==== 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-JUL-06 2DTW . 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) . 36977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 615 64.9 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 . 98 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 6.9 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 0 103 0, 0.0 234,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.1 93.1 -4.7 20.3 2 2 A T E -A 234 0A 95 232,-0.2 2,-0.4 234,-0.0 232,-0.2 -0.969 360.0-174.6-126.7 140.2 96.7 -5.2 21.3 3 3 A I E +A 233 0A 42 230,-2.4 230,-2.8 -2,-0.4 2,-0.3 -0.986 13.9 155.9-132.7 142.0 99.6 -6.7 19.4 4 4 A S E -A 232 0A 76 -2,-0.4 2,-0.3 228,-0.2 228,-0.2 -0.990 14.9-178.0-162.9 157.0 103.1 -7.4 20.6 5 5 A F E -A 231 0A 14 226,-2.2 226,-2.8 -2,-0.3 2,-0.4 -0.983 9.8-154.6-154.9 154.7 106.2 -9.5 20.1 6 6 A N E -A 230 0A 93 -2,-0.3 2,-0.4 224,-0.2 224,-0.3 -0.993 6.8-170.1-138.7 144.2 109.6 -9.9 21.6 7 7 A F E +A 229 0A 8 222,-1.2 222,-2.3 -2,-0.4 3,-0.1 -0.908 9.5 176.2-134.8 103.2 113.0 -11.1 20.4 8 8 A N S S- 0 0 110 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.732 83.6 -16.5 -74.3 -22.6 115.6 -11.6 23.1 9 9 A Q S S- 0 0 88 220,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.933 75.2-105.2-165.1 177.3 117.7 -12.9 20.2 10 10 A F - 0 0 0 19,-1.8 2,-0.3 -2,-0.3 -3,-0.0 -0.945 23.8-163.8-123.3 140.2 117.3 -14.2 16.6 11 11 A H > - 0 0 104 -2,-0.4 3,-1.1 1,-0.1 16,-0.1 -0.778 36.4 -85.2-116.1 162.8 117.5 -17.7 15.2 12 12 A Q T 3 S+ 0 0 92 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 -0.342 111.8 12.4 -64.9 146.8 117.9 -19.0 11.7 13 13 A N T 3 S- 0 0 157 1,-0.2 -1,-0.2 12,-0.1 2,-0.2 0.792 80.3-173.3 55.2 32.9 114.7 -19.4 9.7 14 14 A E X - 0 0 41 -3,-1.1 3,-1.1 1,-0.2 -1,-0.2 -0.419 15.4-151.2 -56.5 119.9 112.7 -17.4 12.3 15 15 A E T 3 S+ 0 0 175 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.678 90.3 61.9 -71.8 -16.8 109.2 -17.8 10.9 16 16 A Q T 3 S+ 0 0 64 36,-0.1 36,-4.0 35,-0.1 2,-0.3 0.579 98.0 69.1 -84.7 -10.0 108.1 -14.4 12.3 17 17 A L E < -H 51 0B 15 -3,-1.1 2,-0.6 34,-0.3 34,-0.2 -0.850 64.1-153.7-113.5 147.7 110.6 -12.5 10.2 18 18 A K E -H 50 0B 101 32,-2.8 32,-2.6 -2,-0.3 2,-0.3 -0.972 18.0-157.1-117.9 112.9 110.8 -11.9 6.5 19 19 A L E -H 49 0B 65 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.733 8.4-165.8 -92.2 139.4 114.3 -11.3 5.4 20 20 A Q E > -H 48 0B 13 28,-2.6 3,-1.8 -2,-0.3 28,-1.7 -0.963 48.5 -28.5-129.2 145.4 115.0 -9.3 2.2 21 21 A R E 3 S-H 47 0B 157 -2,-0.4 