==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 20-MAR-98 1A78 . COMPND 2 MOLECULE: GALECTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: BUFO ARENARUM; . AUTHOR L.M.AMZEL,M.A.BIANCHET,H.AHMED,G.R.VASTA . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 75.7 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 . 149 55.6 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 3.0 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 . 1 0.4 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 . 32 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.2 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+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 . 0 2 4 2 6 2 0 5 1 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 . 0 0 0 0 0 0 0 0 1 0 0 0 1 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 A 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.8 3.2 8.0 21.7 2 2 A S + 0 0 92 2,-0.0 2,-0.0 124,-0.0 122,-0.0 0.507 360.0 140.0 114.4 102.3 6.0 7.5 19.2 3 3 A A - 0 0 61 121,-0.3 122,-1.5 122,-0.1 123,-0.9 0.331 33.3-171.0-123.0 -95.1 6.9 4.2 17.6 4 4 A G + 0 0 29 120,-0.2 123,-0.1 121,-0.1 141,-0.1 -0.960 30.9 16.6 140.6-158.4 7.9 4.3 13.9 5 5 A V - 0 0 8 -2,-0.3 118,-2.2 121,-0.3 2,-0.4 -0.242 46.1-164.7 -61.4 140.5 8.6 2.5 10.7 6 6 A A E -AB 122 143A 13 137,-1.6 137,-2.6 116,-0.2 2,-0.4 -0.999 3.7-163.0-129.4 125.7 7.7 -1.2 10.3 7 7 A V E -AB 121 142A 4 114,-3.6 114,-2.4 -2,-0.4 2,-0.3 -0.927 6.3-170.4-111.6 133.5 9.3 -3.2 7.4 8 8 A T E +AB 120 141A 62 133,-2.5 133,-2.0 -2,-0.4 112,-0.2 -0.860 67.2 30.2-121.6 157.0 7.7 -6.5 6.3 9 9 A N E + 0 0 86 110,-0.7 111,-0.2 -2,-0.3 -1,-0.2 0.802 68.2 150.0 67.2 27.3 9.2 -9.1 3.9 10 10 A L E - 0 0 9 109,-2.4 110,-0.1 -3,-0.2 130,-0.1 0.786 35.1-161.1 -60.8 -27.2 12.7 -8.1 5.0 11 11 A N E + 0 0 81 1,-0.2 2,-0.7 108,-0.1 -1,-0.1 0.860 13.8 179.8 44.0 52.9 13.8 -11.7 4.3 12 12 A L E -A 118 0A 4 106,-1.8 106,-2.9 4,-0.0 -1,-0.2 -0.731 5.9-171.5 -84.2 115.7 17.0 -11.6 6.4 13 13 A K > - 0 0 90 -2,-0.7 3,-0.9 104,-0.2 79,-0.3 -0.672 37.7 -74.7-102.4 161.2 18.5 -15.1 6.0 14 14 A P T 3 S+ 0 0 46 0, 0.0 79,-0.3 0, 0.0 -1,-0.2 -0.203 119.4 35.2 -57.2 146.5 21.5 -16.2 8.1 15 15 A G T 3 