==== 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 16-DEC-98 1WBF . COMPND 2 MOLECULE: PROTEIN (AGGLUTININ); . SOURCE 2 ORGANISM_SCIENTIFIC: PSOPHOCARPUS TETRAGONOLOBUS; . AUTHOR N.MANOJ,V.R.SRINIVAS,K.SUGUNA . 474 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 62.7 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 . 194 40.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 38 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 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 . 2 8 0 2 4 6 4 4 2 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 . 4 0 0 0 0 2 2 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,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 136.2 22.6 9.2 8.6 2 2 A T E -A 234 0A 103 232,-0.2 2,-0.3 2,-0.0 232,-0.2 -0.918 360.0-167.9-124.0 102.2 20.9 5.9 7.9 3 3 A I E +A 233 0A 40 230,-1.5 230,-2.2 -2,-0.5 2,-0.3 -0.723 14.8 167.8 -89.8 141.6 19.7 4.0 10.9 4 4 A S E +A 232 0A 70 -2,-0.3 2,-0.3 228,-0.2 228,-0.2 -0.993 11.4 168.2-151.2 150.0 18.5 0.4 10.5 5 5 A F E -A 231 0A 15 226,-1.9 226,-2.3 -2,-0.3 2,-0.4 -0.973 10.4-164.0-159.3 149.3 17.6 -2.7 12.5 6 6 A N E -A 230 0A 94 -2,-0.3 2,-0.5 224,-0.2 224,-0.3 -0.998 9.3-172.0-145.4 136.0 16.0 -6.0 11.9 7 7 A F E +A 229 0A 6 222,-1.8 222,-2.2 -2,-0.4 3,-0.2 -0.963 5.1 180.0-126.6 107.5 14.5 -8.7 14.1 8 8 A N S S- 0 0 134 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.692 85.3 -11.4 -76.4 -20.9 13.5 -11.9 12.2 9 9 A Q S S- 0 0 100 220,-0.1 -1,-0.4 -3,-0.1 2,-0.2 -0.904 81.4-108.9-169.6 152.4 12.4 -13.2 15.6 10 10 A F - 0 0 0 19,-1.9 2,-0.3 217,-0.3 -3,-0.0 -0.540 26.4-157.4 -93.5 156.5 12.8 -11.9 19.1 11 11 A H > - 0 0 104 -2,-0.2 3,-1.1 18,-0.0 2,-0.2 -0.905 28.4 -97.3-126.4 159.0 15.0 -13.4 21.8 12 12 A Q T 3 S+ 0 0 117 -2,-0.3 14,-0.0 1,-0.2 12,-0.0 -0.540 109.9 23.3 -76.7 143.2 14.9 -13.2 25.6 13 13 A N T 3 S+ 0 0 101 1,-0.2 -1,-0.2 -2,-0.2 4,-0.0 0.516 82.5 176.3 78.8 7.7 17.3 -10.6 27.0 14 14 A E X - 0 0 47 -3,-1.1 3,-0.9 1,-0.1 -1,-0.2 -0.209 20.3-155.4 -48.0 119.1 17.4 -8.7 23.7 15 15 A E T 3 S+ 0 0 178 1,-0.2 -1,-0.1 3,-0.1 -2,-0.0 0.834 86.2 57.6 -68.5 -40.2 19.6 -5.6 24.3 16 16 A Q T 3 S+ 0 0 79 35,-0.1 36,-2.0 36,-0.1 2,-0.4 0.315 98.0 75.9 -76.2 5.5 18.1 -3.4 21.6 17 17 A L E < -H 51 0B 12 -3,-0.9 2,-0.5 34,-0.3 34,-0.2 -0.932 59.9-158.2-122.6 150.0 14.6 -3.7 23.0 18 18 A K E -H 50 0B 102 32,-2.4 32,-2.3 -2,-0.4 2,-0.3 -0.960 13.3-160.7-126.8 107.1 12.9 -2.0 25.9 19 19 A L E -H 49 0B 67 -2,-0.5 2,-0.3 30,-0.2 30,-0.2 -0.676 8.7-166.9 -88.9 145.6 9.8 -3.8 27.2 20 20 A Q E > -H 48 0B 28 28,-2.4 28,-1.9 -2,-0.3 3,-1.4 -0.996 48.0 -21.5-135.3 144.4 7.3 -2.0 29.4 21 21 A R E 3 S-H 47 0B 146 -2,-0.3 26,-0.2 1,-0.2 13,-0.1 -0.441 128.2 -8.4 61.5-127.8 4.4 -3.1 31.6 22 22 A D T 3 S+ 0 0 47 24,-2.2 -1,-0.2 -2,-0.2 25,-0.2 0.642 100.1 119.7 -77.8 -14.3 3.1 -6.5 30.7 23 23 A A < + 0 0 10 -3,-1.4 2,-0.3 23,-0.2 10,-0.2 -0.217 34.8 158.4 -55.2 137.8 5.1 -7.0 27.5 24 24 A R E -B 32 0A 123 8,-2.2 8,-2.4 10,-0.2 2,-0.5 -0.973 41.0-114.3-155.8 159.8 7.5 -10.0 27.6 25 25 A I E -B 31 0A 15 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.901 32.9-140.7-104.9 124.2 9.3 -12.2 25.1 26 26 A S > - 0 0 15 4,-2.6 3,-1.8 -2,-0.5 4,-0.1 -0.352 25.3-107.1 -77.6 166.1 8.2 -15.8 25.1 27 27 A S T 3 S+ 0 0 112 1,-0.3 -15,-0.1 2,-0.1 -1,-0.1 0.798 117.5 64.9 -62.5 -29.0 10.4 -18.9 24.7 28 28 A N T 3 S- 0 0 77 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.444 120.0-106.0 -74.9 -1.0 9.1 -19.3 21.1 29 29 A S S < S+ 0 0 10 -3,-1.8 -19,-1.9 1,-0.3 2,-0.4 0.720 77.9 133.5 82.3 19.4 10.6 -16.0 20.0 30 30 A V - 0 0 37 -21,-0.2 -4,-2.6 -4,-0.1 2,-0.7 -0.888 54.4-134.5-105.3 134.5 7.3 -14.2 19.9 31 31 A L E -BC 25 226A 0 195,-2.3 195,-2.4 -2,-0.4 2,-0.8 -0.798 18.2-163.5 -89.3 111.8 6.8 -10.7 21.5 32 32 A E E -BC 24 225A 26 -8,-2.4 -8,-2.2 -2,-0.7 193,-0.2 -0.905 6.9-171.8-100.0 110.2 3.6 -10.7 23.5 33 33 A L S S+ 0 0 0 191,-1.9 2,-0.2 -2,-0.8 175,-0.2 0.829 72.6 33.4 -68.6 -37.8 2.7 -7.1 24.2 34 34 A T S S- 0 0 1 190,-0.4 2,-0.3 -3,-0.1 -10,-0.2 -0.624 102.6 -72.2-113.4 175.3 -0.1 -8.1 26.6 35 35 A K + 0 0 79 7,-0.2 7,-2.4 -2,-0.2 2,-0.4 -0.553 40.2 172.9 -78.4 130.6 -0.6 -10.9 29.0 36 36 A V E -N 41 0C 23 -2,-0.3 2,-0.7 5,-0.3 3,-0.2 -0.991 14.8-159.4-132.9 115.8 -1.3 -14.5 28.1 37 37 A V E > S-N 40 0C 80 3,-2.4 3,-1.8 -2,-0.4 -2,-0.0 -0.897 74.5 -32.5-100.7 110.5 -1.4 -17.2 30.8 38 38 A N T 3 S- 0 0 169 -2,-0.7 -1,-0.2 1,-0.3 0, 0.0 0.927 128.8 -39.8 46.7 57.0 -0.8 -20.7 29.5 39 39 A G T 3 S+ 0 0 46 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.287 117.2 103.1 80.9 -8.7 -2.6 -19.9 26.2 40 40 A V E < -N 37 0C 70 -3,-1.8 -3,-2.4 182,-0.0 2,-0.1 -0.925 65.6-135.3-113.0 119.0 -5.5 -17.7 27.4 41 41 A P E -N 36 0C 5 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.474 22.3-140.1 -67.9 144.1 -5.3 -13.9 26.9 42 42 A T - 0 0 29 -7,-2.4 -7,-0.2 -2,-0.1 180,-0.2 -0.830 5.6-126.0-111.6 148.2 -6.3 -11.9 30.0 43 43 A W S S+ 0 0 86 -2,-0.3 169,-0.2 175,-0.2 178,-0.1 -0.073 87.5 47.9 -71.3-174.9 -8.3 -8.6 30.2 44 44 A N S S+ 0 0 80 167,-2.8 2,-0.3 1,-0.2 -1,-0.2 0.895 84.4 131.1 45.9 50.9 -6.9 -5.6 32.1 45 45 A S + 0 0 1 166,-0.3 165,-2.4 165,-0.2 59,-0.3 -0.962 29.6 173.0-133.4 150.4 -3.5 -5.7 30.4 46 46 A T E + I 0 209B 9 -2,-0.3 -24,-2.2 163,-0.2 2,-0.3 -0.970 8.3 167.4-154.2 138.3 -1.3 -3.1 28.6 47 47 A G E -HI 21 208B 0 161,-1.9 161,-2.1 -2,-0.3 2,-0.3 -0.988 12.7-164.3-156.8 152.2 2.2 -3.4 27.3 48 48 A R E -HI 20 207B 0 -28,-1.9 -28,-2.4 -2,-0.3 2,-0.4 -0.943 4.7-160.4-136.5 158.2 4.7 -1.6 25.1 49 49 A A E -HI 19 206B 0 157,-2.2 157,-2.3 -2,-0.3 2,-0.3 -0.991 15.1-176.4-141.1 128.0 8.0 -2.4 23.3 50 50 A L E -HI 18 205B 2 -32,-2.3 -32,-2.4 -2,-0.4 2,-0.3 -0.922 35.8-108.1-127.7 151.5 10.5 0.2 22.1 51 51 A Y E -H 17 0B 20 153,-2.3 153,-0.3 -2,-0.3 -34,-0.3 -0.633 39.2-127.8 -72.5 131.3 13.8 0.2 20.3 52 52 A A S S+ 0 0 49 -36,-2.0 -1,-0.1 -2,-0.3 -35,-0.1 0.546 87.2 59.3 -62.0 -8.6 16.3 1.1 23.1 53 53 A K S S- 0 0 119 -37,-0.3 151,-0.3 151,-0.1 -2,-0.1 -0.923 84.3-120.3-122.7 142.3 17.9 4.0 21.1 54 54 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 149,-0.2 -0.448 21.5-142.5 -78.8 159.9 16.2 7.1 19.8 55 55 A V E -O 202 0D 5 147,-1.7 147,-2.3 -2,-0.1 2,-0.8 -0.894 18.3-117.9-117.9 150.0 16.3 7.9 16.1 56 56 A Q E -O 201 0D 90 -2,-0.3 145,-0.2 145,-0.2 -53,-0.1 -0.823 28.7-179.0 -90.5 108.5 16.6 11.5 14.8 57 57 A V - 0 0 8 143,-1.6 9,-2.9 -2,-0.8 2,-0.3 0.760 66.2 -5.5 -78.3 -27.9 13.5 12.2 12.8 58 58 A W B -P 65 0E 42 142,-1.2 2,-0.4 7,-0.3 7,-0.2 -0.974 63.5-122.5-158.2 167.6 14.5 15.7 11.7 59 59 A D > - 0 0 22 5,-2.2 4,-2.1 -2,-0.3 5,-0.2 -0.978 3.4-163.1-122.3 131.1 17.2 18.4 12.1 60 60 A S T 4 S+ 0 0 72 -2,-0.4 -1,-0.1 2,-0.2 0, 0.0 0.871 93.9 59.0 -74.4 -38.1 16.7 22.0 13.4 61 61 A T T 4 S+ 0 0 127 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.922 124.4 17.4 -54.1 -52.3 20.1 23.0 12.0 62 62 A T T 4 S- 0 0 66 175,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.717 92.8-129.7 -95.9 -31.3 19.2 22.0 8.4 63 63 A G < + 0 0 30 -4,-2.1 2,-0.3 1,-0.3 -3,-0.1 0.526 58.7 143.1 88.8 5.5 15.4 21.8 8.4 64 64 A N - 0 0 66 173,-0.3 -5,-2.2 -5,-0.2 2,-0.4 -0.593 39.0-151.7 -82.4 137.9 15.6 18.3 6.8 65 65 A V B -P 58 0E 23 -2,-0.3 -7,-0.3 -7,-0.2 103,-0.1 -0.959 20.7-118.0-113.3 130.6 13.1 15.6 7.8 66 66 A A - 0 0 3 -9,-2.9 2,-0.3 -2,-0.4 169,-0.2 -0.206 15.5-138.6 -66.0 148.9 14.0 11.9 7.6 67 67 A S E -D 234 0A 34 167,-2.0 167,-2.4 100,-0.1 2,-0.3 -0.773 27.9-176.7-102.2 153.6 12.3 9.3 5.4 68 68 A F E -DE 233 166A 13 98,-1.9 98,-2.6 -2,-0.3 2,-0.4 -0.987 22.0-161.9-151.7 159.0 11.6 5.8 6.9 69 69 A E E -DE 232 165A 62 163,-2.6 163,-2.1 -2,-0.3 2,-0.4 -0.986 12.9-178.3-142.3 134.1 10.2 2.4 6.2 70 70 A T E -DE 231 164A 1 94,-2.2 94,-2.3 -2,-0.4 2,-0.4 -0.988 3.4-172.7-134.2 