26,-0.2 1,-0.3 13,-0.0 -0.275 128.0 -5.3 55.5-128.9 118.1 -8.9 0.0 22 22 A D T 3 S+ 0 0 48 24,-2.4 -1,-0.3 11,-0.1 25,-0.2 0.549 98.2 122.0 -74.6 -7.9 121.3 -9.2 2.0 23 23 A A < + 0 0 8 -3,-1.8 2,-0.3 23,-0.2 10,-0.2 -0.314 35.1 158.4 -60.9 132.7 119.7 -9.5 5.5 24 24 A R E -B 32 0A 127 8,-2.4 8,-2.7 10,-0.1 2,-0.5 -0.981 40.7-117.8-151.4 161.7 120.6 -12.7 7.3 25 25 A I E -B 31 0A 10 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.910 31.8-138.2-105.7 123.9 120.7 -14.1 10.8 26 26 A S > - 0 0 5 4,-2.6 3,-1.3 -2,-0.5 -16,-0.1 -0.230 24.9-106.3 -75.0 168.6 124.2 -15.2 12.1 27 27 A S T 3 S+ 0 0 110 1,-0.3 -15,-0.1 2,-0.1 -1,-0.1 0.832 117.7 58.0 -65.4 -32.0 124.9 -18.4 14.0 28 28 A N T 3 S- 0 0 128 2,-0.1 -1,-0.3 -17,-0.1 -17,-0.1 0.066 123.6 -97.6 -90.0 28.5 125.3 -16.5 17.2 29 29 A S S < S+ 0 0 12 -3,-1.3 -19,-1.8 1,-0.2 2,-0.4 0.609 77.3 130.6 75.0 16.0 121.9 -15.0 17.1 30 30 A V - 0 0 15 -21,-0.1 -4,-2.6 195,-0.0 2,-0.9 -0.831 55.5-128.6-107.8 144.0 122.3 -11.5 15.6 31 31 A L E -BC 25 226A 0 195,-2.5 195,-2.6 -2,-0.4 2,-0.9 -0.773 23.1-163.0 -86.6 106.7 120.3 -10.0 12.8 32 32 A E E -BC 24 225A 24 -8,-2.7 -8,-2.4 -2,-0.9 193,-0.2 -0.824 8.5-174.6 -94.9 106.7 122.9 -8.7 10.3 33 33 A L + 0 0 0 191,-2.3 2,-0.3 -2,-0.9 175,-0.2 0.884 68.9 41.3 -68.1 -39.7 121.1 -6.3 8.0 34 34 A T S S- 0 0 1 190,-0.3 190,-0.3 -11,-0.1 -10,-0.1 -0.808 100.8 -80.0-115.3 155.9 124.1 -5.8 5.7 35 35 A K + 0 0 103 -2,-0.3 7,-2.1 188,-0.1 2,-0.4 -0.180 42.5 174.4 -54.3 129.0 126.7 -8.1 4.3 36 36 A V E -N 41 0C 24 5,-0.2 2,-0.5 -4,-0.1 3,-0.2 -0.952 8.7-168.8-138.6 113.2 129.6 -9.1 6.5 37 37 A V E > S-N 40 0C 74 3,-2.7 3,-0.9 -2,-0.4 -2,-0.0 -0.926 71.1 -15.6-112.3 120.8 132.1 -11.7 5.1 38 38 A N T 3 S- 0 0 168 -2,-0.5 -1,-0.2 1,-0.3 0, 0.0 0.936 131.4 -48.9 56.3 49.2 134.7 -13.3 7.4 39 39 A G T 3 S+ 0 0 51 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.0 0.607 119.1 110.5 68.8 13.0 134.1 -10.7 10.0 40 40 A V E < -N 37 0C 66 -3,-0.9 -3,-2.7 182,-0.0 -1,-0.2 -0.971 64.4-132.6-125.9 124.7 134.4 -7.8 7.5 41 41 A P E -N 36 0C 4 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.476 25.4-150.3 -71.9 142.4 131.6 -5.6 6.3 42 42 A T - 0 0 45 -7,-2.1 180,-0.3 -2,-0.2 3,-0.3 -0.739 8.5-119.5-113.5 161.0 131.4 -5.1 2.6 43 43 A W S S+ 0 0 47 -2,-0.3 169,-0.1 1,-0.2 178,-0.1 -0.211 88.0 47.4 -86.2-178.7 130.1 -2.2 0.4 44 44 A N S S+ 0 0 99 167,-3.0 2,-0.4 176,-0.3 -1,-0.2 0.853 84.0 137.3 53.9 38.7 127.3 -2.3 -2.1 45 45 A S + 0 0 1 -3,-0.3 165,-2.7 166,-0.2 2,-0.3 -0.934 27.0 170.9-120.9 143.4 