==== 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 2DU0 . 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) . 36994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 614 64.8 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 . 382 40.3 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 . 102 10.8 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 . 4 18 1 5 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 3 1 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 97 0, 0.0 234,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.4 93.2 -5.1 20.3 2 2 A T E -A 234 0A 98 232,-0.2 2,-0.3 234,-0.1 232,-0.2 -0.991 360.0-171.0-132.8 138.9 96.9 -5.4 21.2 3 3 A I E +A 233 0A 54 230,-1.9 230,-2.7 -2,-0.4 2,-0.3 -0.912 14.1 153.3-126.2 155.2 99.8 -7.0 19.4 4 4 A S E -A 232 0A 73 -2,-0.3 2,-0.3 228,-0.2 228,-0.2 -0.950 15.3-176.3-176.2 154.7 103.4 -7.7 20.4 5 5 A F E -A 231 0A 17 226,-1.8 226,-2.7 -2,-0.3 2,-0.3 -0.972 11.2-150.6-153.6 160.9 106.4 -9.8 19.9 6 6 A N E -A 230 0A 91 -2,-0.3 2,-0.4 224,-0.2 224,-0.2 -0.995 8.1-172.6-142.0 143.5 109.9 -10.2 21.5 7 7 A F E +A 229 0A 8 222,-1.0 222,-2.4 -2,-0.3 3,-0.1 -0.906 7.9 176.5-137.6 105.1 113.3 -11.3 20.2 8 8 A N S S- 0 0 109 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.593 84.7 -15.2 -81.8 -10.5 116.0 -11.6 22.8 9 9 A Q S S- 0 0 89 220,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.907 80.8-103.5-173.2 174.0 118.2 -12.9 20.0 10 10 A F - 0 0 1 19,-1.9 2,-0.4 -2,-0.3 19,-0.1 -0.914 23.2-148.3-119.2 145.0 117.5 -14.2 16.5 11 11 A H - 0 0 108 -2,-0.4 3,-0.4 17,-0.1 16,-0.1 -0.902 29.4-101.6-113.5 141.4 117.5 -17.7 15.2 12 12 A Q S S+ 0 0 106 -2,-0.4 14,-0.1 1,-0.2 -1,-0.1 -0.209 108.4 18.9 -54.6 146.4 118.5 -18.9 11.8 13 13 A N S S- 0 0 161 1,-0.2 2,-0.3 12,-0.1 -1,-0.2 0.937 86.7-171.6 53.0 52.8 115.4 -19.6 9.6 14 14 A E - 0 0 38 -3,-0.4 3,-0.2 1,-0.1 -1,-0.2 -0.609 18.1-154.4 -76.4 129.7 113.1 -17.6 11.9 15 15 A E S S+ 0 0 173 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.703 90.8 55.7 -79.9 -19.5 109.5 -18.0 10.9 16 16 A Q S S+ 0 0 70 36,-0.1 36,-3.5 35,-0.1 37,-0.4 0.664 100.7 67.6 -86.9 -17.2 108.4 -14.7 12.3 17 17 A L E -H 51 0B 13 34,-0.2 2,-0.5 -3,-0.2 34,-0.2 -0.740 64.4-151.5-105.9 154.0 110.9 -12.6 10.3 18 18 A K E -H 50 0B 89 32,-2.6 32,-2.4 -2,-0.3 2,-0.3 -0.951 17.5-158.7-124.6 106.5 111.1 -11.9 6.6 19 19 A L E -H 49 0B 66 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.670 7.6-167.0 -88.8 140.4 114.6 -11.3 5.4 20 20 A Q E > -H 48 0B 24 28,-2.3 28,-1.7 -2,-0.3 3,-1.6 -0.972 47.7 -26.6-130.6 145.0 115.3 -9.4 2.2 21 21 A R E 3 S-H 47 0B 149 -2,-0.4 26,-0.2 1,-0.2 13,-0.0 -0.300 127.4 -5.4 58.6-131.1 118.5 -9.0 0.1 22 22 A D T 3 S+ 0 0 53 24,-2.6 -1,-0.2 11,-0.1 25,-0.2 0.540 99.5 121.1 -73.6 -7.3 121.7 -9.2 2.0 23 23 A A < + 0 0 8 -3,-1.6 2,-0.3 23,-0.3 10,-0.2 -0.345 35.0 158.9 -62.2 133.4 120.0 -9.5 5.4 24 24 A R E -B 32 0A 123 8,-2.4 8,-2.5 10,-0.1 2,-0.6 -0.992 41.1-116.9-154.6 152.7 120.9 -12.7 7.2 25 25 A I E -B 31 0A 7 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.835 34.6-132.4 -96.5 119.7 121.0 -14.1 10.8 26 26 A S > - 0 0 7 4,-2.7 3,-1.3 -2,-0.6 -14,-0.2 -0.145 24.1-105.2 -66.4 164.5 124.4 -15.0 12.1 27 27 A S T 3 S+ 0 0 104 1,-0.3 -15,-0.1 2,-0.1 -1,-0.1 0.812 117.9 54.0 -59.8 -33.0 125.2 -18.3 13.8 28 28 A N T 3 S- 0 0 124 2,-0.1 -1,-0.3 -17,-0.1 -2,-0.1 -0.061 124.4 -91.8 -99.0 37.3 125.4 -16.6 17.1 29 29 A S S < S+ 0 0 14 -3,-1.3 -19,-1.9 1,-0.2 2,-0.4 0.594 80.4 127.8 75.1 12.7 122.0 -14.9 17.1 30 30 A V - 0 0 24 -21,-0.2 -4,-2.7 195,-0.0 2,-0.9 -0.832 56.5-128.9-105.3 145.8 122.6 -11.5 15.7 31 31 A L E -BC 25 226A 0 195,-2.4 195,-2.2 -2,-0.4 2,-0.9 -0.798 21.7-162.0 -90.4 105.4 120.6 -10.0 12.8 32 32 A E E -BC 24 225A 26 -8,-2.5 -8,-2.4 -2,-0.9 193,-0.2 -0.794 9.8-176.9 -92.4 104.6 123.1 -8.8 10.2 33 33 A L + 0 0 0 191,-2.1 2,-0.3 -2,-0.9 -1,-0.2 0.899 68.6 44.9 -66.9 -42.0 121.3 -6.4 7.9 34 34 A T S S- 0 0 1 190,-0.3 190,-0.3 -11,-0.1 -10,-0.1 -0.825 99.2 -87.6-112.7 148.8 124.3 -5.8 5.7 35 35 A K + 0 0 101 -2,-0.3 7,-2.2 6,-0.1 2,-0.3 -0.115 42.2 175.8 -49.0 133.6 126.9 -8.2 4.2 36 36 A V E -N 41 0C 24 5,-0.3 2,-0.6 -4,-0.1 3,-0.3 -0.907 11.0-162.7-146.7 113.6 129.9 -9.0 6.3 37 37 A V E > S-N 40 0C 78 3,-2.3 3,-0.6 -2,-0.3 -2,-0.0 -0.888 72.3 -19.8-105.4 119.5 132.5 -11.6 5.1 38 38 A N T 3 S- 0 0 172 -2,-0.6 -1,-0.2 1,-0.2 0, 0.0 0.932 130.3 -44.9 50.8 55.7 134.9 -13.1 7.6 39 39 A G T 3 S+ 0 0 50 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.0 0.647 119.2 109.5 68.1 16.8 134.5 -10.3 10.1 40 40 A V E < -N 37 0C 65 -3,-0.6 -3,-2.3 182,-0.0 -1,-0.1 -0.964 65.5-131.5-130.0 119.1 134.7 -7.6 7.5 41 41 A P E -N 36 0C 4 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.366 24.6-143.3 -65.8 143.6 131.8 -5.4 6.4 42 42 A T - 0 0 37 -7,-2.2 180,-0.4 180,-0.2 3,-0.3 -0.679 4.9-127.3-107.5 160.8 131.3 -5.1 2.6 43 43 A W S S+ 0 0 52 -2,-0.2 169,-0.2 1,-0.2 3,-0.1 -0.339 87.9 46.3 -92.9-178.4 130.2 -2.2 0.5 44 44 A N S S+ 0 0 94 167,-3.3 2,-0.4 1,-0.2 -1,-0.2 0.857 87.2 139.3 52.3 35.6 127.4 -2.3 -2.1 45 45 A S + 0 0 0 -3,-0.3 165,-2.5 