==== 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 05-DEC-97 1JOT . COMPND 2 MOLECULE: AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: MACLURA POMIFERA; . AUTHOR X.LEE,A.THOMPSON,Z.ZHANG,T.-T.HOA,J.BIESTERFELDT,C.OGATA,L.X . 149 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 66.4 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 . 72 48.3 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 18 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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+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 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 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 . 1 0 0 4 0 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 1 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 G 0 0 64 0, 0.0 2,-0.6 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0-178.1 12.6 22.2 19.0 2 2 A V E -A 120 0A 96 118,-3.0 118,-1.8 119,-0.0 2,-0.1 -0.808 360.0-132.9 -93.2 123.4 12.4 18.5 20.0 3 3 A T E -A 119 0A 96 -2,-0.6 2,-0.3 116,-0.2 116,-0.3 -0.409 25.7-174.9 -75.9 152.3 11.6 16.3 17.1 4 4 A F E -A 118 0A 20 114,-2.8 114,-2.5 -2,-0.1 2,-0.2 -0.966 17.3-167.9-144.1 159.1 9.0 13.6 17.4 5 5 A D E -A 117 0A 84 -2,-0.3 112,-0.3 112,-0.3 -2,-0.0 -0.705 4.5-175.4-153.5 95.5 7.6 10.8 15.3 6 6 A D - 0 0 13 110,-2.2 2,-0.2 -2,-0.2 111,-0.2 0.803 35.6-148.7 -60.9 -31.5 4.4 9.0 16.3 7 7 A G - 0 0 18 109,-0.6 2,-0.4 2,-0.0 109,-0.4 -0.532 33.7 -42.5 91.9-162.9 4.7 6.5 13.5 8 8 A A + 0 0 47 -2,-0.2 107,-0.2 107,-0.1 2,-0.2 -0.862 55.7 167.1-112.8 142.3 1.7 4.9 11.7 9 9 A Y - 0 0 52 105,-2.6 25,-0.2 -2,-0.4 3,-0.1 -0.517 49.2 -89.5-130.5-163.0 -1.5 3.6 13.1 10 10 A T S S- 0 0 67 23,-2.4 2,-0.3 1,-0.2 24,-0.2 0.473 89.2 -50.6 -96.1 -2.5 -5.0 2.4 11.9 11 11 A G E -D 33 0B 5 22,-0.8 22,-1.7 103,-0.3 2,-0.4 -0.984 61.0 -77.2 161.3-168.1 -6.7 5.8 12.1 12 12 A I E +D 32 0B 10 -2,-0.3 20,-0.2 20,-0.3 3,-0.1 -0.993 29.3 168.9-132.1 130.4 -7.4 8.8 14.2 13 13 A R E S+ 0 0 65 18,-2.7 45,-2.6 -2,-0.4 2,-0.3 0.753 71.5 5.2-106.2 -34.9 -9.9 9.1 17.1 14 14 A E E -DE 31 57B 29 17,-2.1 17,-3.2 43,-0.2 2,-0.4 -0.993 52.2-157.8-155.9 144.9 -8.9 12.4 18.6 15 15 A I E -DE 30 56B 0 41,-2.5 41,-3.1 -2,-0.3 2,-0.4 -0.984 10.0-174.4-125.2 128.9 -6.5 15.4 18.2 16 16 A N E +DE 29 55B 25 13,-2.3 13,-2.8 -2,-0.4 2,-0.3 -0.984 17.9 150.3-123.4 126.7 -5.4 17.7 21.0 17 17 A F E -DE 28 54B 6 37,-2.0 37,-2.7 -2,-0.4 2,-0.3 -0.987 33.7-124.5-151.9 161.0 -3.3 20.8 20.4 18 18 A E E - E 0 53B 52 9,-2.0 8,-2.5 -2,-0.3 2,-0.3 -0.745 23.0-179.1-108.1 156.9 -2.6 24.3 21.7 19 19 A Y E -DE 25 52B 40 33,-1.8 33,-2.7 -2,-0.3 2,-0.5 -0.993 18.7-152.2-152.5 152.4 -2.8 27.7 20.1 20 20 A N - 0 0 35 4,-1.3 3,-0.5 -2,-0.3 78,-0.3 -0.988 14.1-147.4-128.6 117.1 -2.2 31.3 20.9 21 21 A S S S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.569 102.1 47.5 -61.0 -7.7 -4.2 33.9 18.9 22 22 A E S S+ 0 0 162 2,-0.1 -1,-0.2 76,-0.1 0, 0.0 0.739 128.0 9.7-102.2 -31.6 -1.2 36.2 19.2 23 23 A T S S- 0 0 31 -3,-0.5 75,-0.3 1,-0.3 2,-0.2 0.678 96.6 -73.3-113.2 -92.0 1.6 33.8 18.3 24 24 A A - 0 0 0 73,-0.1 -4,-1.3 98,-0.1 58,-0.3 -0.849 57.4 -45.8-158.5-167.3 1.4 30.3 16.8 25 25 A I E -D 19 0B 1 56,-2.5 99,-2.8 -2,-0.2 -6,-0.3 -0.559 51.0-171.7 -78.7 139.4 0.6 26.6 17.3 26 26 A G E - 0 0 0 -8,-2.5 -1,-0.1 1,-0.3 