==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN (AGGLUTININ) 17-APR-95 1WGT . COMPND 2 MOLECULE: WHEAT GERM LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR K.HARATA,H.NAGAHORA,Y.JIGAMI . 342 2 32 32 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 62.6 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 . 70 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 25 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 8 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 . 23 8 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 ANTIPARALLEL BRIDGES PER LADDER . 1 7 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 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 X 0 0 76 0, 0.0 23,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -32.1 12.6 42.4 -10.6 2 2 A R - 0 0 79 4,-0.2 21,-0.2 21,-0.1 2,-0.2 -0.667 360.0-159.0 -95.8 153.0 13.5 45.3 -8.2 3 3 A a > + 0 0 0 19,-1.5 4,-0.8 -2,-0.3 3,-0.4 -0.568 49.6 14.7-120.0 178.5 11.0 46.8 -5.8 4 4 A G B >4>S-A 10 0A 4 6,-2.3 5,-1.8 3,-0.2 3,-1.4 -0.116 126.4 -13.8 59.6-149.8 10.7 50.2 -4.0 5 5 A E G >45S+ 0 0 161 1,-0.3 3,-1.5 3,-0.2 -1,-0.2 0.901 140.7 55.0 -48.5 -50.0 12.9 53.1 -5.0 6 6 A Q G 345S+ 0 0 57 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.671 115.9 35.4 -63.1 -21.1 15.1 50.7 -7.0 7 7 A G G X<5S- 0 0 0 -3,-1.4 3,-0.7 -4,-0.8 -1,-0.3 0.042 120.8 -98.2-123.3 30.8 12.1 49.4 -9.1 8 8 A S T < 5S- 0 0 87 -3,-1.5 -3,-0.2 -5,-0.2 -4,-0.1 0.959 84.1 -43.5 48.7 61.2 10.1 52.6 -9.3 9 9 A G T 3 - 0 0 0 4,-0.4 3,-0.5 -2,-0.3 170,-0.1 -0.548 34.5-105.7 -78.0 148.0 6.4 42.5 -3.9 13 13 A P G > S+ 0 0 29 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.188 96.4 15.9 -62.0 153.7 3.7 39.7 -4.1 14 14 A N G 3 S- 0 0 67 1,-0.3 25,-0.1 24,-0.1 -2,-0.0 0.728 128.2 -67.1 49.6 41.8 2.1 38.2 -0.9 15 15 A N G < S+ 0 0 1 -3,-0.5 24,-2.8 1,-0.2 -1,-0.3 0.550 82.3 165.4 50.8 26.4 3.2 41.1 1.3 16 16 A L < - 0 0 27 -3,-2.3 -4,-0.4 22,-0.2 2,-0.3 -0.184 41.4-107.1 -60.3 154.6 6.9 40.2 1.0 17 17 A c E -C 25 0C 0 8,-2.8 8,-2.0 21,-0.2 2,-0.7 -0.704 16.8-136.0 -95.2 142.3 9.0 43.0 2.2 18 18 A a E -CD 24 37C 0 19,-2.7 18,-3.8 -2,-0.3 19,-0.7 -0.873 28.6-141.8 -92.8 117.6 11.0 45.2 -0.0 19 19 A S > - 0 0 5 4,-2.8 3,-1.8 -2,-0.7 11,-0.1 -0.148 28.8 -96.5 -71.9 166.7 14.4 45.6 1.6 20 20 A Q T 3 S+ 0 0 66 13,-0.4 -14,-0.1 9,-0.3 -1,-0.1 0.691 123.8 56.6 -50.8 -22.9 16.4 48.8 1.6 21 21 A Y T 3 S- 0 0 141 2,-0.2 -1,-0.3 -16,-0.1 14,-0.1 0.338 120.4-101.2 -98.4 1.5 18.3 47.5 -1.4 22 22 A G S < S+ 0 0 0 -3,-1.8 -19,-1.5 1,-0.3 2,-0.4 0.727 80.2 121.5 88.8 