==== 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 LECTIN 04-APR-97 1WBL . COMPND 2 MOLECULE: WINGED BEAN LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSOPHOCARPUS TETRAGONOLOBUS; . AUTHOR M.M.PRABU,R.SANKARANARAYANAN,K.D.PURI,V.SHARMA,A.SUROLIA,M.V . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 64.7 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 . 392 41.4 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 . 63 6.6 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 . 5 0.5 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 17 0 4 8 13 5 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 . 9 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 97 0, 0.0 234,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.5 93.3 -4.4 19.9 2 2 A T E -A 234 0A 101 232,-0.2 2,-0.4 2,-0.0 232,-0.2 -0.994 360.0-173.7-129.9 132.4 96.8 -4.8 21.2 3 3 A I E +A 233 0A 48 230,-2.4 230,-2.6 -2,-0.4 2,-0.3 -0.984 13.9 156.0-127.2 137.2 99.8 -6.3 19.4 4 4 A S E +A 232 0A 81 -2,-0.4 2,-0.3 228,-0.2 228,-0.2 -0.991 11.1 171.9-158.3 151.5 103.2 -7.1 20.8 5 5 A F E -A 231 0A 19 226,-2.1 226,-2.6 -2,-0.3 2,-0.3 -0.943 14.4-150.3-152.1 165.3 106.3 -9.3 20.3 6 6 A N E -A 230 0A 90 -2,-0.3 2,-0.6 224,-0.2 224,-0.3 -0.978 6.1-165.4-148.8 132.5 109.8 -9.6 21.7 7 7 A F E +A 229 0A 12 222,-2.4 222,-2.4 -2,-0.3 3,-0.2 -0.960 7.7 177.6-119.5 106.0 113.1 -10.7 20.4 8 8 A N S S- 0 0 115 -2,-0.6 2,-0.3 1,-0.5 -1,-0.1 0.622 82.8 -20.4 -76.7 -20.5 115.6 -11.3 23.1 9 9 A Q S S- 0 0 92 220,-0.1 -1,-0.5 -3,-0.1 2,-0.3 -0.823 79.1-103.7-179.2 153.0 117.9 -12.5 20.3 10 10 A F - 0 0 0 19,-2.0 2,-0.3 -2,-0.3 -3,-0.0 -0.656 26.0-149.9 -94.4 144.1 117.3 -13.7 16.8 11 11 A H > - 0 0 109 -2,-0.3 3,-0.7 1,-0.1 16,-0.1 -0.784 37.3 -84.8-108.5 156.0 117.5 -17.3 15.7 12 12 A Q T 3 S+ 0 0 100 -2,-0.3 14,-0.1 1,-0.2 -1,-0.1 -0.390 113.7 7.1 -60.1 137.9 118.5 -18.5 12.2 13 13 A N T 3 S- 0 0 140 1,-0.2 2,-0.5 12,-0.1 -1,-0.2 0.949 83.5-163.0 48.9 59.6 115.4 -18.5 9.9 14 14 A E X - 0 0 40 -3,-0.7 3,-1.3 1,-0.2 -1,-0.2 -0.607 10.9-151.3 -71.1 118.2 113.1 -16.8 12.4 15 15 A E T 3 S+ 0 0 92 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.724 92.3 62.5 -64.4 -24.3 109.6 -17.5 11.1 16 16 A Q T 3 S+ 0 0 64 35,-0.1 36,-3.4 36,-0.1 37,-0.3 0.506 99.8 63.9 -79.0 -10.2 108.4 -14.2 12.6 17 17 A L E < -H 51 0B 11 -3,-1.3 2,-0.5 34,-0.3 34,-0.2 -0.818 66.7-146.6-117.8 158.7 110.7 -12.1 10.5 18 18 A K E -H 50 0B 84 32,-2.6 32,-2.2 -2,-0.3 2,-0.3 -0.959 18.2-161.3-125.3 104.4 111.0 -11.4 6.8 19 19 A L E -H 49 0B 63 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.684 8.8-169.1 -86.8 144.7 114.5 -10.8 5.7 20 20 A Q E > -H 48 0B 23 28,-2.7 28,-1.9 -2,-0.3 3,-1.5 -0.983 47.3 -21.8-136.0 147.2 115.2 -9.1 2.4 21 21 A R E 3 S-H 47 0B 149 -2,-0.4 26,-0.2 1,-0.2 13,-0.0 -0.269 127.5 -7.8 57.4-132.8 118.2 -8.5 0.3 22 22 A D T 3 S+ 0 0 56 24,-2.7 -1,-0.2 13,-0.0 25,-0.2 0.613 99.3 119.7 -71.4 -16.2 121.5 -8.8 2.2 23 23 A A < + 0 0 9 -3,-1.5 2,-0.3 23,-0.2 10,-0.3 -0.207 35.5 159.6 -54.3 135.7 120.0 -9.1 5.7 24 24 A R E -B 32 0A 116 8,-2.7 8,-2.8 10,-0.1 2,-0.5 -0.952 39.4-120.9-151.5 167.8 120.8 -12.3 7.5 25 25 A I E -B 31 0A 5 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.968 31.2-140.8-119.0 114.3 120.9 -13.7 11.1 26 26 A S > - 0 0 8 4,-2.0 3,-1.5 -2,-0.5 4,-0.2 -0.204 26.3-106.2 -70.1 166.6 124.2 -15.0 12.2 27 27 A S T 3 S+ 0 0 107 1,-0.3 -15,-0.1 2,-0.2 -1,-0.1 0.776 117.2 68.7 -63.2 -26.6 124.8 -18.1 14.3 28 28 A N T 3 S- 0 0 151 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.219 120.3-105.6 -78.0 14.0 125.5 -15.8 17.2 29 29 A S S < S+ 0 0 15 -3,-1.5 -19,-2.0 1,-0.2 2,-0.3 0.716 77.8 131.1 70.4 23.6 121.9 -14.7 17.3 30 30 A V - 0 0 23 -4,-0.2 -4,-2.0 -21,-0.2 2,-0.7 -0.804 56.4-129.1-112.0 148.1 122.4 -11.3 15.8 31 31 A L E -BC 25 226A 0 195,-1.9 195,-2.3 -2,-0.3 2,-0.8 -0.883 20.8-168.5 -98.4 110.0 120.6 -9.6 12.9 32 32 A E E -BC 24 225A 22 -8,-2.8 -8,-2.7 -2,-0.7 193,-0.2 -0.892 7.2-177.4-101.1 103.6 123.0 -8.3 10.3 33 33 A L S S+ 0 0 0 191,-1.8 2,-0.3 -2,-0.8 -1,-0.2 0.910 72.1 44.3 -66.9 -42.9 121.1 -6.1 7.9 34 34 A T S S- 0 0 1 190,-0.4 190,-0.3 -11,-0.1 -10,-0.1 -0.826 100.0 -90.8-109.7 145.1 124.1 -5.4 5.8 35 35 A K + 0 0 107 -2,-0.3 7,-1.8 188,-0.1 2,-0.4 -0.074 36.6 178.4 -52.4 140.6 126.7 -7.9 4.6 36 36 A V E -N 41 0C 25 5,-0.3 2,-0.6 -4,-0.1 3,-0.3 -0.930 11.6-160.1-148.9 111.1 129.9 -8.6 6.5 37 37 A V E > S-N 40 0C 65 3,-2.4 3,-0.9 -2,-0.4 -2,-0.0 -0.916 73.2 -18.4-103.5 115.2 132.3 -11.2 5.1 38 38 A N T 3 S- 0 0 166 -2,-0.6 -1,-0.2 1,-0.3 0, 0.0 0.945 130.9 -46.1 57.9 52.6 134.7 -12.8 7.5 39 39 A G T 3 S+ 0 0 49 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.0 0.540 118.7 108.4 71.1 8.3 134.3 -10.0 10.1 40 40 A V E < -N 37 0C 58 -3,-0.9 -3,-2.4 182,-0.0 -1,-0.1 -0.962 67.1-129.9-124.3 121.6 134.6 -7.3 7.6 41 41 A P E -N 36 0C 5 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.426 25.6-144.1 -65.1 139.7 131.7 -5.1 6.5 42 42 A T - 0 0 40 -7,-1.8 180,-0.3 180,-0.1 3,-0.2 -0.691 7.0-126.5-104.2 157.3 131.3 -4.8 2.7 43 43 A W S S+ 0 0 45 -2,-0.2 169,-0.2 175,-0.2 178,-0.1 -0.267 87.8 50.3 -87.3-176.2 130.2 -1.8 0.6 44 44 A N S S+ 0 0 95 167,-3.8 2,-0.4 176,-0.2 -1,-0.2 0.921 84.3 137.5 