==== 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 2E51 . COMPND 2 MOLECULE: BASIC AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: PSOPHOCARPUS TETRAGONOLOBUS; . AUTHOR K.A.KULKARNI,S.KATIYAR,A.SUROLIA,M.VIJAYAN,K.SUGUNA . 947 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 608 64.2 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 . 385 40.7 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 . 92 9.7 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 . 6 0.6 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 5 9 10 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 0 102 0, 0.0 234,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.9 93.3 -4.6 20.3 2 2 A T E -A 234 0A 100 232,-0.2 2,-0.4 234,-0.1 232,-0.2 -0.991 360.0-174.1-131.6 130.2 97.0 -5.2 21.3 3 3 A I E +A 233 0A 55 230,-2.5 230,-2.8 -2,-0.4 2,-0.3 -0.974 15.2 159.9-123.2 135.8 99.8 -6.7 19.3 4 4 A S E +A 232 0A 80 -2,-0.4 2,-0.3 228,-0.2 228,-0.2 -0.988 14.3 178.2-156.2 147.9 103.2 -7.4 20.7 5 5 A F E -A 231 0A 20 226,-1.8 226,-2.5 -2,-0.3 2,-0.4 -0.973 10.3-157.0-144.1 155.5 106.4 -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 -0.999 5.4-171.1-138.5 140.9 109.8 -9.9 21.8 7 7 A F E +A 229 0A 19 222,-1.5 222,-2.5 -2,-0.4 3,-0.1 -0.914 8.6 178.0-133.0 103.4 113.1 -11.1 20.5 8 8 A N S S- 0 0 110 -2,-0.4 2,-0.3 220,-0.2 -1,-0.1 0.745 82.0 -18.1 -71.9 -25.1 115.8 -11.6 23.1 9 9 A Q S S- 0 0 93 220,-0.1 2,-0.4 -3,-0.1 21,-0.1 -0.893 77.9-100.5-162.7-178.6 118.0 -12.8 20.2 10 10 A F - 0 0 0 19,-1.8 2,-0.3 -2,-0.3 -3,-0.0 -0.963 24.2-160.5-125.4 139.8 117.5 -14.1 16.7 11 11 A H > - 0 0 105 -2,-0.4 3,-1.4 1,-0.1 16,-0.1 -0.830 32.8 -94.2-114.5 152.8 117.5 -17.7 15.2 12 12 A Q T 3 S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.303 109.7 14.5 -62.0 146.3 118.0 -18.9 11.7 13 13 A N T 3 S- 0 0 159 1,-0.2 -1,-0.3 12,-0.1 4,-0.0 0.643 82.9-179.1 63.2 15.2 114.9 -19.5 9.7 14 14 A E X - 0 0 49 -3,-1.4 3,-0.7 1,-0.2 -1,-0.2 -0.233 19.8-149.8 -45.9 125.3 112.9 -17.5 12.3 15 15 A E T 3 S+ 0 0 159 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.681 88.4 61.8 -78.2 -17.5 109.3 -17.7 11.0 16 16 A Q T 3 S+ 0 0 37 36,-0.1 36,-3.5 35,-0.1 37,-0.3 0.519 96.2 72.0 -87.4 -4.1 108.2 -14.3 12.4 17 17 A L E < -H 51 0B 15 -3,-0.7 2,-0.6 34,-0.3 34,-0.2 -0.845 64.5-151.7-114.3 150.1 110.8 -12.4 10.3 18 18 A K E -H 50 0B 102 32,-2.8 32,-2.8 -2,-0.3 2,-0.4 -0.968 17.2-160.1-120.2 109.5 111.0 -11.6 6.7 19 19 A L E -H 49 0B 59 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.777 8.4-169.8 -94.1 134.6 114.5 -11.1 5.5 20 