97,-0.1 0.283 41.1 -18.5-102.3-130.8 1.9 25.0 20.5 27 27 A G E - 0 0 1 95,-0.1 -9,-2.0 -10,-0.1 -1,-0.3 -0.005 55.4-166.5 -72.4 179.8 2.0 21.4 21.6 28 28 A L E -DF 17 44B 18 16,-2.4 16,-2.0 -11,-0.2 2,-0.4 -0.948 13.5-169.2-168.8 146.2 -0.1 18.5 20.5 29 29 A R E -D 16 0B 81 -13,-2.8 -13,-2.3 -2,-0.3 2,-0.4 -0.994 15.1-151.7-141.2 133.3 -1.0 14.9 21.4 30 30 A V E -D 15 0B 0 12,-0.4 11,-2.3 -2,-0.4 2,-0.7 -0.874 8.6-152.1-113.6 140.8 -2.9 12.5 19.2 31 31 A T E -DG 14 40B 19 -17,-3.2 -18,-2.7 -2,-0.4 -17,-2.1 -0.930 28.1-170.0-107.4 106.3 -5.2 9.6 20.1 32 32 A Y E -DG 12 39B 0 7,-2.5 7,-2.4 -2,-0.7 2,-0.4 -0.355 23.6-115.9 -89.4 171.0 -4.9 7.1 17.3 33 33 A D E -DG 11 38B 3 -22,-1.7 -23,-2.4 5,-0.2 -22,-0.8 -0.893 25.8-166.6-104.9 141.1 -6.9 4.0 16.5 34 34 A L E > - G 0 37B 52 3,-2.5 3,-1.3 -2,-0.4 -25,-0.0 -0.866 69.9 -41.1-132.6 97.6 -4.9 0.8 16.7 35 35 A N T 3 S- 0 0 131 -2,-0.4 -24,-0.0 1,-0.3 -2,-0.0 0.865 125.9 -37.4 51.5 43.7 -6.8 -2.1 15.2 36 36 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.407 121.8 93.0 94.1 -2.5 -10.0 -1.0 16.8 37 37 A M E < S-G 34 0B 110 -3,-1.3 -3,-2.5 2,-0.0 -1,-0.2 -0.949 79.2-102.1-127.3 147.0 -8.8 0.3 20.1 38 38 A P E -G 33 0B 84 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.359 34.1-171.7 -63.0 140.7 -7.8 3.7 21.3 39 39 A F E -G 32 0B 82 -7,-2.4 -7,-2.5 -2,-0.0 2,-0.6 -0.927 10.7-152.5-139.2 110.8 -4.1 4.4 21.5 40 40 A V E -G 31 0B 88 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.760 16.8-152.4 -88.1 121.7 -2.8 7.6 23.1 41 41 A A - 0 0 10 -11,-2.3 3,-0.0 -2,-0.6 -35,-0.0 -0.269 36.8 -62.1 -85.0 174.2 0.6 8.6 21.7 42 42 A E - 0 0 150 1,-0.1 2,-0.4 -13,-0.1 -12,-0.4 -0.258 52.6-117.5 -58.5 140.0 3.3 10.6 23.5 43 43 A D - 0 0 74 -14,-0.1 2,-0.8 -3,-0.1 -14,-0.2 -0.676 23.0-154.9 -80.8 128.5 2.3 14.2 24.4 44 44 A H B -F 28 0B 18 -16,-2.0 -16,-2.4 -2,-0.4 2,-0.2 -0.863 20.1-164.4-109.4 98.0 4.5 16.6 22.6 45 45 A K - 0 0 148 -2,-0.8 75,-0.1 -18,-0.2 2,-0.1 -0.487 18.9-114.2 -89.9 153.6 4.6 19.8 24.7 46 46 A S - 0 0 15 2,-0.2 76,-0.3 -2,-0.2 77,-0.1 -0.361 26.2-121.4 -73.3 156.9 5.6 23.4 24.0 47 47 A F S S+ 0 0 116 74,-2.6 2,-0.2 -2,-0.1 75,-0.2 0.613 94.7 36.5 -76.2 -11.9 8.7 24.8 25.8 48 48 A I S S- 0 0 66 74,-0.3 -2,-0.2 73,-0.3 2,-0.2 -0.669 75.3-125.5-130.0-175.6 6.4 27.5 27.2 49 49 A T + 0 0 129 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.612 62.1 89.0-124.0-177.3 2.8 28.1 28.5 50 50 A G + 0 0 57 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.685 60.3 130.9 98.3 21.3 -0.0 30.5 27.8 51 51 A F - 0 0 27 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.618 55.5-124.6-103.5 164.6 -1.9 28.5 25.1 52 52 A K E -E 19 0B 96 -33,-2.7 -33,-1.8 -2,-0.2 2,-0.4 -0.896 27.5-134.3-105.7 133.3 -5.5 27.6 24.7 53 53 A P E -E 18 0B 116 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.748 17.6-166.9 -93.0 139.5 -6.2 23.9 24.3 54 54 A V E -E 17 0B 14 -37,-2.7 -37,-2.0 -2,-0.4 2,-0.5 -0.981 3.0-160.9-122.6 134.7 -8.5 22.6 21.6 55 55 A K E -E 16 0B 135 -2,-0.4 2,-0.7 -39,-0.2 -39,-0.2 -0.974 2.7-167.9-120.0 121.3 -9.8 19.0 21.6 56 56 A I E -E 15 0B 2 -41,-3.1 -41,-2.5 -2,-0.5 2,-0.7 -0.920 3.8-169.8-111.6 108.6 -11.2 17.5 18.4 57 57 A S E -E 14 0B 65 -2,-0.7 -43,-0.2 -43,-0.2 2,-0.2 -0.875 12.8-149.6-100.4 115.5 -13.0 14.2 19.0 58 58 A L - 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