==== 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 SUGAR BINDING PROTEIN 31-DEC-04 1WW4 . COMPND 2 MOLECULE: GALECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE CYLINDRACEA; . AUTHOR M.BAN,H.J.YOON,E.DEMIRKAN,S.UTSUMI,B.MIKAMI,F.YAGI . 640 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 71.9 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 . 280 43.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 95 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 4 0 4 4 12 16 0 4 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 . 0 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 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 2 A T 0 0 130 0, 0.0 158,-0.1 0, 0.0 591,-0.1 0.000 360.0 360.0 360.0 12.8 11.9 6.5 99.5 2 3 A T + 0 0 106 156,-0.6 157,-0.1 157,-0.1 605,-0.0 -0.295 360.0 176.8-161.9 60.9 9.0 9.0 99.3 3 4 A S - 0 0 5 155,-0.1 2,-0.3 156,-0.1 155,-0.2 -0.087 15.6-139.1 -67.2 166.0 6.6 7.8 96.6 4 5 A A E -A 157 0A 38 153,-2.9 153,-2.0 2,-0.0 2,-0.5 -0.971 5.0-147.9-135.6 148.6 3.2 9.4 95.7 5 6 A V E -A 156 0A 2 -2,-0.3 2,-0.4 597,-0.3 151,-0.2 -0.959 17.5-175.0-115.6 122.5 -0.3 8.2 94.8 6 7 A N E -A 155 0A 25 149,-1.9 149,-2.5 -2,-0.5 2,-0.5 -0.971 8.1-158.2-122.7 133.7 -2.3 10.3 92.4 7 8 A I E +A 154 0A 44 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.934 12.7 179.0-113.1 127.7 -5.9 9.6 91.5 8 9 A Y E -A 153 0A 27 145,-3.1 145,-3.1 -2,-0.5 2,-0.6 -0.974 21.9-146.3-129.2 142.5 -7.5 10.9 88.2 9 10 A N E -A 152 0A 100 -2,-0.4 2,-0.7 143,-0.2 143,-0.2 -0.936 20.8-163.7-105.4 115.4 -11.0 10.5 86.8 10 11 A I E -A 151 0A 1 141,-3.0 141,-2.6 -2,-0.6 2,-0.2 -0.877 4.5-153.2-108.2 114.0 -10.8 10.4 83.0 11 12 A S E > -A 150 0A 19 -2,-0.7 3,-2.5 139,-0.2 127,-0.4 -0.574 38.1 -89.7 -80.2 144.3 -13.9 11.0 81.0 12 13 A A T 3 S+ 0 0 30 137,-2.4 325,-0.3 1,-0.3 127,-0.2 -0.222 117.8 22.3 -50.4 134.2 -14.1 9.4 77.5 13 14 A G T 3 S+ 0 0 35 125,-3.2 -1,-0.3 1,-0.3 126,-0.2 0.410 106.0 115.4 84.0 -2.8 -12.7 11.8 74.9 14 15 A A E < -F 138 0B 1 -3,-2.5 124,-1.9 124,-0.6 2,-0.4 -0.497 50.4-156.5 -99.0 169.1 -10.8 13.6 77.7 15 16 A S E -F 137 0B 59 319,-0.4 2,-0.4 122,-0.2 122,-0.2 -0.990 11.1-159.4-142.5 128.8 -7.1 14.1 78.4 16 17 A V E -F 136 0B 19 120,-2.6 120,-1.9 -2,-0.4 2,-0.6 -0.889 15.8-131.4-115.2 147.4 -5.7 14.9 81.8 17 18 A D E -F 135 0B 109 -2,-0.4 118,-0.3 118,-0.2 2,-0.1 -0.841 31.3-123.4 -94.2 124.0 -2.4 16.4 82.8 18 19 A L E - 0 0 18 116,-2.3 -10,-0.0 -2,-0.6 -1,-0.0 -0.436 3.7-144.0 -68.3 138.7 -0.7 14.4 85.5 19 20 A A E S+ 0 0 82 1,-0.2 -1,-0.2 -2,-0.1 116,-0.0 0.719 96.5 29.2 -72.6 -21.3 0.2 16.3 88.7 20 21 A A E S- 0 0 21 113,-0.0 -1,-0.2 114,-0.0 -14,-0.1 -0.990 