51.8 49.0 127.4 -2.0 -1.8 45 45 A S + 0 0 2 -3,-0.2 165,-2.4 166,-0.1 59,-0.4 -0.981 27.1 169.6-131.4 145.8 125.0 -3.6 0.7 46 46 A T E + I 0 209B 7 -2,-0.4 -24,-2.7 163,-0.2 2,-0.3 -0.986 7.3 169.4-150.2 137.8 121.4 -3.2 1.6 47 47 A G E -HI 21 208B 0 161,-1.9 161,-2.2 -2,-0.3 2,-0.3 -0.994 10.8-167.0-151.9 151.9 119.2 -5.3 3.8 48 48 A R E -HI 20 207B 0 -28,-1.9 -28,-2.7 -2,-0.3 2,-0.4 -0.969 4.2-167.2-137.7 154.0 115.7 -5.2 5.4 49 49 A A E -HI 19 206B 0 157,-1.9 157,-1.9 -2,-0.3 2,-0.3 -0.979 12.4-177.8-143.8 122.5 114.0 -7.1 8.1 50 50 A L E -HI 18 205B 2 -32,-2.2 -32,-2.6 -2,-0.4 2,-0.4 -0.914 35.7-103.3-122.2 152.3 110.2 -6.8 8.6 51 51 A Y E -H 17 0B 14 153,-2.5 -34,-0.3 -2,-0.3 153,-0.2 -0.617 37.1-121.8 -73.9 130.5 108.0 -8.4 11.2 52 52 A A S S+ 0 0 36 -36,-3.4 -35,-0.1 -2,-0.4 -1,-0.1 0.722 90.0 56.2 -44.3 -37.2 106.0 -11.2 9.4 53 53 A K S S- 0 0 115 -37,-0.3 151,-0.3 151,-0.0 2,-0.1 -0.760 84.6-117.1-106.3 148.1 102.5 -9.8 10.2 54 54 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 149,-0.2 -0.494 25.7-146.1 -79.6 148.2 101.1 -6.4 9.5 55 55 A V E -O 202 0D 3 147,-2.2 147,-2.9 -2,-0.1 2,-0.7 -0.878 14.1-122.0-113.0 152.0 100.0 -4.2 12.3 56 56 A Q E +O 201 0D 84 -2,-0.3 145,-0.2 145,-0.2 144,-0.1 -0.844 26.3 177.2 -96.8 113.6 97.1 -1.8 12.3 57 57 A V - 0 0 2 143,-2.3 9,-3.4 -2,-0.7 2,-0.3 0.560 69.7 -0.6 -89.6 -12.5 98.1 1.8 13.0 58 58 A W E -P 65 0E 13 142,-0.9 2,-0.4 7,-0.3 7,-0.2 -0.978 60.1-132.5-167.5 164.1 94.6 3.3 12.6 59 59 A D E >> -P 64 0E 21 5,-1.5 4,-2.5 -2,-0.3 5,-0.7 -0.992 3.9-157.6-130.1 123.9 91.0 2.4 11.8 60 60 A S T 45S+ 0 0 6 -2,-0.4 -1,-0.1 2,-0.2 5,-0.0 0.835 91.9 62.4 -67.8 -34.1 89.0 4.3 9.3 61 61 A T T 45S+ 0 0 88 1,-0.2 786,-0.4 785,-0.1 -1,-0.2 0.921 124.2 16.4 -57.4 -49.3 85.7 3.2 10.8 62 62 A T T 45S- 0 0 73 175,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.664 97.9-128.8 -96.3 -24.1 86.4 4.9 14.2 63 63 A G T <5 + 0 0 20 -4,-2.5 2,-0.5 1,-0.3 -3,-0.2 0.707 55.5 152.6 78.8 20.7 89.2 7.2 13.0 64 64 A N E < -P 59 0E 58 -5,-0.7 -5,-1.5 173,-0.2 2,-0.3 -0.734 32.4-154.7 -89.8 128.5 91.4 5.9 15.9 65 65 A V E -P 58 0E 24 -2,-0.5 -7,-0.3 -7,-0.2 2,-0.1 -0.763 21.1-114.9-102.0 144.5 95.1 5.9 15.5 66 66 A A - 0 0 0 -9,-3.4 2,-0.3 -2,-0.3 169,-0.2 -0.441 14.4-142.4 -78.7 148.9 97.3 3.5 17.5 67 67 A S E -D 234 0A 42 167,-2.0 167,-2.9 -2,-0.1 2,-0.3 -0.814 29.1-177.8-104.0 147.1 99.9 4.4 20.1 68 68 A F E -DE 233 166A 11 98,-1.7 98,-2.6 -2,-0.3 2,-0.4 -0.994 24.8-162.0-149.5 160.5 103.1 2.3 20.2 69 69 A E E +DE 232 165A 59 163,-2.8 163,-1.6 -2,-0.3 2,-0.4 -0.993 13.8 177.4-142.4 129.3 106.4 1.7 21.9 70 70 A T E -DE 231 