20 A Q E > -H 48 0B 16 28,-2.6 28,-1.8 -2,-0.4 3,-1.6 -0.949 48.4 -24.6-127.6 147.0 115.2 -9.3 2.2 21 21 A R E 3 S-H 47 0B 137 -2,-0.4 26,-0.2 1,-0.2 13,-0.0 -0.304 127.2 -7.5 56.6-131.2 118.3 -8.8 0.1 22 22 A D T 3 S+ 0 0 33 24,-2.4 -1,-0.2 11,-0.1 25,-0.2 0.489 98.3 121.4 -76.5 -3.3 121.5 -9.2 2.1 23 23 A A < + 0 0 1 -3,-1.6 2,-0.3 23,-0.2 10,-0.2 -0.313 34.5 157.0 -64.3 139.4 120.0 -9.4 5.5 24 24 A R E -B 32 0A 124 8,-2.2 8,-2.6 10,-0.1 2,-0.5 -0.991 41.2-114.4-160.4 156.7 120.8 -12.6 7.5 25 25 A I E -B 31 0A 17 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.843 31.9-138.3 -98.9 124.1 121.0 -14.1 10.9 26 26 A S > - 0 0 15 4,-2.5 3,-1.4 -2,-0.5 -14,-0.1 -0.246 24.4-108.6 -74.7 166.8 124.4 -15.1 12.2 27 27 A S T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -15,-0.1 0.789 118.5 59.8 -68.1 -27.7 125.0 -18.3 14.1 28 28 A N T 3 S- 0 0 121 2,-0.1 -1,-0.3 -17,-0.0 -18,-0.1 0.157 124.1-101.8 -88.5 22.9 125.6 -16.4 17.3 29 29 A S S < S+ 0 0 12 -3,-1.4 -19,-1.8 1,-0.2 2,-0.4 0.633 74.7 133.4 74.5 18.2 122.1 -15.0 17.0 30 30 A V - 0 0 22 -21,-0.1 -4,-2.5 195,-0.0 2,-1.0 -0.822 55.2-127.2-105.9 145.0 122.5 -11.4 15.6 31 31 A L E -BC 25 226A 0 195,-2.3 195,-2.4 -2,-0.4 2,-0.9 -0.757 24.6-163.5 -84.9 102.8 120.5 -9.9 12.8 32 32 A E E -BC 24 225A 43 -8,-2.6 -8,-2.2 -2,-1.0 193,-0.2 -0.790 8.3-174.4 -92.2 107.3 123.1 -8.6 10.3 33 33 A L + 0 0 0 191,-2.1 2,-0.3 -2,-0.9 175,-0.2 0.909 68.9 40.1 -68.2 -42.1 121.3 -6.2 8.0 34 34 A T S S- 0 0 0 190,-0.3 190,-0.3 -11,-0.1 -10,-0.1 -0.820 100.8 -80.2-114.4 154.1 124.2 -5.7 5.7 35 35 A K + 0 0 90 -2,-0.3 7,-1.7 188,-0.1 2,-0.4 -0.092 40.5 178.6 -51.7 130.1 126.8 -8.1 4.3 36 36 A V E -N 41 0C 29 5,-0.2 2,-0.6 -4,-0.1 3,-0.2 -0.964 7.2-167.3-136.1 116.0 129.8 -9.1 6.5 37 37 A V E > S-N 40 0C 63 3,-2.7 3,-1.4 -2,-0.4 -2,-0.0 -0.925 72.5 -18.4-110.7 118.4 132.4 -11.5 5.0 38 38 A N T 3 S- 0 0 164 -2,-0.6 -1,-0.2 1,-0.3 0, 0.0 0.924 129.9 -49.0 57.2 46.3 134.9 -13.1 7.3 39 39 A G T 3 S+ 0 0 46 -3,-0.2 -1,-0.3 1,-0.2 -3,-0.0 0.518 119.6 110.1 73.4 4.5 134.4 -10.5 10.0 40 40 A V E < -N 37 0C 62 -3,-1.4 -3,-2.7 182,-0.0 -1,-0.2 -0.944 64.6-133.7-118.8 122.4 134.7 -7.7 7.5 41 41 A P E -N 36 0C 4 0, 0.0 2,-0.2 0, 0.0 -5,-0.2 -0.446 24.4-147.5 -71.0 144.4 131.8 -5.5 6.3 42 42 A T - 0 0 38 -7,-1.7 180,-0.3 180,-0.1 3,-0.3 -0.699 7.6-120.1-110.6 162.2 131.5 -4.9 2.6 43 43 A W S S+ 0 0 46 -2,-0.2 169,-0.2 1,-0.2 178,-0.1 -0.245 88.8 47.9 -88.1-179.6 130.3 -2.0 0.4 44 44 A N S S+ 0 0 98 167,-3.4 2,-0.4 176,-0.2 -1,-0.2 0.865 84.1 139.1 55.4 38.5 127.4 -2.2 -2.1 45 45 A S + 0 0 1 -3,-0.3 