 0 0 82 1,-0.2 786,-0.4 785,-0.1 -1,-0.2 0.933 121.6 19.5 -68.8 -45.0 85.7 2.8 10.7 62 62 A T T 4 S- 0 0 67 175,-0.5 -2,-0.2 -3,-0.2 -1,-0.2 0.617 95.8-130.4 -99.3 -15.4 86.4 4.5 14.0 63 63 A G < + 0 0 17 -4,-2.7 -3,-0.2 1,-0.3 2,-0.1 0.402 57.9 147.8 80.4 -4.7 89.0 6.9 12.9 64 64 A N - 0 0 64 173,-0.3 -5,-2.4 -5,-0.3 2,-0.4 -0.388 35.7-152.9 -69.5 138.6 91.2 5.7 15.8 65 65 A V B -P 58 0E 25 -7,-0.2 -7,-0.3 -2,-0.1 103,-0.1 -0.868 18.4-116.7-111.1 145.4 94.9 5.7 15.5 66 66 A A - 0 0 1 -9,-4.1 2,-0.3 -2,-0.4 169,-0.2 -0.413 13.6-143.5 -83.7 156.5 97.2 3.3 17.4 67 67 A S E +D 234 0A 39 167,-1.7 167,-2.7 100,-0.1 2,-0.3 -0.822 27.8 178.5-109.4 151.4 99.8 4.1 20.0 68 68 A F E -DE 233 166A 13 98,-1.9 98,-2.9 -2,-0.3 2,-0.4 -0.997 22.9-157.8-156.7 161.2 103.0 2.0 20.1 69 69 A E E -DE 232 165A 60 163,-2.3 163,-2.3 -2,-0.3 2,-0.4 -0.999 12.2-178.9-140.6 137.1 106.3 1.5 21.7 70 70 A T E -DE 231 164A 1 94,-2.7 94,-3.2 -2,-0.4 2,-0.4 -0.997 3.8-173.0-142.6 137.1 109.4 -0.3 20.3 71 71 A R E +DE 230 163A 77 159,-1.9 159,-2.8 -2,-0.4 2,-0.3 -0.973 14.2 158.4-127.4 140.5 112.8 -1.0 21.9 72 72 A F E -DE 229 162A 4 90,-1.8 90,-2.6 -2,-0.4 2,-0.4 -0.989 29.0-134.9-157.1 161.3 115.8 -2.5 20.2 73 73 A S E +DE 228 161A 19 155,-1.5 154,-2.8 -2,-0.3 155,-0.9 -0.960 26.2 173.1-121.0 140.0 119.6 -2.7 20.5 74 74 A F E -DE 226 160A 1 86,-1.7 86,-2.3 -2,-0.4 2,-0.4 -0.900 17.6-151.1-139.8 168.1 122.0 -2.3 17.6 75 75 A S E -D 225 0A 14 150,-2.1 150,-2.3 -2,-0.3 2,-0.5 -0.993 3.7-168.1-144.8 135.7 125.7 -2.1 17.0 76 76 A I - 0 0 1 82,-0.5 81,-2.6 79,-0.4 2,-0.5 -0.979 6.6-168.8-125.3 114.2 127.6 -0.3 14.3 77 77 A R - 0 0 94 -2,-0.5 146,-1.9 79,-0.2 79,-0.1 -0.918 5.7-161.5-106.1 128.5 131.3 -1.1 14.0 78 78 A Q + 0 0 36 -2,-0.5 144,-0.1 144,-0.2 78,-0.1 -0.830 14.0 173.6-112.5 92.0 133.2 1.2 11.7 79 79 A P S S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 143,-0.1 0.825 71.3 51.8 -64.8 -37.6 136.5 -0.7 10.8 80 80 A F + 0 0 63 141,-0.4 141,-0.3 139,-0.3 4,-0.1 -0.849 59.7 178.6-111.4 100.1 137.7 1.9 8.2 81 81 A P + 0 0 96 0, 0.0 -1,-0.2 0, 0.0 138,-0.0 0.914 54.3 89.0 -61.7 -47.9 137.7 5.5 9.6 82 82 A R S S+ 0 0 210 2,-0.1 2,-0.2 1,-0.1 0, 0.0 -0.836 92.4 8.2-101.6 140.1 139.1 7.1 6.4 83 83 A P S S- 0 0 57 0, 0.0 -1,-0.1 0, 0.0 137,-0.0 -0.871 121.3 -61.3 -75.6 -44.0 137.6 8.2 4.0 84 84 A H - 0 0 70 -2,-0.2 -2,-0.1 -4,-0.1 42,-0.1 -0.839 39.2-120.5-172.6 130.5 134.1 7.9 5.5 85 85 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.269 43.1-112.1 -70.4 164.1 131.7 5.2 6.8 86 86 A A - 0 0 2 133,-0.2 125,-0.7 40,-0.1 136,-0.2 -0.960 40.9 -35.3-168.4 152.3 128.3 4.6 5.3 87 87 A D E -J 210 0B 6 123,-0.4 38,-2.3 -2,-0.3 39,-1.1 -0.924 54.2-142.0-116.3 -23.3 125.4 4.7 5.3 88 88 A G E -JK 209 124B 0 121,-1.2 121,-1.6 36,-0.2 2,-0.3 -0.763 20.3 -91.6 130.0-176.6 123.5 3.9 8.5 89 89 A L E -JK 208 123B 0 34,-1.5 34,-2.5 -2,-0.2 2,-0.3 -0.913 26.3-160.6-135.4 162.2 120.3 2.1 9.5 90 90 A V E -JK 207 122B 0 117,-2.7 117,-1.8 -2,-0.3 2,-0.5 -0.977 18.2-139.7-143.2 155.3 116.7 2.9 10.1 91 91 A F E +JK 206 121B 3 30,-2.2 30,-2.7 -2,-0.3 2,-0.3 -0.939 42.4 179.4-106.7 133.1 113.6 1.6 11.8 92 92 A F E -JK 205 120B 0 113,-2.9 113,-1.9 -2,-0.5 2,-0.4 -0.939 34.2-149.0-143.0 166.2 110.7 2.1 9.6 93 93 A I E +JK 204 119B 5 26,-2.5 26,-1.9 -2,-0.3 111,-0.2 -1.000 34.1 152.7-129.9 126.2 106.9 1.7 9.0 94 94 A A E -J 203 0B 0 109,-2.0 109,-2.8 -2,-0.4 24,-0.2 -0.905 49.2 -71.6-147.0 172.9 105.7 1.2 5.4 95 95 A P - 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