125.0 -4.0 0.5 46 46 A T E + I 0 209B 10 -2,-0.4 -24,-2.4 163,-0.2 2,-0.3 -0.990 8.3 165.6-147.2 137.0 121.4 -3.5 1.3 47 47 A G E -HI 21 208B 0 161,-1.7 161,-1.9 -2,-0.3 2,-0.3 -0.997 13.2-166.0-155.3 152.6 119.1 -5.6 3.5 48 48 A R E -HI 20 207B 0 -28,-1.7 -28,-2.6 -2,-0.3 2,-0.4 -0.942 7.4-161.8-137.8 158.4 115.8 -5.5 5.4 49 49 A A E -HI 19 206B 0 157,-2.1 157,-2.4 -2,-0.3 2,-0.3 -0.951 15.8-174.6-143.1 116.0 113.9 -7.5 8.0 50 50 A L E -HI 18 205B 4 -32,-2.6 -32,-2.8 -2,-0.4 2,-0.3 -0.865 34.9-107.0-113.9 148.1 110.2 -7.1 8.4 51 51 A Y E -H 17 0B 14 153,-2.7 153,-0.3 -2,-0.3 -34,-0.3 -0.598 36.3-128.0 -69.3 129.1 107.9 -8.6 11.0 52 52 A A S S+ 0 0 48 -36,-4.0 -1,-0.1 -2,-0.3 -35,-0.1 0.818 86.2 62.4 -49.1 -41.7 106.0 -11.3 9.0 53 53 A K S S- 0 0 138 -37,-0.3 151,-0.3 1,-0.1 2,-0.1 -0.673 85.0-117.6 -96.1 145.7 102.6 -10.2 10.0 54 54 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.456 24.6-147.3 -75.6 147.7 100.9 -6.8 9.2 55 55 A V E -O 202 0D 2 147,-2.8 147,-2.6 -2,-0.1 2,-0.7 -0.937 12.3-127.4-118.8 142.0 99.9 -4.6 12.1 56 56 A Q E +O 201 0D 53 -2,-0.4 145,-0.2 145,-0.2 144,-0.1 -0.791 25.4 177.0 -90.1 114.0 96.9 -2.2 12.0 57 57 A V + 0 0 5 143,-2.1 9,-3.8 -2,-0.7 2,-0.3 0.643 68.1 6.9 -90.4 -17.3 98.0 1.3 12.9 58 58 A W B -P 65 0E 11 142,-1.1 2,-0.5 7,-0.3 -1,-0.2 -0.988 62.7-132.5-161.0 157.8 94.5 2.8 12.5 59 59 A D > - 0 0 24 5,-2.3 4,-2.8 -2,-0.3 5,-0.2 -0.961 2.9-159.5-118.5 122.9 90.9 2.0 11.8 60 60 A S T 4 S+ 0 0 13 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.698 92.0 59.7 -72.8 -18.1 88.8 3.8 9.2 61 61 A T T 4 S+ 0 0 84 785,-0.1 786,-0.4 1,-0.1 -1,-0.2 0.926 123.1 19.4 -75.3 -44.8 85.6 2.7 10.8 62 62 A T T 4 S- 0 0 70 2,-0.1 -2,-0.2 175,-0.1 -1,-0.1 0.704 95.6-132.1 -95.9 -25.2 86.3 4.4 14.1 63 63 A G < + 0 0 21 -4,-2.8 -3,-0.1 1,-0.3 132,-0.1 0.368 56.6 145.8 87.5 -5.6 88.9 6.8 13.0 64 64 A N - 0 0 66 -5,-0.2 -5,-2.3 172,-0.1 2,-0.4 -0.342 37.5-149.7 -68.0 142.7 91.1 5.8 15.9 65 65 A V B -P 58 0E 26 -7,-0.2 -7,-0.3 -3,-0.1 2,-0.1 -0.891 18.7-115.8-114.1 146.1 94.9 5.6 15.5 66 66 A A - 0 0 1 -9,-3.8 2,-0.4 -2,-0.4 169,-0.2 -0.428 14.6-144.2 -81.3 153.3 97.1 3.2 17.4 67 67 A S E +D 234 0A 38 167,-2.0 167,-2.9 -2,-0.1 2,-0.3 -0.851 28.3 179.2-108.4 148.1 99.8 4.1 20.0 68 68 A F E -DE 233 166A 11 98,-1.6 98,-3.1 -2,-0.4 2,-0.3 -0.981 22.9-157.8-151.0 165.1 102.9 2.0 20.0 69 69 A E E -DE 232 165A 61 163,-2.5 163,-2.2 -2,-0.3 2,-0.4 -0.996 11.5-178.1-142.2 138.8 106.2 1.4 21.6 70 70 A T E -DE 231 164A 1 94,-2.7 94,-3.0 -2,-0.3 2,-0.4 -0.997 