==== 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 18-DEC-06 2E53 . 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) . 37669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 65.7 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 . 398 42.0 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 . 98 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.1 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 4 8 12 6 10 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 0 100 0, 0.0 234,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 100.8 93.1 -4.8 20.1 2 2 A T E -A 234 0A 100 232,-0.2 2,-0.4 234,-0.1 232,-0.2 -0.989 360.0-177.6-129.1 132.7 96.7 -5.3 21.2 3 3 A I E +A 233 0A 58 230,-2.1 230,-2.4 -2,-0.4 2,-0.3 -0.980 14.1 156.4-128.7 140.5 99.5 -6.8 19.3 4 4 A S E -A 232 0A 76 -2,-0.4 2,-0.3 228,-0.2 228,-0.2 -0.992 14.7-179.6-160.9 156.8 103.0 -7.5 20.5 5 5 A F E -A 231 0A 23 226,-2.1 226,-2.4 -2,-0.3 2,-0.3 -0.977 9.5-155.7-154.3 159.0 106.1 -9.5 20.0 6 6 A N E -A 230 0A 95 -2,-0.3 2,-0.5 224,-0.2 224,-0.2 -0.993 5.5-170.4-144.8 136.2 109.5 -9.9 21.6 7 7 A F E +A 229 0A 14 222,-2.0 222,-2.1 -2,-0.3 3,-0.1 -0.939 7.3 178.4-126.5 104.7 112.8 -11.2 20.3 8 8 A N S S- 0 0 107 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.783 82.6 -17.0 -74.2 -22.3 115.5 -11.6 22.9 9 9 A Q S S- 0 0 90 -3,-0.1 2,-0.4 220,-0.1 -1,-0.2 -0.916 77.1-104.9-165.4 174.2 117.7 -12.9 20.0 10 10 A F - 0 0 1 19,-2.2 2,-0.3 -2,-0.3 19,-0.1 -0.945 23.8-155.7-121.0 138.8 117.2 -14.2 16.5 11 11 A H > - 0 0 106 -2,-0.4 3,-0.5 1,-0.1 16,-0.1 -0.732 39.5 -77.6-107.8 158.3 117.3 -17.8 15.2 12 12 A Q T 3 S- 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 14,-0.1 -0.225 111.6 -5.1 -52.7 138.8 118.0 -19.1 11.7 13 13 A N T 3 S- 0 0 145 1,-0.1 2,-0.3 12,-0.1 -1,-0.2 0.894 83.8-162.5 31.3 75.1 115.0 -18.8 9.5 14 14 A E X - 0 0 52 -3,-0.5 3,-0.7 1,-0.1 -1,-0.1 -0.634 18.3-138.0 -79.9 137.0 112.6 -17.5 12.1 15 15 A E T 3 S+ 0 0 182 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.802 99.7 60.9 -67.6 -28.4 109.0 -17.9 11.0 16 16 A Q T 3 S+ 0 0 69 35,-0.1 36,-3.7 36,-0.1 37,-0.3 0.634 97.5 67.9 -74.6 -18.0 108.1 -14.4 12.4 17 17 A L E < -H 51 0B 15 -3,-0.7 2,-0.5 34,-0.2 34,-0.2 -0.775 61.4-152.3-110.8 154.2 110.5 -12.5 10.2 18 18 A K E -H 50 0B 107 32,-2.4 32,-2.4 -2,-0.3 2,-0.4 -0.986 19.5-160.7-118.4 112.7 110.7 -11.7 6.5 19 19 A L E -H 49 0B 63 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.829 8.2-166.5 -98.2 136.4 114.3 -11.2 5.5 20 20 A Q E > -H 48 0B 39 28,-2.5 3,-1.8 -2,-0.4 28,-1.5 -0.951 47.4 -27.1-127.3 