166,-0.3 2,-0.3 -0.915 27.0 170.3-117.7 143.6 125.3 -4.1 0.5 46 46 A T E + I 0 209B 8 -2,-0.4 -24,-2.6 163,-0.2 2,-0.3 -0.982 5.3 166.2-149.2 132.6 121.6 -3.6 1.4 47 47 A G E -HI 21 208B 0 161,-1.6 161,-2.2 -2,-0.3 2,-0.3 -0.999 12.6-166.7-151.1 149.5 119.3 -5.7 3.6 48 48 A R E -HI 20 207B 0 -28,-1.7 -28,-2.3 -2,-0.3 2,-0.4 -0.915 6.0-161.4-131.9 158.1 116.0 -5.5 5.3 49 49 A A E -HI 19 206B 0 157,-2.4 157,-2.4 -2,-0.3 2,-0.3 -0.947 15.4-175.7-142.3 115.3 114.2 -7.5 8.0 50 50 A L E -HI 18 205B 3 -32,-2.4 -32,-2.6 -2,-0.4 2,-0.6 -0.848 35.0-107.0-113.2 151.3 110.4 -7.2 8.3 51 51 A Y E -H 17 0B 15 153,-2.6 153,-0.3 -2,-0.3 -34,-0.2 -0.673 35.1-128.5 -76.0 121.0 108.1 -8.7 10.9 52 52 A A S S+ 0 0 30 -36,-3.5 -1,-0.1 -2,-0.6 -35,-0.1 0.787 87.5 62.6 -37.8 -47.3 106.4 -11.5 9.0 53 53 A K S S- 0 0 131 -37,-0.4 151,-0.3 1,-0.1 2,-0.1 -0.641 85.9-119.0 -91.7 143.8 102.9 -10.4 10.0 54 54 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.475 25.0-145.6 -75.5 147.7 101.3 -7.1 9.1 55 55 A V E -O 202 0D 4 147,-3.4 147,-3.4 -2,-0.1 2,-0.8 -0.915 10.7-128.1-116.2 144.3 100.2 -4.8 11.9 56 56 A Q E +O 201 0D 86 -2,-0.4 145,-0.3 145,-0.2 144,-0.1 -0.811 25.6 176.0 -93.9 109.2 97.2 -2.5 11.9 57 57 A V + 0 0 3 143,-1.7 9,-4.2 -2,-0.8 2,-0.3 0.684 68.1 10.6 -85.8 -19.3 98.1 1.1 12.9 58 58 A W B -P 65 0E 12 142,-1.2 2,-0.5 7,-0.3 7,-0.2 -0.990 63.5-133.1-158.2 153.7 94.7 2.6 12.3 59 59 A D > - 0 0 22 5,-2.3 4,-2.7 -2,-0.3 5,-0.3 -0.941 3.5-158.3-114.5 120.8 91.1 1.6 11.7 60 60 A S T 4 S+ 0 0 7 -2,-0.5 -1,-0.1 1,-0.2 784,-0.0 0.781 92.6 58.8 -63.3 -31.0 89.0 3.3 9.0 61 61 A T T 4 S+ 0 0 87 1,-0.2 786,-0.4 785,-0.1 -1,-0.2 0.939 122.0 21.0 -67.0 -48.6 85.8 2.3 10.8 62 62 A T T 4 S- 0 0 69 2,-0.1 -2,-0.2 175,-0.1 -1,-0.2 0.661 95.2-131.5 -94.4 -19.8 86.5 4.1 14.0 63 63 A G < + 0 0 20 -4,-2.7 -3,-0.2 1,-0.3 2,-0.1 0.423 58.2 145.6 81.4 -2.2 89.1 6.5 12.8 64 64 A N - 0 0 64 -5,-0.3 -5,-2.3 -6,-0.0 2,-0.4 -0.376 37.9-149.8 -71.5 144.1 91.3 5.5 15.7 65 65 A V B -P 58 0E 25 -7,-0.2 -7,-0.3 -3,-0.1 103,-0.1 -0.910 18.3-115.7-117.2 143.2 95.0 5.3 15.4 66 66 A A - 0 0 0 -9,-4.2 2,-0.4 -2,-0.4 169,-0.2 -0.362 14.6-143.5 -77.9 154.6 97.3 3.0 17.3 67 67 A S E -D 234 0A 38 167,-1.8 167,-2.8 100,-0.1 2,-0.3 -0.858 27.5-179.2-110.0 148.5 99.9 3.8 19.9 68 68 A F E -DE 233 166A 11 98,-1.7 98,-3.2 -2,-0.4 2,-0.4 -0.993 23.5-158.6-152.5 159.7 103.1 1.8 20.0 69 69 A E E -DE 232 165A 59 163,-2.2 163,-1.7 -2,-0.3 2,-0.4 -0.996 12.6-178.9-135.8 137.5 106.4 1.2 21.6 70 70 A T E -DE 231 164A 1 94,-2.7 94,-3.2 -2,-0.4 2,-0.4 -0.995 