==== 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-APR-08 2ZMN . 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) . 36666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 607 64.0 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 . 388 40.9 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 . 94 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 6.4 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 16 0 4 8 12 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 95 0, 0.0 234,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.9 93.5 -4.4 20.5 2 2 A T E -A 234 0A 101 232,-0.2 2,-0.4 234,-0.1 232,-0.2 -0.994 360.0-178.4-140.9 133.5 97.1 -5.1 21.2 3 3 A I E +A 233 0A 50 230,-1.9 230,-2.7 -2,-0.4 2,-0.3 -0.979 18.1 155.9-127.0 141.4 100.0 -6.7 19.2 4 4 A S E -A 232 0A 74 -2,-0.4 2,-0.3 228,-0.2 228,-0.3 -0.996 15.3-179.3-162.1 156.1 103.4 -7.2 20.5 5 5 A F E -A 231 0A 24 226,-2.7 226,-2.4 -2,-0.3 2,-0.3 -0.988 8.6-156.8-154.5 158.4 106.6 -9.2 20.1 6 6 A N E -A 230 0A 97 -2,-0.3 2,-0.4 224,-0.2 224,-0.3 -0.998 4.2-168.1-144.2 140.6 110.1 -9.6 21.7 7 7 A F E +A 229 0A 18 222,-1.9 222,-2.2 -2,-0.3 3,-0.1 -0.940 9.4 176.8-130.8 108.0 113.4 -10.9 20.5 8 8 A N S S- 0 0 109 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.626 83.8 -12.8 -80.8 -15.7 116.2 -11.4 23.1 9 9 A Q S S- 0 0 90 220,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.926 79.5-103.4-170.4 168.7 118.3 -12.8 20.3 10 10 A F - 0 0 0 19,-1.9 2,-0.3 -2,-0.3 -3,-0.0 -0.916 26.4-143.7-114.0 134.6 117.7 -13.9 16.7 11 11 A H > - 0 0 109 -2,-0.4 3,-1.2 1,-0.1 2,-0.1 -0.734 28.6-102.7 -97.0 144.6 117.6 -17.5 15.5 12 12 A Q T 3 S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.3 14,-0.1 -0.399 111.9 13.9 -60.0 131.3 118.9 -18.8 12.3 13 13 A N T 3 S- 0 0 145 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.889 86.9-169.1 67.2 40.3 115.8 -19.2 10.1 14 14 A E X - 0 0 52 -3,-1.2 3,-0.8 1,-0.1 -1,-0.2 -0.435 13.8-149.4 -63.2 127.9 113.5 -17.2 12.3 15 15 A E T 3 S+ 0 0 161 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.710 89.0 53.9 -75.4 -22.0 109.9 -17.8 11.1 16 16 A Q T 3 S+ 0 0 45 36,-0.1 36,-2.4 35,-0.1 37,-0.3 0.303 96.4 77.3 -99.7 12.7 108.5 -14.4 12.1 17 17 A L E < -H 51 0B 14 -3,-0.8 2,-0.5 34,-0.2 34,-0.2 -0.784 65.5-146.5-115.1 161.2 111.1 -12.2 10.3 18 18 A K E -H 50 0B 99 32,-1.7 32,-1.9 -2,-0.3 2,-0.3 -0.908 17.1-161.6-129.8 98.9 111.4 -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 -0.670 8.5-169.1 -85.7 138.2 114.9 -11.0 5.6 20 20 A Q E > -H 48 0B 35 28,-2.3 3,-1.6 -2,-0.3 28,-1.5 -0.977 46.7 -28.8-130.1 143.0 115.6 -9.2 2.3 21 21 A R E 3 S-H 47 0B 154 -2,-0.4 26,-0.2 1,-0.3 13,-0.0 -0.230 128.1 -4.3 55.3-140.6 118.7 -8.8 0.2 22 22 A D T 3 S+ 0 0 50 24,-2.1 -1,-0.3 13,-0.0 25,-0.2 0.593 100.5 120.0 -58.5 -14.9 122.0 -9.0 2.2 23 23 A A < + 0 0 7 -3,-1.6 2,-0.3 23,-0.3 10,-0.2 -0.300 36.3 154.9 -57.4 131.5 120.2 -9.2 5.5 24 24 A R E -B 32 0A 115 8,-2.2 8,-2.5 10,-0.1 2,-0.6 -0.989 43.0-114.2-155.8 156.6 121.1 -12.4 7.4 25 25 A I E -B 31 0A 6 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.856 32.8-135.3 -99.3 121.1 121.3 -13.9 10.9 26 26 A S > - 0 0 5 4,-2.5 3,-1.3 -2,-0.6 -16,-0.1 -0.190 22.5-109.1 -69.7 164.2 124.7 -14.8 12.2 27 27 A S T 3 S+ 0 0 106 1,-0.3 -15,-0.2 2,-0.1 -1,-0.1 0.878 117.8 56.1 -62.4 -41.7 125.5 -18.0 14.0 28 28 A N T 3 S- 0 0 119 1,-0.1 -1,-0.3 -17,-0.1 -2,-0.1 0.121 125.7-100.9 -81.8 24.4 126.0 -16.4 17.4 29 29 A S S < S+ 0 0 36 -3,-1.3 -19,-1.9 1,-0.2 2,-0.3 0.691 75.5 132.9 70.4 28.2 122.5 -14.9 17.0 30 30 A V - 0 0 24 -21,-0.1 -4,-2.5 198,-0.0 2,-0.8 -0.815 55.3-123.3-105.8 151.0 122.9 -11.3 15.8 31 31 A L E -BC 25 226A 0 195,-2.5 195,-2.8 -2,-0.3 2,-0.8 -0.829 24.2-163.5 -93.3 111.5 120.9 -9.8 13.0 32 32 A E E -BC 24 225A 26 -8,-2.5 -8,-2.2 -2,-0.8 193,-0.2 -0.849 8.7-174.8 -99.6 107.7 123.3 -8.4 10.4 33 33 A L S S+ 0 0 0 191,-2.1 2,-0.3 -2,-0.8 175,-0.2 0.877 70.4 43.2 -68.8 -41.1 121.5 -6.1 8.1 34 34 A T S S- 0 0 2 190,-0.3 190,-0.3 1,-0.1 -10,-0.1 -0.766 100.1 -86.3-109.3 157.7 124.5 -5.5 5.8 35 35 A K + 0 0 101 -2,-0.3 7,-1.4 188,-0.1 2,-0.3 -0.185 41.5 176.6 -58.7 144.3 127.0 -8.0 4.4 36 36 A V E -N 41 0C 25 5,-0.2 2,-0.5 -4,-0.1 3,-0.2 -0.882 6.1-170.9-153.5 115.9 130.1 -8.8 6.4 37 37 A V E > -N 40 0C 73 3,-2.5 3,-1.0 -2,-0.3 -2,-0.0 -0.959 68.8 -5.3-120.8 126.0 132.6 -11.5 5.2 38 38 A N T 3 S- 0 0 106 -2,-0.5 -1,-0.2 1,-0.3 0, 0.0 0.832 130.9 -55.3 67.9 33.1 135.5 -12.9 7.2 39 39 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.0 0.525 118.8 111.9 77.9 4.9 134.8 -10.6 10.0 40 40 A V E < -N 37 0C 65 -3,-1.0 -3,-2.5 182,-0.0 -1,-0.2 -0.949 67.7-124.6-119.1 131.1 135.0 -7.6 7.6 41 41 A P E -N 36 0C 4 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.477 27.6-142.6 -72.0 136.6 132.2 -5.3 6.5 42 42 A T - 0 0 37 -7,-1.4 180,-0.4 -2,-0.2 3,-0.3 -0.622 5.8-127.1 -99.6 156.3 131.7 -5.0 2.7 43 43 A W S S+ 0 0 45 -2,-0.2 169,-0.2 1,-0.2 178,-0.1 -0.349 88.0 43.7 -89.0 177.7 130.8 -2.0 0.6 44 44 A N S S+ 0 0 95 167,-3.3 2,-0.3 176,-0.3 -1,-0.2 0.867 86.0 139.3 54.2 40.0 127.9 -2.0 -1.8 45 45 A S + 0 0 1 -3,-0.3 165,-2.2 166,-0.2 59,-0.3 -0.880 27.1 173.6-118.4 150.6 125.6 -3.8 