146.0 115.0 -9.3 2.2 21 21 A R E 3 S-H 47 0B 155 -2,-0.4 26,-0.2 1,-0.3 13,-0.0 -0.318 128.9 -5.1 57.0-128.0 118.0 -8.9 0.0 22 22 A D T 3 S+ 0 0 41 24,-2.4 -1,-0.3 11,-0.1 25,-0.2 0.577 97.6 123.3 -74.1 -11.5 121.3 -9.1 2.1 23 23 A A < + 0 0 8 -3,-1.8 2,-0.3 23,-0.2 10,-0.2 -0.236 34.3 161.6 -55.4 132.6 119.6 -9.4 5.5 24 24 A R E -B 32 0A 123 8,-2.3 8,-2.7 10,-0.1 2,-0.6 -0.996 38.4-123.4-153.1 153.7 120.6 -12.6 7.3 25 25 A I E -B 31 0A 9 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.880 31.4-134.2-100.6 124.1 120.7 -14.0 10.8 26 26 A S > - 0 0 2 4,-2.7 3,-1.5 -2,-0.6 -16,-0.1 -0.291 21.8-110.7 -74.9 161.9 124.1 -15.1 12.1 27 27 A S T 3 S+ 0 0 107 1,-0.3 -15,-0.1 2,-0.1 -1,-0.1 0.797 117.3 59.2 -61.9 -28.5 124.7 -18.4 13.9 28 28 A N T 3 S- 0 0 126 2,-0.1 -1,-0.3 -17,-0.1 -2,-0.1 0.080 124.1 -98.7 -91.8 27.1 125.3 -16.5 17.1 29 29 A S S < S+ 0 0 13 -3,-1.5 -19,-2.2 1,-0.2 2,-0.3 0.495 77.0 128.7 77.8 7.9 121.9 -14.9 17.1 30 30 A V - 0 0 17 -21,-0.1 -4,-2.7 195,-0.0 2,-0.9 -0.731 56.5-126.6-101.9 149.3 122.2 -11.4 15.6 31 31 A L E -BC 25 226A 0 195,-2.8 195,-2.9 -2,-0.3 2,-0.9 -0.817 23.6-164.3 -90.3 106.8 120.3 -9.9 12.8 32 32 A E E -BC 24 225A 18 -8,-2.7 -8,-2.3 -2,-0.9 193,-0.2 -0.823 8.1-175.1 -95.4 105.2 122.8 -8.6 10.3 33 33 A L + 0 0 0 191,-2.3 2,-0.3 -2,-0.9 175,-0.2 0.911 69.2 42.4 -66.4 -41.9 120.9 -6.2 8.0 34 34 A T S S- 0 0 2 190,-0.4 190,-0.3 -11,-0.1 -10,-0.1 -0.785 100.1 -82.5-112.8 154.9 123.9 -5.7 5.7 35 35 A K + 0 0 99 -2,-0.3 7,-1.9 188,-0.1 2,-0.4 -0.180 41.4 175.2 -54.1 127.7 126.6 -8.0 4.3 36 36 A V E -N 41 0C 21 5,-0.2 2,-0.5 -4,-0.1 3,-0.3 -0.954 9.4-166.5-137.4 113.1 129.5 -9.0 6.4 37 37 A V E > S-N 40 0C 68 3,-2.7 3,-1.1 -2,-0.4 -2,-0.0 -0.912 72.2 -15.2-107.9 121.9 132.0 -11.5 5.0 38 38 A N T 3 S- 0 0 166 -2,-0.5 -1,-0.2 1,-0.3 0, 0.0 0.929 131.6 -49.1 55.6 48.4 134.6 -13.2 7.3 39 39 A G T 3 S+ 0 0 49 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.0 0.575 119.8 108.7 70.4 10.0 134.0 -10.5 10.0 40 40 A V E < -N 37 0C 62 -3,-1.1 -3,-2.7 182,-0.0 2,-0.2 -0.970 65.1-133.0-124.2 126.3 134.3 -7.7 7.5 41 41 A P E -N 36 0C 3 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.513 23.9-149.3 -74.9 141.9 131.4 -5.5 6.2 42 42 A T - 0 0 35 -7,-1.9 180,-0.3 -2,-0.2 3,-0.3 -0.692 10.0-118.5-109.1 162.7 131.3 -4.9 2.5 43 43 A W S S+ 0 0 52 -2,-0.2 169,-0.2 1,-0.2 -1,-0.1 -0.207 89.5 48.8 -85.6-176.7 130.0 -2.0 0.5 44 44 A N S S+ 0 0 96 167,-3.4 2,-0.4 176,-0.3 -1,-0.2 0.838 83.2 138.4 53.3 38.4 127.2 -2.1 -2.0 45 45 A S + 0 0 1 -3,-0.3 165,-2.4 166,-0.2 2,-0.3 -0.933 26.2 170.6-120.5 141.8 