22.7 15.4 46.8 -3.7 23 23 A Y - 0 0 117 -21,-0.2 -4,-2.8 -4,-0.0 2,-0.3 -0.924 55.6-124.9-119.0 150.6 14.9 43.1 -3.4 24 24 A b E +C 18 0C 31 -2,-0.4 2,-0.3 -23,-0.3 -6,-0.2 -0.687 50.8 103.1 -85.1 135.0 11.9 41.1 -2.2 25 25 A G E -C 17 0C 0 -8,-2.0 -8,-2.8 -2,-0.3 2,-0.3 -0.956 56.4 -96.5-179.7-162.1 11.9 38.5 0.7 26 26 A M B +E 327 0D 5 301,-1.8 301,-2.4 -2,-0.3 3,-0.2 -0.940 68.3 62.7-135.5 153.1 10.9 37.9 4.3 27 27 A G S >>>S- 0 0 4 -2,-0.3 4,-3.3 299,-0.3 3,-2.1 -0.370 98.6 -58.5 117.4 170.6 13.1 38.1 7.5 28 28 A G H 3>5S+ 0 0 20 297,-0.3 4,-1.5 1,-0.3 -1,-0.2 0.857 129.3 62.9 -57.0 -32.7 14.9 40.9 9.3 29 29 A D H 345S+ 0 0 98 -3,-0.2 -9,-0.3 1,-0.2 -1,-0.3 0.764 120.9 20.6 -69.0 -17.9 17.0 41.5 6.3 30 30 A Y H <45S+ 0 0 20 -3,-2.1 6,-0.2 -11,-0.1 -2,-0.2 0.746 132.4 38.6-112.5 -42.7 13.9 42.5 4.3 31 31 A c H <5S+ 0 0 0 -4,-3.3 10,-2.2 -14,-0.1 11,-0.5 0.754 106.9 68.4 -82.8 -23.0 11.3 43.4 6.8 32 32 A G S >< + 0 0 0 19,-0.7 4,-0.8 -2,-0.2 3,-0.5 -0.891 28.1 37.8-163.2 179.4 -0.3 57.2 6.7 47 47 A G B >4>S-G 53 0F 9 6,-2.1 5,-2.4 -2,-0.3 3,-1.1 -0.040 112.3 -21.7 66.1-154.0 -3.4 59.4 6.8 48 48 A S G >45S+ 0 0 95 1,-0.3 3,-0.9 3,-0.2 -1,-0.2 0.827 135.3 59.3 -61.1 -31.2 -3.7 62.8 8.4 49 49 A Q G 345S+ 0 0 88 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.818 111.1 41.5 -69.6 -27.7 -0.8 62.0 10.7 50 50 A A G X<5S- 0 0 26 -3,-1.1 3,-1.6 -4,-0.8 -1,-0.3 -0.273 124.5 -87.5-120.1 43.8 1.5 61.5 7.6 51 51 A G T < 5S- 0 0 80 -3,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.728 84.6 -55.0 69.0 25.9 0.5 64.3 5.2 52 52 A G T 3 - 0 0 7 4,-0.4 3,-0.7 -2,-0.2 4,-0.2 -0.692 33.3-118.2 -81.9 134.3 -0.3 52.8 2.6 56 56 A P G > S+ 0 0 27 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.154 93.8 25.8 -53.9 159.7 1.6 50.5 0.1 57 57 A N G 3 S- 0 0 2 1,-0.3 -42,-0.0 127,-0.1 -20,-0.0 0.705 126.8 -74.7 54.8 29.8 0.2 47.2 -0.9 58 58 A N G < S+ 0 0 9 -3,-0.7 -1,-0.3 1,-0.2 2,-0.2 0.839 82.9 160.0 60.5 33.4 -3.4 48.2 -0.3 59 59 A H < - 0 0 3 -3,-1.6 -4,-0.4 -4,-0.2 2,-0.3 -0.572 42.6-106.2 -83.5 151.8 -3.0 48.0 3.4 60 60 A g E -H 68 0G 0 8,-2.0 8,-2.3 -2,-0.2 2,-0.6 -0.614 21.9-135.1 -81.2 148.1 -5.5 49.9 5.6 61 61 A e E -HI 67 80G 2 19,-1.6 18,-2.6 -2,-0.3 19,-1.0 -0.913 23.5-143.3-102.2 116.0 -4.5 53.1 7.5 62 62 A S > - 0 0 4 4,-2.1 3,-1.9 -2,-0.6 11,-0.1 -0.096 29.2 -97.0 -70.9 174.3 -5.7 53.1 11.1 63 63 A Q T 3 S+ 0 0 89 9,-0.4 14,-0.1 13,-0.4 -1,-0.1 0.734 125.5 54.3 -66.8 -22.7 -7.0 56.0 13.1 64 64 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 -16,-0.0 -18,-0.1 0.381 121.0-106.4 -91.6 -0.6 -3.6 56.5 14.6 