0.6 46 46 A T E + I 0 209B 7 -2,-0.3 -24,-2.1 163,-0.2 2,-0.3 -0.941 5.8 163.5-155.8 128.1 121.9 -3.4 1.5 47 47 A G E -HI 21 208B 0 161,-1.7 161,-2.0 -2,-0.3 2,-0.3 -0.999 12.6-168.3-149.0 151.1 119.6 -5.4 3.7 48 48 A R E -HI 20 207B 0 -28,-1.5 -28,-2.3 -2,-0.3 2,-0.4 -0.909 6.7-159.1-133.4 160.2 116.3 -5.1 5.5 49 49 A A E -HI 19 206B 0 157,-2.4 157,-2.2 -2,-0.3 2,-0.3 -0.970 14.9-174.0-141.8 120.2 114.4 -7.1 8.1 50 50 A L E -HI 18 205B 8 -32,-1.9 -32,-1.7 -2,-0.4 2,-0.6 -0.872 33.1-109.5-117.1 152.1 110.7 -6.9 8.5 51 51 A Y E -H 17 0B 21 153,-2.3 153,-0.3 -2,-0.3 -34,-0.2 -0.706 34.6-130.9 -78.3 122.7 108.3 -8.3 11.1 52 52 A A S S+ 0 0 39 -36,-2.4 -1,-0.1 -2,-0.6 -35,-0.1 0.837 86.5 59.9 -41.9 -55.5 106.4 -11.0 9.1 53 53 A K S S- 0 0 108 -37,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.541 88.1-120.2 -81.1 146.8 102.8 -10.1 10.2 54 54 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 149,-0.2 -0.520 23.0-139.8 -82.5 155.3 101.6 -6.6 9.3 55 55 A V E -O 202 0D 4 147,-2.8 147,-3.2 -2,-0.1 2,-0.7 -0.883 9.6-127.7-115.7 149.1 100.5 -4.2 12.1 56 56 A Q E +O 201 0D 81 -2,-0.3 145,-0.3 145,-0.2 144,-0.1 -0.850 25.3 175.5 -98.5 111.2 97.5 -1.9 12.1 57 57 A V + 0 0 2 143,-1.6 9,-4.4 -2,-0.7 2,-0.3 0.675 68.6 8.9 -87.3 -19.5 98.5 1.7 13.0 58 58 A W B -P 65 0E 10 142,-1.3 2,-0.6 7,-0.3 7,-0.2 -0.988 62.1-135.5-159.8 153.6 95.0 3.2 12.5 59 59 A D > - 0 0 25 5,-2.4 4,-3.2 -2,-0.3 5,-0.3 -0.940 3.8-157.8-117.9 112.9 91.4 2.2 11.8 60 60 A S T 4 S+ 0 0 15 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.802 92.0 59.5 -55.4 -33.1 89.4 4.1 9.2 61 61 A T T 4 S+ 0 0 83 1,-0.2 786,-0.3 785,-0.1 -1,-0.2 0.978 121.3 20.3 -61.2 -60.3 86.2 3.0 10.9 62 62 A T T 4 S- 0 0 66 2,-0.1 -2,-0.2 784,-0.1 -1,-0.2 0.745 97.6-132.0 -82.4 -25.6 86.7 4.6 14.3 63 63 A G < + 0 0 20 -4,-3.2 -3,-0.1 1,-0.3 132,-0.1 0.279 57.1 143.8 90.0 -10.4 89.3 7.0 13.1 64 64 A N - 0 0 63 -5,-0.3 -5,-2.4 -6,-0.1 2,-0.3 -0.318 38.2-152.2 -65.6 140.9 91.6 6.1 15.9 65 65 A V B -P 58 0E 25 -7,-0.2 -7,-0.3 -3,-0.1 103,-0.1 -0.864 22.7-111.8-112.1 149.3 95.4 5.9 15.4 66 66 A A - 0 0 0 -9,-4.4 2,-0.4 -2,-0.3 169,-0.2 -0.360 13.5-140.7 -82.7 159.1 97.6 3.6 17.4 67 67 A S E +D 234 0A 44 167,-1.7 167,-2.6 100,-0.1 2,-0.3 -0.901 29.1 179.3-112.1 143.1 100.2 4.3 20.1 68 68 A F E -DE 233 166A 10 98,-1.4 98,-2.9 -2,-0.4 2,-0.4 -0.978 22.1-159.6-146.6 160.2 103.3 2.2 20.0 69 69 A E E -DE 232 165A 58 163,-2.3 163,-1.6 -2,-0.3 2,-0.4 -0.996 13.0-179.9-138.2 133.2 106.6 1.7 21.8 70 70 A T E -DE 231 164A 0 94,-2.8 94,-2.9 -2,-0.4 2,-0.4 -0.997 3.8-173.2-137.0 142.3 109.7 -0.2 