S+ 0 0 46 77,-3.7 2,-0.3 1,-0.3 78,-0.1 0.660 104.0 95.4 85.3 12.6 24.8 -14.8 7.0 16 16 A H E < -N 92 0B 84 -3,-0.9 76,-2.4 76,-0.7 -1,-0.3 -0.894 55.2-155.4-129.9 167.6 23.2 -11.5 6.2 17 17 A C E -N 91 0B 27 -2,-0.3 117,-1.8 74,-0.2 2,-0.4 -0.902 11.8-147.7-143.3 167.4 22.7 -8.2 7.9 18 18 A V E -NO 90 133B 0 72,-1.9 72,-2.4 -2,-0.3 2,-0.5 -0.995 11.6-158.8-135.6 134.3 20.6 -5.1 8.3 19 19 A E E -NO 89 132B 52 113,-2.3 113,-2.0 -2,-0.4 2,-0.3 -0.983 7.9-161.7-117.3 124.3 21.9 -1.7 9.3 20 20 A I E -NO 88 131B 2 68,-2.9 68,-1.9 -2,-0.5 2,-0.4 -0.818 6.3-173.6-105.1 146.5 19.5 0.9 10.7 21 21 A K E +NO 87 130B 61 109,-2.1 108,-2.1 -2,-0.3 109,-1.9 -0.996 21.9 129.1-140.3 133.2 20.3 4.6 10.8 22 22 A G E -NO 86 128B 0 64,-2.4 64,-2.9 -2,-0.4 2,-0.4 -0.945 49.5 -81.8-165.5-175.0 18.2 7.3 12.4 23 23 A S E -NO 85 127B 29 104,-2.5 104,-3.0 -2,-0.3 62,-0.3 -0.924 25.7-144.1-114.5 133.7 17.9 10.2 14.8 24 24 A I - 0 0 3 60,-4.0 102,-0.1 -2,-0.4 4,-0.1 -0.784 28.7-119.4 -90.6 126.6 17.5 10.1 18.6 25 25 A P > - 0 0 51 0, 0.0 58,-2.0 0, 0.0 3,-0.6 -0.288 18.8-119.5 -63.2 155.8 15.2 12.8 19.9 26 26 A P T 3 S+ 0 0 89 0, 0.0 2,-0.4 0, 0.0 56,-0.1 0.758 114.1 41.9 -68.1 -25.1 16.8 15.3 22.5 27 27 A D T 3 S+ 0 0 147 55,-0.0 2,-0.5 56,-0.0 55,-0.0 -0.691 83.4 147.1-121.6 71.7 14.3 14.2 25.1 28 28 A C < - 0 0 1 -3,-0.6 3,-0.1 -2,-0.4 22,-0.0 -0.960 33.2-169.5-114.4 121.3 14.3 10.5 24.5 29 29 A K S S- 0 0 97 -2,-0.5 22,-2.5 1,-0.3 21,-1.5 0.850 72.6 -40.4 -75.4 -34.1 13.8 8.2 27.4 30 30 A G E -C 49 0A 9 19,-0.3 -1,-0.3 20,-0.2 2,-0.3 -0.934 54.5-145.0 178.0 160.9 14.7 5.1 25.3 31 31 A F E -C 48 0A 3 17,-1.9 17,-2.5 -2,-0.3 2,-0.3 -0.935 10.9-153.0-138.9 164.1 14.3 3.6 21.9 32 32 A A E -CD 47 124A 0 92,-1.9 92,-2.1 -2,-0.3 2,-0.4 -0.930 11.8-160.0-139.2 158.2 14.0 0.1 20.4 33 33 A V E -CD 46 123A 0 13,-1.4 13,-2.4 -2,-0.3 2,-0.4 -0.984 21.4-160.5-135.4 124.5 14.6 -1.9 17.2 34 34 A N E -CD 45 122A 0 88,-3.2 88,-1.7 -2,-0.4 2,-0.4 -0.895 11.8-177.7-115.9 143.7 12.7 -5.1 16.8 35 35 A L E +CD 44 121A 2 9,-2.4 8,-2.9 -2,-0.4 9,-2.4 -0.999 39.7 78.7-135.1 134.2 13.4 -8.1 14.6 36 36 A G E S-CD 42 120A 0 84,-2.0 84,-2.6 -2,-0.4 6,-0.2 -0.922 87.8 -51.6 168.5-143.9 11.2 -11.2 14.4 37 37 A