65 65 A G S < S+ 0 0 0 -3,-1.9 -19,-0.7 1,-0.3 2,-0.3 0.956 75.3 122.9 81.2 51.4 -1.9 56.7 11.1 66 66 A H B -F 45 0E 61 -21,-0.3 -4,-2.1 -4,-0.1 -1,-0.3 -0.985 56.0-117.7-141.8 149.7 -0.1 53.3 10.8 67 67 A f E +H 61 0G 1 -23,-2.0 2,-0.3 -2,-0.3 -6,-0.2 -0.584 54.7 92.1 -95.3 140.8 -0.5 50.7 8.0 68 68 A G E -H 60 0G 1 -8,-2.3 -8,-2.0 -2,-0.2 2,-0.3 -0.970 57.4 -90.1 176.1-159.2 -1.7 47.1 8.4 69 69 A F B +J 284 0H 7 215,-1.8 215,-1.6 -2,-0.3 3,-0.2 -0.934 65.5 62.1-138.3 167.0 -4.6 44.7 8.3 70 70 A G S >>>S- 0 0 9 -2,-0.3 4,-3.0 213,-0.2 3,-1.3 -0.398 96.7 -52.2 103.2 170.1 -7.1 43.4 10.9 71 71 A A H 3>5S+ 0 0 37 1,-0.3 4,-2.3 3,-0.2 -1,-0.2 0.897 131.0 55.3 -50.5 -47.0 -9.8 45.0 13.0 72 72 A E H 345S+ 0 0 91 1,-0.2 -9,-0.4 -3,-0.2 -1,-0.3 0.696 121.3 30.7 -65.1 -21.0 -7.6 47.7 14.6 73 73 A Y H <45S+ 0 0 10 -3,-1.3 -2,-0.2 -11,-0.1 -1,-0.2 0.852 130.6 29.4 -97.7 -56.5 -6.6 48.9 11.1 74 74 A g H <5S+ 0 0 5 -4,-3.0 10,-3.0 -14,-0.1 11,-0.5 0.667 114.3 64.1 -84.9 -18.9 -9.5 48.2 8.8 75 75 A G S ><> + 0 0 0 19,-1.7 4,-1.2 -2,-0.2 3,-0.7 -0.918 28.6 46.3-170.5 174.1 -17.2 59.3 -3.7 90 90 A G B 34>S-L 96 0J 2 6,-2.9 5,-2.0 -2,-0.3 6,-0.8 -0.189 107.8 -18.9 80.5-160.7 -18.5 61.0 -6.8 91 91 A S T >45S+ 0 0 94 3,-0.2 3,-0.7 1,-0.2 -1,-0.2 0.744 137.3 55.6 -57.6 -26.5 -21.4 63.4 -7.2 92 92 A Q T <45S+ 0 0 84 -3,-0.7 2,-0.9 1,-0.2 -2,-0.2 0.965 109.9 43.5 -71.2 -51.4 -22.7 62.2 -3.9 93 93 A A T ><5S- 0 0 25 -4,-1.2 3,-1.0 3,-0.2 -3,-0.3 -0.084 131.0 -87.1 -90.0 45.2 -19.5 63.0 -2.0 94 94 A G T < 5S- 0 0 54 -2,-0.9 -3,-0.2 -3,-0.7 -4,-0.1 0.940 84.6 -55.2 55.5 45.5 -18.9 66.4 -3.6 95 95 A G T 3 - 0 0 1 4,-0.4 3,-0.5 -2,-0.3 2,-0.1 -0.484 39.8-106.5 -71.9 152.0 -11.7 57.2 -4.6 99 99 A P G > S+ 0 0 57 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.428 95.0 15.9 -73.0 150.8 -8.2 56.5 -3.1 100 100 A N G 3 S- 0 0 24 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.820 129.2 -64.3 58.1 38.7 -5.6 54.3 -5.0 101 101 A N G < S+ 0 0 26 -3,-0.5 24,-1.9 1,-0.2 -1,-0.3 0.653 87.1 159.4 59.6 24.0 -7.4 54.4 -8.4 102 102 A L < - 0 0 13 -3,-1.5 -4,-0.4 22,-0.2 2,-0.3 -0.335 44.5-105.8 -73.5 158.3 -10.4 52.5 -7.1 103 103 A k E -M 111 0K 0 8,-2.8 8,-3.1 21,-0.2 2,-0.7 -0.693 18.5-140.5 -90.0 139.6 -13.6 53.0 -9.1 104 104 A i E -MN 110 123K 0 19,-1.9 18,-2.9 -2,-0.3 19,-0.5 -0.890 24.6-141.0 -94.4 108.8 -16.4 55.1 -7.8 105 105 A S > - 0 0 3 4,-2.8 3,-1.4 -2,-0.7 11,-0.1 -0.070 26.3-104.4 -60.2 168.4 -19.6 53.3 -8.7 106 106 A Q T 3 S+ 0 0 88 13,-0.4 -1,-0.1 9,-0.2 14,-0.1 0.830 122.1 63.4 -68.0 -19.1 -22.6 55.3 -10.0 107 107 A W T 3 S- 0 