124.9 -3.9 0.5 46 46 A T E + I 0 209B 11 -2,-0.4 -24,-2.4 163,-0.2 2,-0.3 -0.991 8.0 161.1-146.3 135.2 121.3 -3.4 1.3 47 47 A G E -HI 21 208B 0 161,-1.8 161,-1.9 -2,-0.3 2,-0.3 -0.994 13.9-167.0-157.4 150.9 119.0 -5.5 3.5 48 48 A R E -HI 20 207B 0 -28,-1.5 -28,-2.5 -2,-0.3 2,-0.4 -0.919 7.5-157.6-136.8 161.1 115.7 -5.3 5.4 49 49 A A E -HI 19 206B 0 157,-2.2 157,-2.2 -2,-0.3 2,-0.3 -0.965 14.8-173.2-143.5 120.9 113.8 -7.3 8.0 50 50 A L E -HI 18 205B 6 -32,-2.4 -32,-2.4 -2,-0.4 2,-0.3 -0.873 33.7-108.7-116.1 148.9 110.1 -7.1 8.4 51 51 A Y E -H 17 0B 16 153,-2.4 153,-0.2 -2,-0.3 -34,-0.2 -0.617 36.6-127.6 -72.1 132.3 107.8 -8.6 11.0 52 52 A A S S+ 0 0 21 -36,-3.7 -1,-0.1 -2,-0.3 -35,-0.1 0.776 86.1 61.8 -56.4 -32.7 105.9 -11.3 9.0 53 53 A K S S- 0 0 122 -37,-0.3 151,-0.3 151,-0.0 -2,-0.1 -0.783 85.1-117.2-103.9 142.8 102.4 -10.2 10.0 54 54 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.373 24.7-146.4 -71.7 150.1 100.8 -6.8 9.2 55 55 A V E -O 202 0D 3 147,-2.6 147,-2.5 -2,-0.1 2,-0.7 -0.930 12.4-126.4-118.3 144.5 99.8 -4.5 12.1 56 56 A Q E +O 201 0D 87 -2,-0.4 145,-0.2 145,-0.2 144,-0.1 -0.820 26.7 175.2 -91.6 115.3 96.7 -2.2 12.1 57 57 A V + 0 0 4 143,-2.1 9,-4.4 -2,-0.7 2,-0.3 0.690 68.9 5.8 -90.8 -22.4 97.8 1.3 13.0 58 58 A W B -P 65 0E 11 142,-1.1 2,-0.5 7,-0.3 -1,-0.3 -0.991 64.3-130.3-157.0 159.5 94.4 2.9 12.4 59 59 A D > - 0 0 30 5,-2.1 4,-3.1 -2,-0.3 5,-0.4 -0.960 3.1-157.0-121.3 117.9 90.8 1.9 11.7 60 60 A S T 4 S+ 0 0 10 -2,-0.5 -1,-0.1 1,-0.2 784,-0.0 0.728 94.0 57.2 -59.6 -27.0 88.8 3.6 9.0 61 61 A T T 4 S+ 0 0 86 785,-0.1 786,-0.4 1,-0.1 -1,-0.2 0.917 121.6 21.8 -73.1 -47.2 85.5 2.7 10.7 62 62 A T T 4 S- 0 0 61 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.687 94.8-130.7 -95.0 -23.3 86.2 4.3 14.1 63 63 A G < + 0 0 21 -4,-3.1 -3,-0.1 1,-0.3 2,-0.1 0.427 58.2 145.1 84.5 -1.6 88.8 6.9 13.0 64 64 A N - 0 0 64 -5,-0.4 -5,-2.1 -6,-0.0 2,-0.4 -0.394 38.5-148.8 -72.5 145.9 91.0 5.8 15.8 65 65 A V B -P 58 0E 25 -7,-0.2 -7,-0.3 -2,-0.1 103,-0.1 -0.909 18.6-117.1-115.9 143.5 94.8 5.6 15.6 66 66 A A - 0 0 1 -9,-4.4 2,-0.3 -2,-0.4 169,-0.2 -0.381 15.0-143.4 -79.2 155.3 97.0 3.2 17.4 67 67 A S E +D 234 0A 39 167,-1.8 167,-2.6 100,-0.1 2,-0.3 -0.854 28.1 179.4-110.3 148.7 99.6 4.0 20.0 68 68 A F E -DE 233 166A 9 98,-1.7 98,-3.1 -2,-0.3 2,-0.3 -0.974 23.2-159.8-150.4 166.4 102.8 1.9 20.0 69 69 A E E -DE 232 165A 57 163,-2.4 163,-2.1 -2,-0.3 2,-0.4 -0.988 11.2-178.2-146.6 134.9 106.2 1.4 21.6 70 70 A T E -DE 231 164A 0 94,-2.7 94,-3.0 -2,-0.3 2,-0.4 -0.998 3.0-171.5-138.2 141.5 109.1 -0.4 20.2 71 71 A R E +DE 