94.4-118.5-139.3 126.2 3.3 14.1 88.8 21 22 A P E - 0 0 74 0, 0.0 2,-0.7 0, 0.0 113,-0.2 -0.313 21.3-124.6 -67.5 150.8 5.0 12.7 85.7 22 23 A V E +F 133 0B 2 111,-2.5 111,-2.6 135,-0.1 2,-0.2 -0.854 42.6 164.7 -97.4 112.8 5.2 8.9 85.2 23 24 A T > - 0 0 57 -2,-0.7 3,-2.6 109,-0.2 85,-0.3 -0.516 45.6 -39.6-117.6-173.4 8.9 7.9 84.6 24 25 A T T 3 S+ 0 0 70 1,-0.3 136,-0.2 -2,-0.2 85,-0.2 -0.200 128.6 16.8 -51.5 127.3 11.0 4.8 84.6 25 26 A G T 3 S+ 0 0 23 83,-4.5 -1,-0.3 1,-0.3 84,-0.1 0.236 101.1 118.3 93.3 -14.2 10.0 2.5 87.5 26 27 A D < - 0 0 5 -3,-2.6 82,-2.1 82,-0.3 -1,-0.3 -0.341 53.4-135.7 -83.1 167.1 6.6 4.2 88.0 27 28 A I E -BC 107 156A 0 129,-2.9 129,-2.6 80,-0.2 2,-0.4 -0.919 14.8-170.8-127.9 151.6 3.2 2.6 87.6 28 29 A V E -BC 106 155A 0 78,-1.7 78,-3.0 -2,-0.3 2,-0.4 -0.983 8.4-171.8-139.8 123.7 -0.1 3.6 86.0 29 30 A T E -BC 105 154A 0 125,-2.7 125,-2.0 -2,-0.4 2,-0.5 -0.953 10.1-152.0-120.7 142.4 -3.3 1.6 86.4 30 31 A F E -BC 104 153A 3 74,-3.4 74,-1.9 -2,-0.4 2,-0.5 -0.939 9.5-158.5-112.3 126.7 -6.6 2.1 84.6 31 32 A F E -BC 103 152A 40 121,-3.9 121,-2.5 -2,-0.5 2,-0.4 -0.917 9.0-176.7-110.5 124.4 -9.8 1.2 86.3 32 33 A S E -B 102 0A 7 70,-3.0 70,-1.8 -2,-0.5 119,-0.1 -0.964 15.9-160.2-115.6 133.5 -13.0 0.5 84.3 33 34 A S S S+ 0 0 97 117,-0.5 2,-0.3 -2,-0.4 68,-0.1 0.157 78.0 44.5 -97.8 18.7 -16.2 -0.3 86.2 34 35 A A - 0 0 26 68,-0.1 114,-0.4 114,-0.1 2,-0.3 -0.977 60.9-160.9-154.5 157.1 -17.7 -1.9 83.2 35 36 A L - 0 0 23 -2,-0.3 2,-0.5 112,-0.2 112,-0.2 -0.940 7.7-179.4-146.8 120.6 -16.7 -4.4 80.4 36 37 A N > + 0 0 75 110,-1.5 3,-0.7 -2,-0.3 4,-0.2 -0.822 10.8 166.6-127.1 91.0 -18.5 -4.6 77.1 37 38 A L T 3 S+ 0 0 67 -2,-0.5 55,-0.1 1,-0.2 -1,-0.1 0.538 82.6 47.4 -81.4 -7.6 -17.1 -7.2 74.7 38 39 A S T 3 S+ 0 0 122 1,-0.1 -1,-0.2 108,-0.1 108,-0.0 -0.326 78.3 118.3-125.4 47.5 -20.2 -7.2 72.4 39 40 A A S < S- 0 0 39 -3,-0.7 2,-0.3 1,-0.3 106,-0.1 0.914 71.3-104.2 -81.3 -49.3 -20.4 -3.4 72.2 40 41 A G - 0 0 36 104,-0.2 27,-0.4 -4,-0.2 2,-0.3 -0.990 50.8 -28.2 154.8-159.0 -19.9 -2.8 68.5 41 42 A A - 0 0 58 -2,-0.3 2,-0.3 25,-0.1 4,-0.1 -0.698 46.2-139.7 -97.4 144.8 -17.4 -1.5 65.9 42 43 A G - 0 0 9 2,-0.5 4,-0.3 -2,-0.3 3,-0.1 -0.744 26.9-113.5 -99.4 149.0 -14.6 0.9 66.5 43 44 A S S S- 0 0 108 2,-0.7 99,-0.1 -2,-0.3 22,-0.0 -0.430 99.8 -54.9-104.2 59.6 -13.7 3.6 64.0 44 45 A P S S+ 0 0 58 0, 0.0 -2,-0.5 0, 0.0 2,-0.5 -0.986 145.9 56.8 -94.8 -8.7 -11.4 1.7 64.1 45 46 A N - 0 0 30 1,-0.2 -2,-0.7 20,-0.1 20,-0.2 -0.724 48.8-171.5 -91.1 123.0 -10.8 1.8 67.9 46 47 A N S S+ 0 0 0 18,-2.5 95,-1.4 -2,-0.5 2,-0.3 0.878 84.6 4.0 -73.4 -38.0 -13.6 1.0 70.3 47 48 A T E -GH 64 140B 0 17,-1.3 17,-2.9 93,-0.2 2,-0.4 -0.991 