3.4-172.1-142.4 134.8 109.4 -0.6 20.2 71 71 A R E +DE 230 163A 66 159,-1.8 159,-2.8 -2,-0.4 2,-0.3 -0.966 14.5 159.0-125.5 140.5 112.8 -1.2 21.8 72 72 A F E -DE 229 162A 4 90,-1.9 90,-2.7 -2,-0.4 2,-0.4 -0.993 29.4-135.6-158.1 159.1 115.8 -2.6 20.2 73 73 A S E +DE 228 161A 20 155,-1.6 154,-2.2 -2,-0.3 155,-0.9 -0.960 26.1 174.0-119.3 137.2 119.6 -2.9 20.4 74 74 A F E -DE 226 160A 1 86,-1.9 86,-2.3 -2,-0.4 2,-0.4 -0.886 17.2-152.5-136.3 168.2 122.0 -2.4 17.6 75 75 A S E -D 225 0A 17 150,-2.3 150,-2.3 -2,-0.3 2,-0.5 -0.989 3.2-168.3-144.4 133.2 125.7 -2.2 17.0 76 76 A I - 0 0 2 82,-0.4 81,-2.4 79,-0.4 2,-0.5 -0.971 6.8-168.6-123.7 112.2 127.6 -0.4 14.3 77 77 A R - 0 0 92 -2,-0.5 146,-2.0 79,-0.2 79,-0.1 -0.907 4.3-162.9-103.4 126.0 131.2 -1.3 13.9 78 78 A Q + 0 0 38 -2,-0.5 144,-0.1 144,-0.2 78,-0.1 -0.806 14.8 171.4-110.9 88.4 133.2 1.1 11.6 79 79 A P + 0 0 48 0, 0.0 -1,-0.2 0, 0.0 143,-0.1 0.875 69.9 53.2 -62.4 -43.8 136.5 -0.7 10.7 80 80 A F + 0 0 64 141,-0.4 141,-0.3 139,-0.3 4,-0.1 -0.787 59.7 179.6-103.6 95.2 137.6 1.8 8.1 81 81 A P + 0 0 91 0, 0.0 -1,-0.2 0, 0.0 138,-0.0 0.793 53.4 97.3 -60.6 -32.7 137.7 5.3 9.5 82 82 A R S S- 0 0 184 2,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.906 91.1 -1.8-111.2 137.8 138.9 6.8 6.2 83 83 A P S S- 0 0 42 0, 0.0 -1,-0.1 0, 0.0 137,-0.0 -0.914 122.3 -51.3 -82.3 -35.2 137.4 8.1 4.0 84 84 A H - 0 0 62 -4,-0.1 -2,-0.1 -2,-0.1 127,-0.1 -0.783 40.1-125.4-171.9 123.1 133.9 7.7 5.4 85 85 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.337 46.3-114.2 -66.8 153.1 131.7 4.9 6.9 86 86 A A - 0 0 1 133,-0.2 125,-0.7 40,-0.1 136,-0.2 -0.986 39.1 -35.1-159.5 153.9 128.3 4.5 5.3 87 87 A D E -J 210 0B 5 123,-0.4 38,-2.5 -2,-0.3 39,-1.1 -0.928 55.5-135.6-117.9 -22.6 125.4 4.6 5.3 88 88 A G E -JK 209 124B 0 121,-1.2 121,-1.7 36,-0.2 2,-0.3 -0.756 18.6 -95.2 132.9-179.4 123.4 3.7 8.4 89 89 A L E -JK 208 123B 0 34,-1.3 34,-2.3 -2,-0.2 2,-0.3 -0.929 27.9-163.1-134.5 157.1 120.3 1.8 9.5 90 90 A V E -JK 207 122B 0 117,-2.9 117,-1.7 -2,-0.3 2,-0.5 -0.947 19.4-136.7-140.5 161.2 116.7 2.6 10.1 91 91 A F E +JK 206 121B 4 30,-2.1 30,-2.5 -2,-0.3 2,-0.3 -0.957 41.8 179.1-110.3 132.9 113.6 1.3 11.7 92 92 A F E -JK 205 120B 0 113,-2.8 113,-1.8 -2,-0.5 2,-0.4 -0.921 33.8-148.9-142.2 167.9 110.6 1.8 9.5 93 93 A I E +JK 204 119B 4 26,-2.0 26,-1.8 -2,-0.3 111,-0.2 -0.998 33.6 154.4-131.2 129.3 106.9 1.4 8.9 94 94 A A E -J 203 0B 0 109,-1.8 109,-2.9 -2,-0.4 24,-0.2 -0.929 49.6 -71.3-149.6 170.8 105.7 0.9 5.4 95 95 A P > - 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