165,-2.5 166,-0.2 2,-0.3 -0.941 26.2 169.7-120.3 142.3 125.2 -3.9 0.5 46 46 A T E + I 0 209B 9 -2,-0.4 -24,-2.4 163,-0.2 2,-0.3 -0.993 7.6 163.9-146.6 136.8 121.5 -3.4 1.3 47 47 A G E -HI 21 208B 0 161,-1.8 161,-2.1 -2,-0.3 2,-0.3 -0.995 13.1-166.5-156.0 150.4 119.3 -5.5 3.5 48 48 A R E -HI 20 207B 0 -28,-1.8 -28,-2.6 -2,-0.3 2,-0.3 -0.921 6.0-161.9-135.5 159.3 115.9 -5.4 5.3 49 49 A A E -HI 19 206B 0 157,-2.4 157,-2.4 -2,-0.3 2,-0.3 -0.925 14.4-175.1-145.4 116.4 114.1 -7.4 8.0 50 50 A L E -HI 18 205B 5 -32,-2.8 -32,-2.8 -2,-0.3 2,-0.4 -0.823 34.8-106.6-112.9 153.5 110.3 -7.1 8.5 51 51 A Y E -H 17 0B 16 153,-2.4 -34,-0.3 -2,-0.3 153,-0.2 -0.634 36.2-129.0 -73.0 130.7 108.0 -8.6 11.0 52 52 A A S S+ 0 0 48 -36,-3.5 -1,-0.1 -2,-0.4 -35,-0.1 0.770 86.1 64.2 -54.8 -32.5 106.1 -11.3 9.1 53 53 A K S S- 0 0 109 -37,-0.3 151,-0.3 151,-0.1 -2,-0.1 -0.774 84.3-120.4-101.4 141.8 102.7 -10.1 10.1 54 54 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.413 24.5-145.8 -73.4 151.4 101.0 -6.8 9.3 55 55 A V E -O 202 0D 2 147,-2.8 147,-2.6 -2,-0.1 2,-0.7 -0.938 11.8-126.0-119.7 144.5 100.0 -4.5 12.1 56 56 A Q E +O 201 0D 86 -2,-0.4 145,-0.2 145,-0.2 144,-0.1 -0.803 26.9 175.4 -91.5 114.5 97.0 -2.2 12.1 57 57 A V + 0 0 2 143,-2.3 9,-4.0 -2,-0.7 2,-0.3 0.674 68.3 5.8 -91.0 -21.3 98.0 1.3 13.0 58 58 A W B -P 65 0E 11 142,-1.0 2,-0.5 7,-0.3 -1,-0.2 -0.990 63.5-132.4-156.7 160.8 94.6 2.9 12.5 59 59 A D > - 0 0 34 5,-2.4 4,-2.6 -2,-0.3 5,-0.3 -0.964 2.2-158.3-122.1 120.2 91.0 2.0 11.8 60 60 A S T 4 S+ 0 0 14 -2,-0.5 -1,-0.1 1,-0.2 786,-0.0 0.730 91.8 59.7 -66.6 -22.1 88.9 3.8 9.1 61 61 A T T 4 S+ 0 0 85 1,-0.1 785,-0.4 784,-0.1 -1,-0.2 0.943 122.3 18.8 -72.9 -49.1 85.7 2.7 10.8 62 62 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 783,-0.1 -1,-0.1 0.635 96.3-130.5 -95.4 -17.5 86.2 4.4 14.2 63 63 A G < + 0 0 21 -4,-2.6 -3,-0.1 1,-0.3 2,-0.1 0.404 57.1 147.0 82.3 -3.4 88.9 6.8 13.0 64 64 A N - 0 0 67 -5,-0.3 -5,-2.4 -6,-0.1 2,-0.3 -0.354 36.4-149.5 -70.5 144.0 91.1 5.7 15.9 65 65 A V B -P 58 0E 25 -7,-0.2 -7,-0.3 -3,-0.1 2,-0.1 -0.881 17.7-115.9-114.1 146.9 94.9 5.6 15.6 66 66 A A - 0 0 1 -9,-4.0 2,-0.3 -2,-0.3 169,-0.2 -0.433 13.6-145.3 -84.2 155.8 97.2 3.2 17.5 67 67 A S E -D 234 0A 37 167,-1.7 167,-2.7 -2,-0.1 2,-0.3 -0.833 27.0-178.8-109.3 149.4 99.8 4.1 20.0 68 68 A F E -DE 233 166A 13 98,-1.8 98,-2.8 -2,-0.3 2,-0.3 -0.980 21.7-159.8-150.3 165.2 103.0 2.0 20.0 69 69 A E E +DE 232 165A 61 163,-2.7 163,-2.0 -2,-0.3 2,-0.4 -0.988 12.1 179.9-145.1 131.5 106.3 1.4 21.7 70 70 A T E -DE 231 164A 0 94,-2.8 94,-3.0 -2,-0.3 