164A 0 94,-2.6 94,-3.1 -2,-0.4 2,-0.4 -0.992 5.3-171.3-136.1 140.3 109.4 -0.2 20.4 71 71 A R E +DE 230 163A 72 159,-2.2 159,-2.8 -2,-0.4 2,-0.3 -0.999 13.3 159.9-133.1 134.8 112.8 -0.8 21.9 72 72 A F E -DE 229 162A 3 90,-1.4 90,-2.7 -2,-0.4 2,-0.4 -0.986 28.8-136.4-151.8 157.9 115.8 -2.3 20.2 73 73 A S E -DE 228 161A 19 155,-1.4 154,-2.1 -2,-0.3 155,-1.0 -0.966 25.0-179.6-118.3 133.9 119.6 -2.5 20.6 74 74 A F E -DE 226 160A 1 86,-1.5 86,-2.3 -2,-0.4 2,-0.3 -0.774 16.1-152.4-126.2 171.8 122.0 -2.0 17.7 75 75 A S E -DE 225 159A 13 150,-1.9 150,-2.9 -2,-0.3 2,-0.5 -0.951 5.3-170.5-147.8 123.5 125.7 -2.0 17.1 76 76 A I - 0 0 0 82,-0.6 81,-2.9 79,-0.4 2,-0.6 -0.979 6.2-168.9-117.8 111.1 127.5 -0.1 14.4 77 77 A R - 0 0 99 -2,-0.5 146,-1.7 79,-0.3 79,-0.1 -0.926 4.1-164.5-104.0 115.7 131.2 -1.1 14.1 78 78 A Q + 0 0 35 -2,-0.6 144,-0.1 144,-0.2 78,-0.1 -0.789 14.5 171.3-102.3 88.3 133.1 1.3 11.8 79 79 A P + 0 0 47 0, 0.0 -1,-0.2 0, 0.0 143,-0.1 0.854 69.8 46.5 -64.0 -43.9 136.4 -0.6 11.0 80 80 A F + 0 0 65 141,-0.4 141,-0.3 139,-0.2 4,-0.3 -0.856 61.1 164.8-108.9 99.2 137.8 1.8 8.3 81 81 A P + 0 0 83 0, 0.0 -1,-0.2 0, 0.0 138,-0.0 0.766 54.5 85.9 -81.2 -30.4 137.5 5.4 9.6 82 82 A R S S+ 0 0 219 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.886 97.7 24.8 -41.9 -68.0 139.8 7.0 7.1 83 83 A P S S- 0 0 40 0, 0.0 137,-0.1 0, 0.0 -1,-0.1 0.971 121.6 -70.2 -65.0 -82.7 137.6 7.7 4.1 84 84 A H - 0 0 71 -4,-0.3 -2,-0.1 135,-0.2 127,-0.1 -0.644 38.5-123.0-179.7 114.8 134.1 7.9 5.5 85 85 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 135,-0.1 -0.267 42.3-124.4 -60.7 151.1 131.7 5.3 6.9 86 86 A A - 0 0 2 133,-0.1 125,-0.8 40,-0.1 136,-0.2 -0.962 37.1 -30.3-160.3 150.8 128.3 5.0 5.3 87 87 A D E -J 210 0B 6 123,-0.4 38,-1.9 -2,-0.3 39,-1.2 -0.901 54.8-138.7-120.7 -29.7 125.4 5.0 5.4 88 88 A G E -JK 209 124B 0 121,-1.3 121,-1.9 36,-0.2 2,-0.3 -0.866 18.2 -89.8 139.4-174.9 123.3 4.0 8.4 89 89 A L E -JK 208 123B 0 34,-1.2 34,-2.6 -2,-0.3 2,-0.3 -0.904 27.6-160.0-133.8 161.8 120.2 2.2 9.6 90 90 A V E -JK 207 122B 0 117,-2.3 117,-1.5 -2,-0.3 2,-0.5 -0.973 18.5-137.4-141.8 150.6 116.6 3.2 10.2 91 91 A F E -JK 206 121B 3 30,-2.7 30,-2.8 -2,-0.3 2,-0.4 -0.954 43.2-179.1-101.8 133.4 113.6 1.9 12.0 92 92 A F E -JK 205 120B 0 113,-3.0 113,-1.7 -2,-0.5 2,-0.5 -0.983 34.5-153.6-144.5 153.3 110.7 2.3 9.7 93 93 A I E +JK 204 119B 3 26,-3.0 26,-1.9 -2,-0.4 111,-0.2 -0.979 32.8 161.9-117.5 129.6 107.0 1.8 9.3 94 94 A A E -J 203 0B 0 109,-2.1 109,-2.4 -2,-0.5 24,-0.2 -0.885 45.7 -76.8-142.2 170.5 105.8 1.3 5.7 95 95 A P > - 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