E E S- 0 0 76 4,-1.7 2,-0.3 1,-0.3 5,-0.1 0.791 100.4 -36.0 -97.5 -37.0 7.9 -12.4 12.8 38 38 A D E > S-C 41 0A 64 3,-1.5 3,-1.4 82,-0.1 -1,-0.3 -0.918 81.8 -58.7-168.2-170.8 5.4 -9.7 13.7 39 39 A A T 3 S+ 0 0 65 -2,-0.3 3,-0.1 1,-0.3 83,-0.0 0.608 131.0 42.0 -65.2 -12.6 4.4 -7.3 16.5 40 40 A S T 3 S+ 0 0 35 1,-0.2 27,-2.6 24,-0.0 26,-0.5 0.330 111.0 56.6-114.1 1.8 3.9 -10.1 19.0 41 41 A N E < +CE 38 65A 31 -3,-1.4 -4,-1.7 24,-0.2 -3,-1.5 -0.896 60.8 174.9-140.2 106.4 6.9 -12.3 18.2 42 42 A F E -CE 36 64A 12 22,-1.5 22,-2.6 -2,-0.4 -6,-0.3 -0.930 23.7-168.2-113.3 132.0 10.4 -10.8 18.4 43 43 A L E S+ 0 0 9 -8,-2.9 2,-0.4 -2,-0.4 69,-0.3 0.833 92.8 15.0 -80.1 -34.8 13.5 -12.9 17.9 44 44 A L E -C 35 0A 0 -9,-2.4 -9,-2.4 -3,-0.1 2,-0.6 -0.984 59.8-173.9-144.7 123.8 15.3 -9.8 19.2 45 45 A H E -CE 34 62A 14 17,-2.7 17,-1.8 -2,-0.4 2,-0.7 -0.986 16.4-166.6-113.9 109.0 13.9 -6.7 21.0 46 46 A F E -CE 33 61A 0 -13,-2.4 -13,-1.4 -2,-0.6 2,-0.6 -0.885 9.3-178.9-100.6 104.3 16.9 -4.3 21.3 47 47 A N E -CE 32 60A 14 13,-3.0 13,-3.2 -2,-0.7 2,-0.8 -0.894 15.5-162.7-116.0 110.6 16.0 -1.5 23.8 48 48 A A E -CE 31 59A 0 -17,-2.5 -17,-1.9 -2,-0.6 2,-0.8 -0.811 15.6-159.3 -91.1 109.2 18.4 1.3 24.6 49 49 A R E +CE 30 58A 20 9,-3.0 9,-2.1 -2,-0.8 -19,-0.3 -0.786 23.0 173.9 -97.1 104.6 17.2 2.9 27.8 50 50 A F E S- 0 0 10 -21,-1.5 7,-2.2 -2,-0.8 -20,-0.2 0.964 89.5 -17.3 -68.1 -51.0 18.4 6.4 28.6 51 51 A D E S+ E 0 56A 108 -22,-2.5 2,-0.3 5,-0.3 -1,-0.2 -0.675 95.8 135.7-157.2 90.1 16.2 6.6 31.6 52 52 A L E > - E 0 55A 44 3,-3.0 3,-2.1 -3,-0.2 -3,-0.1 -0.944 69.1 -14.7-150.2 127.8 13.5 4.0 31.7 53 53 A H T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.816 126.6 -51.0 55.3 35.6 12.0 1.6 34.4 54 54 A G T 3 S+ 0 0 72 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.356 115.2 117.7 85.9 -10.3 15.0 2.2 36.7 55 55 A D E < -E 52 0A 18 -3,-2.1 -3,-3.0 3,-0.1 2,-0.5 -0.840 44.7-171.8 -92.1 120.3 17.5 1.4 33.9 56 56 A V E -E 51 0A 79 -2,-0.6 -5,-0.3 -5,-0.2 -6,-0.2 -0.974 69.5 -14.7-116.9 127.5 19.6 4.5 33.2 57 57 A N E S+ 0 0 80 -7,-2.2 2,-0.3 -2,-0.5 -7,-0.2 0.853 104.2 130.3 46.0 53.1 21.9 4.4 30.1 58 58 A K E -E 49 0A 48 -9,-2.1 -9,-3.0 -3,-0.1 2,-0.5 -0.866 55.2-131.4-131.1 