20.3 71 71 A R E +DE 230 163A 70 159,-2.1 159,-2.7 -2,-0.4 2,-0.3 -0.993 13.0 158.7-133.6 140.5 113.1 -0.8 21.9 72 72 A F E -DE 229 162A 5 90,-1.7 90,-2.6 -2,-0.4 2,-0.4 -0.990 29.2-135.5-157.0 159.6 116.2 -2.3 20.2 73 73 A S E +DE 228 161A 19 155,-1.3 154,-2.7 -2,-0.3 155,-1.0 -0.959 27.0 174.2-119.1 140.1 119.9 -2.6 20.6 74 74 A F E -DE 226 160A 1 86,-1.6 86,-2.0 -2,-0.4 2,-0.3 -0.880 17.3-150.0-138.3 170.9 122.3 -2.2 17.7 75 75 A S E -D 225 0A 17 150,-2.2 150,-2.3 -2,-0.3 2,-0.5 -0.979 3.7-168.0-147.8 132.3 126.0 -2.0 17.0 76 76 A I - 0 0 1 82,-0.4 81,-2.5 -2,-0.3 2,-0.5 -0.972 8.1-167.8-121.9 113.2 127.9 -0.3 14.3 77 77 A R - 0 0 102 -2,-0.5 146,-1.7 79,-0.2 79,-0.1 -0.898 3.9-163.0-103.8 128.0 131.6 -1.2 14.0 78 78 A Q + 0 0 39 -2,-0.5 144,-0.1 144,-0.2 78,-0.1 -0.811 14.4 171.9-112.7 90.2 133.7 1.1 11.8 79 79 A P S S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 143,-0.1 0.823 71.7 53.6 -64.7 -35.3 137.0 -0.7 10.9 80 80 A F - 0 0 57 141,-0.4 141,-0.2 139,-0.2 4,-0.2 -0.780 59.9-179.8-111.5 93.2 138.1 1.9 8.4 81 81 A P + 0 0 108 0, 0.0 -1,-0.2 0, 0.0 138,-0.0 0.877 57.1 84.3 -53.9 -45.9 138.2 5.4 9.9 82 82 A R S S+ 0 0 65 2,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.868 91.9 9.0-112.4 144.9 139.4 7.1 6.6 83 83 A P S S- 0 0 55 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 -0.946 121.2 -62.8 -74.5 -34.4 138.1 8.1 4.1 84 84 A H - 0 0 64 -4,-0.2 -2,-0.1 -2,-0.1 127,-0.1 -0.608 35.9-122.6 174.5 124.1 134.6 7.7 5.5 85 85 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 135,-0.1 -0.237 44.0-117.5 -66.4 157.5 132.2 5.1 6.9 86 86 A A - 0 0 2 133,-0.1 125,-0.8 40,-0.1 136,-0.2 -0.965 38.4 -32.5-166.2 153.4 128.7 4.7 5.3 87 87 A D E -J 210 0B 7 123,-0.4 38,-2.1 -2,-0.3 39,-1.1 -0.951 54.9-138.2-119.3 -18.5 125.8 4.8 5.4 88 88 A G E -JK 209 124B 0 121,-1.1 121,-1.7 36,-0.2 2,-0.3 -0.652 18.6 -93.8 126.8 175.3 123.8 3.9 8.5 89 89 A L E -JK 208 123B 0 34,-1.2 34,-2.7 119,-0.2 2,-0.3 -0.862 27.9-160.3-128.1 161.5 120.7 2.0 9.6 90 90 A V E -JK 207 122B 0 117,-2.7 117,-1.6 -2,-0.3 2,-0.5 -0.978 18.9-135.7-142.6 152.6 117.1 3.0 10.2 91 91 A F E -JK 206 121B 4 30,-2.8 30,-2.5 -2,-0.3 2,-0.3 -0.918 42.8-178.8-101.0 134.5 114.0 1.8 12.0 92 92 A F E -JK 205 120B 0 113,-2.8 113,-2.1 -2,-0.5 2,-0.4 -0.980 34.0-153.4-145.6 157.1 111.0 2.2 9.7 93 93 A I E +JK 204 119B 4 26,-3.1 26,-1.9 -2,-0.3 111,-0.2 -0.977 34.5 153.2-120.2 129.8 107.3 1.8 9.1 94 94 A A E -J 203 0B 0 109,-2.1 109,-2.4 -2,-0.4 24,-0.2 -0.891 47.7 -69.2-148.4 177.4 106.0 1.4 5.6 95 95 A P - 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