0 173 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.580 121.7-105.8 -81.8 -2.2 -24.1 54.7 -6.5 108 108 A G S < S+ 0 0 0 -3,-1.4 -19,-1.7 1,-0.3 2,-0.4 0.707 78.0 120.0 92.0 20.1 -21.2 56.7 -4.9 109 109 A Y B -K 88 0I 92 -21,-0.3 -4,-2.8 7,-0.0 2,-0.5 -0.946 59.5-119.1-117.9 149.7 -19.1 54.0 -3.3 110 110 A j E +M 104 0K 5 -23,-2.3 -23,-0.3 -2,-0.4 -6,-0.2 -0.666 52.7 117.5 -82.2 119.5 -15.5 53.0 -3.9 111 111 A G E -M 103 0K 0 -8,-3.1 -8,-2.8 -2,-0.5 2,-0.3 -0.813 50.7-113.2-155.8-159.7 -14.6 49.5 -5.1 112 112 A L B +O 241 0L 6 129,-1.7 129,-1.5 -2,-0.2 2,-0.2 -0.963 67.4 59.2-150.0 128.7 -13.0 47.4 -7.9 113 113 A G S >> S- 0 0 5 -2,-0.3 4,-3.0 127,-0.2 3,-2.2 -0.637 101.9 -56.7 136.8 173.6 -14.8 44.9 -10.2 114 114 A S H 3> S+ 0 0 82 1,-0.3 4,-2.1 -2,-0.2 -1,-0.1 0.879 129.2 62.3 -53.0 -32.2 -17.7 45.2 -12.7 115 115 A E H 34 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.2 -9,-0.2 0.640 121.2 20.9 -65.5 -15.0 -20.1 46.7 -10.0 116 116 A F H <4 S+ 0 0 11 -3,-2.2 -2,-0.2 -11,-0.1 -1,-0.2 0.715 129.7 41.7-122.3 -43.4 -17.9 49.6 -9.5 117 117 A k H < S+ 0 0 6 -4,-3.0 10,-2.0 -14,-0.1 11,-0.6 0.456 103.2 80.2 -88.2 -6.7 -15.8 49.9 -12.7 118 118 A G S >< S- 0 0 17 -4,-2.1 3,-2.5 -5,-0.4 10,-0.2 0.346 97.2 -19.1 -81.0-151.8 -18.7 49.2 -15.1 119 119 A E T 3 S+ 0 0 156 1,-0.3 -13,-0.4 8,-0.1 -1,-0.2 -0.276 133.2 26.8 -58.3 141.0 -21.5 51.4 -16.4 120 120 A G T 3 S+ 0 0 29 1,-0.3 -1,-0.3 -15,-0.1 -2,-0.1 0.158 80.3 153.0 88.3 -19.0 -22.0 54.4 -14.2 121 121 A l < - 0 0 20 -3,-2.5 -1,-0.3 1,-0.2 -16,-0.2 -0.260 24.5-169.5 -52.3 122.7 -18.3 54.4 -13.0 122 122 A Q - 0 0 49 -18,-2.9 2,-0.3 1,-0.3 -1,-0.2 0.653 56.5 -15.9 -87.3 -36.4 -17.6 58.0 -12.1 123 123 A N B S+N 104 0K 12 -19,-0.5 -19,-1.9 19,-0.1 -1,-0.3 -0.980 97.2 47.1-167.3 167.6 -13.9 58.0 -11.6 124 124 A G S S- 0 0 3 -2,-0.3 2,-1.8 -21,-0.2 -21,-0.2 -0.549 110.6 -7.9 88.4-154.4 -10.8 55.8 -11.0 125 125 A A S S+ 0 0 6 -24,-1.9 -22,-0.2 -2,-0.2 -1,-0.1 -0.238 75.7 175.1 -77.6 52.2 -10.2 52.7 -13.1 126 126 A l > - 0 0 24 -2,-1.8 3,-0.7 1,-0.2 -8,-0.2 -0.292 26.7-151.9 -66.1 130.4 -13.4 52.5 -15.1 127 127 A S T 3 S+ 0 0 34 -10,-2.0 -1,-0.2 1,-0.2 -9,-0.1 0.465 80.3 88.0 -75.4 -4.3 -13.5 49.7 -17.7 128 128 A T T 3 S- 0 0 42 -11,-0.6 -1,-0.2 -10,-0.2 -10,-0.1 0.811 77.9-151.4 -72.0 -29.4 -15.9 51.7 -19.9 129 129 A D < - 0 0 65 -3,-0.7 -2,-0.1 1,-0.2 -1,-0.0 0.945 12.7-164.6 58.4 58.2 -13.2 53.6 -21.7 130 130 A K - 0 0 111 -4,-0.1 23,-0.4 1,-0.1 -1,-0.2 -0.500 24.0-111.7 -72.5 136.7 -15.1 56.8 -22.5 131 131 A P - 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