162.1 21.5 0.6 29.8 59 59 A I E -EF 48 75A 0 16,-2.1 16,-1.8 -2,-0.3 2,-0.4 -0.965 20.4-168.6-115.8 122.7 20.7 -1.7 26.9 60 60 A V E -EF 47 74A 1 -13,-3.2 -13,-3.0 -2,-0.5 2,-0.4 -0.947 3.8-172.7-112.8 131.6 18.1 -4.4 27.5 61 61 A C E +EF 46 73A 0 12,-2.2 12,-2.1 -2,-0.4 2,-0.3 -0.967 13.8 153.6-122.7 143.7 17.6 -7.2 24.9 62 62 A N E -E 45 0A 4 -17,-1.8 -17,-2.7 -2,-0.4 2,-0.3 -0.953 34.1-125.4-158.0 169.7 14.9 -9.8 25.0 63 63 A S E - 0 0 19 -2,-0.3 7,-2.2 -19,-0.2 2,-0.4 -0.820 20.6-156.7-115.9 162.2 12.8 -12.2 22.8 64 64 A K E -EG 42 69A 23 -22,-2.6 -22,-1.5 -2,-0.3 2,-0.4 -0.992 10.2-177.4-144.8 130.3 9.1 -12.3 22.7 65 65 A E E > S-EG 41 68A 120 3,-1.9 3,-1.4 -2,-0.4 -24,-0.2 -0.966 78.7 -14.1-132.2 115.3 6.8 -15.1 21.6 66 66 A A T 3 S- 0 0 72 -26,-0.5 -25,-0.2 -2,-0.4 -1,-0.1 0.902 127.3 -56.7 60.8 42.1 3.0 -14.6 21.5 67 67 A D T 3 S+ 0 0 96 -27,-2.6 2,-0.7 1,-0.2 -1,-0.3 0.399 110.6 121.6 70.9 0.6 3.4 -11.4 23.5 68 68 A A E < -G 65 0A 64 -3,-1.4 -3,-1.9 -28,-0.3 -1,-0.2 -0.846 59.3-136.9 -98.2 113.1 5.2 -13.1 26.4 69 69 A W E -G 64 0A 125 -2,-0.7 -5,-0.2 -5,-0.2 2,-0.1 -0.293 17.6-149.5 -64.5 149.5 8.6 -11.6 27.0 70 70 A G - 0 0 35 -7,-2.2 2,-0.5 1,-0.1 -1,-0.1 -0.105 46.4 -38.2-101.1-151.8 11.5 -14.0 27.6 71 71 A S - 0 0 87 -2,-0.1 -1,-0.1 1,-0.1 -8,-0.1 -0.606 62.0-130.3 -80.3 122.4 14.7 -13.7 29.7 72 72 A E - 0 0 84 -2,-0.5 2,-0.4 -10,-0.1 -10,-0.2 -0.267 14.0-158.8 -67.9 151.6 16.2 -10.2 29.6 73 73 A Q E -F 61 0A 56 -12,-2.1 -12,-2.2 2,-0.0 2,-0.2 -0.978 14.4-159.9-130.8 109.5 19.9 -9.9 28.8 74 74 A R E -F 60 0A 99 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.595 5.7-165.5 -91.6 160.8 21.2 -6.5 30.0 75 75 A E E -F 59 0A 54 -16,-1.8 -16,-2.1 -2,-0.2 -2,-0.0 -0.992 17.8-150.9-145.7 146.8 24.4 -4.8 28.7 76 76 A E + 0 0 128 -2,-0.3 2,-0.4 -18,-0.2 -1,-0.1 0.627 66.1 99.6 -94.3 -19.6 26.4 -1.9 30.1 77 77 A V + 0 0 61 -18,-0.1 -2,-0.1 1,-0.1 -18,-0.0 -0.599 46.1 175.8 -71.1 128.4 28.0 -0.4 26.9 78 78 A F + 0 0 31 -2,-0.4 2,-0.6 -20,-0.1 -1,-0.1 -0.712 12.8 171.0-138.3 84.2 25.9 2.6 25.8 79 79 A P + 0 0 49 0, 0.0 2,-0.4 0, 0.0 23,-0.1 -0.105 45.1 110.9 -87.7 43.2 27.2 4.5 22.8 80 80 A F - 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