230 163A 74 159,-2.2 159,-2.9 -2,-0.4 2,-0.3 -0.991 14.3 157.7-131.9 140.7 112.5 -1.1 21.8 72 72 A F E -DE 229 162A 5 90,-1.7 90,-2.9 -2,-0.4 2,-0.4 -0.985 30.0-135.3-157.9 164.0 115.6 -2.5 20.2 73 73 A S E +DE 228 161A 18 155,-1.5 154,-2.8 -2,-0.3 155,-1.0 -0.979 26.9 172.7-123.9 137.5 119.3 -2.8 20.5 74 74 A F E -DE 226 160A 1 86,-1.7 86,-2.1 -2,-0.4 2,-0.3 -0.880 17.6-149.4-138.5 170.4 121.7 -2.4 17.6 75 75 A S E -DE 225 159A 17 150,-2.0 150,-2.4 -2,-0.3 2,-0.5 -0.988 3.9-167.6-147.1 134.0 125.4 -2.2 17.0 76 76 A I - 0 0 1 82,-0.5 81,-2.8 79,-0.4 2,-0.5 -0.979 7.0-171.7-124.9 113.9 127.3 -0.3 14.3 77 77 A R - 0 0 96 -2,-0.5 146,-2.0 79,-0.2 79,-0.1 -0.934 6.0-163.6-107.0 129.1 131.0 -1.2 13.9 78 78 A Q + 0 0 36 -2,-0.5 144,-0.1 144,-0.2 78,-0.1 -0.846 12.0 174.9-116.5 90.9 133.0 1.0 11.6 79 79 A P S S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 143,-0.1 0.817 71.9 52.7 -62.6 -38.1 136.3 -0.8 10.8 80 80 A F - 0 0 65 141,-0.3 141,-0.3 139,-0.2 4,-0.1 -0.869 61.5-177.0-109.8 103.5 137.5 1.7 8.2 81 81 A P + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 138,-0.0 0.790 53.1 98.5 -66.4 -30.2 137.5 5.3 9.6 82 82 A R S S- 0 0 203 2,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.916 87.5 -2.8-118.0 143.3 138.6 6.9 6.3 83 83 A P S S- 0 0 63 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 -0.957 121.0 -48.1 -84.5 -27.2 137.3 8.2 4.1 84 84 A H - 0 0 64 -4,-0.1 -2,-0.1 -2,-0.1 127,-0.1 -0.755 41.5-128.6-174.2 123.6 133.7 7.8 5.4 85 85 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.355 44.2-115.0 -69.7 156.3 131.5 5.0 6.8 86 86 A A - 0 0 1 133,-0.2 125,-0.7 40,-0.1 136,-0.2 -0.978 39.3 -31.9-161.6 155.2 128.1 4.6 5.2 87 87 A D E -J 210 0B 6 123,-0.4 38,-2.2 -2,-0.3 39,-1.1 -0.914 55.0-139.7-115.8 -27.0 125.2 4.6 5.2 88 88 A G E -JK 209 124B 0 121,-1.3 121,-1.7 36,-0.2 2,-0.3 -0.786 18.1 -94.7 133.5-176.8 123.2 3.9 8.3 89 89 A L E -JK 208 123B 0 34,-1.7 34,-2.4 -2,-0.2 2,-0.3 -0.940 25.3-160.2-138.6 159.6 120.0 2.0 9.4 90 90 A V E -JK 207 122B 0 117,-2.9 117,-1.6 -2,-0.3 2,-0.5 -0.936 19.4-138.4-138.9 160.4 116.4 2.8 10.1 91 91 A F E -JK 206 121B 4 30,-1.9 30,-2.3 -2,-0.3 2,-0.3 -0.970 43.1-178.7-110.5 130.1 113.3 1.5 11.8 92 92 A F E -JK 205 120B 0 113,-3.2 113,-2.0 -2,-0.5 2,-0.4 -0.939 32.7-152.5-140.1 162.8 110.4 2.0 9.5 93 93 A I E +JK 204 119B 2 26,-2.3 26,-1.8 -2,-0.3 111,-0.2 -0.995 33.7 151.7-128.2 130.0 106.7 1.6 9.0 94 94 A A E -J 203 0B 0 109,-1.9 109,-2.9 -2,-0.4 24,-0.2 -0.940 49.7 -70.6-152.5 170.5 105.3 1.1 5.5 95 95 A P > - 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