3.4-172.8-143.9 137.4 109.2 -0.4 20.3 71 71 A R E +DE 230 163A 76 159,-1.9 159,-2.8 -2,-0.4 2,-0.3 -0.980 14.6 156.2-128.3 140.4 112.6 -1.2 21.8 72 72 A F E -DE 229 162A 4 90,-1.6 90,-2.7 -2,-0.4 2,-0.4 -0.983 30.3-134.4-158.2 160.8 115.7 -2.7 20.2 73 73 A S E +DE 228 161A 18 155,-1.4 154,-2.9 -2,-0.3 155,-0.9 -0.960 26.5 177.0-120.2 139.1 119.4 -2.8 20.5 74 74 A F E -DE 226 160A 1 86,-1.8 86,-2.3 -2,-0.4 2,-0.4 -0.897 16.6-150.9-137.1 167.2 121.8 -2.4 17.6 75 75 A S E -D 225 0A 17 150,-2.3 150,-2.4 -2,-0.3 2,-0.5 -0.990 3.9-168.7-143.1 133.2 125.5 -2.3 17.0 76 76 A I - 0 0 1 82,-0.5 81,-2.6 -2,-0.4 2,-0.5 -0.979 8.0-167.9-122.7 114.8 127.4 -0.5 14.3 77 77 A R - 0 0 90 -2,-0.5 146,-2.0 79,-0.2 79,-0.1 -0.914 3.4-165.6-105.5 128.4 131.0 -1.4 13.9 78 78 A Q + 0 0 38 -2,-0.5 144,-0.1 144,-0.2 78,-0.1 -0.829 14.5 169.5-116.6 91.0 133.1 0.9 11.7 79 79 A P + 0 0 45 0, 0.0 -1,-0.1 0, 0.0 143,-0.1 0.841 69.7 54.1 -68.7 -37.3 136.4 -0.9 10.9 80 80 A F + 0 0 66 141,-0.3 141,-0.3 139,-0.2 4,-0.1 -0.856 57.9 178.2-107.5 104.4 137.6 1.6 8.2 81 81 A P + 0 0 87 0, 0.0 -1,-0.1 0, 0.0 138,-0.0 0.753 50.3 103.9 -73.3 -25.2 137.6 5.2 9.4 82 82 A R S S- 0 0 177 2,-0.1 2,-0.1 1,-0.1 137,-0.0 -0.916 89.8 -5.6-112.7 136.9 138.9 6.6 6.1 83 83 A P S S- 0 0 43 0, 0.0 -1,-0.1 0, 0.0 137,-0.0 -0.926 121.6 -53.9 -83.3 -32.6 137.5 8.1 4.0 84 84 A H - 0 0 70 -2,-0.1 -2,-0.1 -4,-0.1 42,-0.1 -0.839 41.4-121.0-173.5 131.6 134.0 7.7 5.5 85 85 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.383 43.0-117.5 -73.7 155.8 131.6 5.0 6.8 86 86 A A - 0 0 2 133,-0.2 125,-0.6 40,-0.1 2,-0.1 -0.973 39.9 -29.0-158.0 156.0 128.2 4.5 5.2 87 87 A D E -J 210 0B 5 123,-0.4 38,-2.4 -2,-0.3 39,-1.2 -0.887 54.3-140.0-117.6 -26.3 125.3 4.5 5.2 88 88 A G E -JK 209 124B 0 121,-1.2 121,-1.8 36,-0.2 2,-0.3 -0.801 18.0 -95.8 134.3-176.1 123.3 3.7 8.4 89 89 A L E -JK 208 123B 0 34,-1.4 34,-2.5 -2,-0.2 2,-0.3 -0.937 26.5-162.4-138.9 159.8 120.2 1.9 9.5 90 90 A V E -JK 207 122B 0 117,-2.8 117,-1.6 -2,-0.3 2,-0.5 -0.955 20.4-136.2-142.7 160.9 116.5 2.7 10.2 91 91 A F E +JK 206 121B 4 30,-2.0 30,-2.4 -2,-0.3 2,-0.3 -0.955 42.8 179.4-109.0 132.5 113.4 1.4 11.9 92 92 A F E -JK 205 120B 0 113,-2.9 113,-1.9 -2,-0.5 2,-0.4 -0.955 33.0-151.3-142.8 163.6 110.5 1.9 9.6 93 93 A I E +JK 204 119B 4 26,-2.4 26,-2.0 -2,-0.3 111,-0.2 -0.999 33.6 154.3-128.7 128.6 106.8 1.5 9.0 94 94 A A E -J 203 0B 0 109,-2.1 109,-3.0 -2,-0.4 24,-0.2 -0.908 48.6 -70.1-148.5 172.1 105.5 1.1 5.5 95 95 A P > - 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