2,-0.4 -0.999 4.3-172.3-139.6 138.7 109.3 -0.4 20.3 71 71 A R E +DE 230 163A 75 159,-2.0 159,-2.8 -2,-0.4 2,-0.3 -0.973 13.9 159.7-127.9 141.4 112.7 -1.0 21.9 72 72 A F E -DE 229 162A 4 90,-1.7 90,-2.8 -2,-0.4 2,-0.4 -0.988 29.2-135.9-158.8 158.8 115.8 -2.5 20.2 73 73 A S E +DE 228 161A 18 155,-1.5 154,-3.0 -2,-0.3 155,-1.0 -0.968 26.8 174.3-118.8 136.0 119.6 -2.8 20.6 74 74 A F E -DE 226 160A 0 86,-1.8 86,-2.3 -2,-0.4 2,-0.4 -0.889 17.5-150.8-136.8 168.3 121.9 -2.3 17.7 75 75 A S E -D 225 0A 16 150,-2.3 150,-2.4 -2,-0.3 2,-0.5 -0.991 4.0-168.5-143.5 132.6 125.6 -2.1 17.1 76 76 A I - 0 0 1 82,-0.5 81,-2.7 -2,-0.4 2,-0.5 -0.983 7.7-168.8-122.2 115.9 127.5 -0.3 14.3 77 77 A R - 0 0 91 -2,-0.5 146,-2.0 79,-0.2 79,-0.1 -0.924 4.8-164.2-107.2 128.1 131.2 -1.2 14.0 78 78 A Q + 0 0 37 -2,-0.5 144,-0.1 144,-0.2 78,-0.1 -0.792 15.2 169.5-114.1 89.0 133.3 1.1 11.7 79 79 A P + 0 0 47 0, 0.0 -1,-0.1 0, 0.0 143,-0.1 0.780 69.8 53.3 -69.3 -30.3 136.5 -0.7 11.0 80 80 A F + 0 0 64 141,-0.4 141,-0.3 139,-0.2 4,-0.1 -0.840 60.5 179.6-113.3 98.2 137.7 1.7 8.3 81 81 A P + 0 0 87 0, 0.0 -1,-0.1 0, 0.0 138,-0.0 0.772 50.3 101.1 -66.2 -27.4 137.7 5.3 9.5 82 82 A R S S- 0 0 180 2,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.935 89.5 -4.6-117.0 137.0 139.0 6.7 6.2 83 83 A P S S- 0 0 48 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 -0.922 121.4 -49.1 -80.8 -35.9 137.5 8.2 4.0 84 84 A H - 0 0 66 -2,-0.1 -2,-0.1 -4,-0.1 42,-0.1 -0.813 40.7-124.8-171.2 127.7 134.1 7.8 5.4 85 85 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.308 43.4-117.9 -68.6 154.7 131.7 5.1 6.8 86 86 A A - 0 0 1 133,-0.1 125,-0.6 40,-0.1 136,-0.1 -0.974 38.9 -31.2-160.8 153.9 128.3 4.6 5.2 87 87 A D E -J 210 0B 5 123,-0.4 38,-2.5 -2,-0.3 39,-1.0 -0.878 54.5-136.7-117.6 -28.9 125.4 4.6 5.3 88 88 A G E -JK 209 124B 0 121,-1.3 121,-1.6 36,-0.2 2,-0.3 -0.807 18.0 -95.5 137.8 179.9 123.4 3.9 8.4 89 89 A L E -JK 208 123B 0 34,-1.6 34,-2.5 -2,-0.2 2,-0.3 -0.920 27.2-162.7-133.8 158.6 120.3 2.0 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 19.8-138.4-140.4 161.7 116.7 2.8 10.1 91 91 A F E +JK 206 121B 4 30,-1.9 30,-2.5 -2,-0.3 2,-0.3 -0.970 41.4 178.1-111.8 129.6 113.6 1.5 11.8 92 92 A F E -JK 205 120B 1 113,-2.6 113,-1.8 -2,-0.5 2,-0.4 -0.948 33.2-150.4-140.7 164.4 110.6 2.0 9.5 93 93 A I E +JK 204 119B 3 26,-2.3 26,-2.0 -2,-0.3 111,-0.2 -0.997 34.2 155.5-128.1 128.2 106.9 1.5 9.0 94 94 A A E -J 203 0B 0 109,-2.0 109,-2.8 -2,-0.4 24,-0.2 -0.916 48.3 -73.4-147.9 170.6 105.6 1.1 5.5 95 95 A P > - 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