143.7 9.1 -0.2 8.7 71 71 A R E +DE 230 163A 122 159,-2.0 159,-2.3 -2,-0.4 2,-0.3 -0.999 14.5 152.3-137.7 139.2 7.8 -3.7 8.3 72 72 A F E -DE 229 162A 3 90,-1.8 90,-2.7 -2,-0.4 2,-0.4 -0.983 30.0-138.8-159.5 158.7 6.4 -6.2 10.8 73 73 A S E -DE 228 161A 16 155,-1.2 154,-2.8 -2,-0.3 155,-0.8 -0.965 24.8-179.8-122.4 143.4 4.0 -9.1 11.2 74 74 A F E -DE 226 160A 0 86,-1.7 86,-2.1 -2,-0.4 2,-0.3 -0.842 17.1-144.0-134.9 173.4 1.6 -9.5 14.0 75 75 A S E -D 225 0A 14 150,-2.3 150,-2.6 -2,-0.3 2,-0.5 -0.987 8.5-173.5-144.3 128.8 -1.0 -11.9 15.2 76 76 A I - 0 0 0 79,-0.4 81,-2.3 82,-0.4 2,-0.5 -0.968 8.7-171.4-123.9 110.5 -4.3 -11.2 17.0 77 77 A R - 0 0 93 -2,-0.5 146,-1.7 79,-0.3 79,-0.1 -0.921 6.9-161.3-105.4 123.4 -6.2 -14.3 18.2 78 78 A Q + 0 0 35 -2,-0.5 144,-0.1 144,-0.2 78,-0.1 -0.780 17.0 169.0-108.5 88.8 -9.6 -13.7 19.6 79 79 A P S S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.876 70.8 55.1 -63.5 -44.6 -10.7 -16.7 21.7 80 80 A F - 0 0 59 141,-0.3 141,-0.3 1,-0.2 4,-0.3 -0.724 63.5-178.4 -98.3 89.2 -13.8 -15.2 23.2 81 81 A P + 0 0 106 0, 0.0 -1,-0.2 0, 0.0 139,-0.0 0.721 51.9 100.9 -56.7 -28.6 -16.0 -14.1 20.2 82 82 A R S S- 0 0 62 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.965 85.7 -3.7-124.7 148.2 -18.6 -12.7 22.6 83 83 A P S S- 0 0 56 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 -0.971 121.8 -54.2 -79.5 -21.8 -19.4 -10.2 23.8 84 84 A H - 0 0 75 135,-0.4 -2,-0.1 -4,-0.3 42,-0.1 -0.635 44.1-126.0 178.3 118.2 -16.6 -8.2 22.0 85 85 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 137,-0.1 -0.239 43.1-111.5 -65.2 163.9 -12.8 -8.6 21.9 86 86 A A - 0 0 1 40,-0.1 125,-0.8 125,-0.1 136,-0.2 -0.969 38.0 -28.8-169.6 157.2 -10.5 -5.6 22.8 87 87 A D E -J 210 0B 3 123,-0.4 38,-1.8 -2,-0.3 39,-0.9 -0.889 54.5-135.8-113.9 -33.2 -8.7 -3.4 22.4 88 88 A G E -JK 209 124B 0 121,-1.5 121,-1.9 36,-0.2 2,-0.3 -0.845 14.2 -98.8 142.3 178.0 -6.0 -3.4 19.8 89 89 A L E -JK 208 123B 0 34,-1.8 34,-2.5 -2,-0.2 2,-0.3 -0.894 26.6-162.8-130.9 163.0 -2.3 -2.6 19.0 90 90 A V E -JK 207 122B 0 117,-2.3 117,-1.9 -2,-0.3 2,-0.5 -0.992 20.6-135.8-146.6 150.1 -0.5 0.3 17.5 91 91 A F E -JK 206 121B 4 30,-2.2 30,-2.4 -2,-0.3 2,-0.3 -0.894 43.1-174.7 -96.6 136.6 2.9 1.2 15.9 92 92 A F E -JK 205 120B 0 113,-2.5 113,-1.5 -2,-0.5 2,-0.4 -0.972 33.6-159.1-144.3 156.2 3.9 4.6 17.4 93 93 A I E +JK 204 119B 6 26,-2.6 26,-2.5 -2,-0.3 111,-0.2 -0.998 33.1 153.2-125.8 126.5 6.5 7.4 17.3 94 94 A A E -J 203 0B 0 109,-1.7 109,-2.4 -2,-0.4 24,-0.2 -0.947 49.4 -76.1-149.4 163.7 6.6 9.6 20.4 95 95 A P - 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