67.0-172.4-150.0 138.6 -11.3 2.2 73.1 48 49 A A E -GH 63 139B 4 91,-2.6 91,-2.4 -2,-0.3 2,-0.4 -0.996 5.6-168.6-138.6 130.3 -7.9 3.8 73.3 49 50 A L E -GH 62 138B 0 13,-2.3 13,-2.5 -2,-0.4 2,-0.4 -0.967 17.8-170.5-113.7 132.2 -5.7 4.6 76.3 50 51 A N E -GH 61 137B 0 87,-2.1 87,-1.6 -2,-0.4 2,-0.6 -0.980 22.6-155.3-131.4 142.6 -2.6 6.8 75.6 51 52 A L E -GH 60 136B 0 9,-2.5 9,-1.8 -2,-0.4 8,-0.9 -0.966 28.6-165.9-110.8 116.0 0.4 7.9 77.6 52 53 A L E -GH 58 135B 13 83,-2.9 82,-2.2 -2,-0.6 83,-1.5 -0.891 14.5-131.7-114.8 139.8 1.6 11.2 76.1 53 54 A S > - 0 0 16 4,-1.5 3,-1.9 -2,-0.4 80,-0.1 -0.171 38.4 -99.3 -74.7 172.9 4.9 13.1 76.5 54 55 A E T 3 S+ 0 0 172 78,-0.5 -1,-0.1 1,-0.3 79,-0.1 0.641 124.9 60.0 -69.3 -12.3 5.0 16.8 77.3 55 56 A N T 3 S- 0 0 139 2,-0.0 -1,-0.3 23,-0.0 3,-0.1 0.340 122.5-104.9 -94.5 2.1 5.6 17.3 73.5 56 57 A G S < S+ 0 0 35 -3,-1.9 -2,-0.1 1,-0.3 23,-0.1 0.397 72.0 149.0 88.5 -3.8 2.3 15.6 72.6 57 58 A A - 0 0 5 1,-0.1 -4,-1.5 21,-0.1 2,-1.1 -0.222 54.7-120.1 -60.7 153.5 4.1 12.5 71.5 58 59 A Y E +GI 52 76B 48 18,-3.6 18,-0.9 -6,-0.2 3,-0.2 -0.739 32.2 179.3 -98.2 85.0 2.2 9.2 71.9 59 60 A L E S+ 0 0 0 -2,-1.1 2,-0.4 -8,-0.9 70,-0.3 0.943 76.8 3.2 -47.9 -54.4 4.6 7.4 74.2 60 61 A L E -G 51 0B 0 -9,-1.8 -9,-2.5 -3,-0.2 2,-0.5 -0.983 65.2-168.5-141.9 128.1 2.2 4.5 74.2 61 62 A H E -GI 50 74B 15 13,-2.4 13,-1.7 -2,-0.4 2,-0.5 -0.967 7.7-170.9-114.5 125.3 -1.1 4.1 72.3 62 63 A I E -GI 49 73B 1 -13,-2.5 -13,-2.3 -2,-0.5 2,-0.5 -0.984 8.3-178.6-120.7 118.5 -3.3 1.1 73.4 63 64 A A E -GI 48 72B 0 9,-2.4 9,-2.7 -2,-0.5 2,-0.5 -0.964 16.3-157.5-128.3 125.1 -6.3 0.4 71.2 64 65 A F E -GI 47 71B 1 -17,-2.9 -18,-2.5 -2,-0.5 -17,-1.3 -0.843 10.5-173.2 -99.0 127.9 -9.0 -2.2 71.5 65 66 A R E > - I 0 70B 27 5,-2.8 5,-1.8 -2,-0.5 4,-0.2 -0.878 9.7-178.0-125.3 97.4 -10.8 -3.2 68.3 66 67 A L T > 5S+ 0 0 26 -2,-0.5 3,-1.9 3,-0.2 -1,-0.2 0.960 85.6 49.3 -56.6 -56.6 -13.7 -5.5 68.8 67 68 A Q T 3 5S+ 0 0 84 -27,-0.4 -1,-0.2 1,-0.3 -26,-0.1 0.841 119.5 38.3 -54.2 -38.7 -14.6 -5.8 65.1 68 69 A E T 3 5S- 0 0 82 -24,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.355 105.3-138.5 -91.8 4.1 -10.9 -6.6 64.2 69 70 A N T < 5 + 0 0 74 -3,-1.9 21,-1.7 -4,-0.2 2,-0.3 0.865 63.0 104.5 36.8 60.0 -10.8 -8.6 67.5 70 71 A V E < -IJ 65 89B 20 -5,-1.8 -5,-2.8 19,-0.2 2,-0.4 -0.966 64.6-130.9-156.5 167.1 -7.4 -7.3 68.4 71 72 A I E -IJ 64 88B 1 17,-1.9 17,-2.3 -2,-0.3 2,-0.4 -0.997 25.4-152.2-125.8 130.7 -5.5 -4.9 70.6 72 73 A V E -IJ 63 87B 0 -9,-2.7 -9,-2.4 -2,-0.4 2,-0.5 -0.872 9.8-168.3-111.4 140.3 -2.9 -2.6 69.1 73 74 A F E +IJ 62 86B 1 13,-2.0 13,-1.9 -2,-0.4 2,-0.3 -0.989 28.8 133.9-123.8 124.8 0.2 -1.1 70.7 74 75 A N E -I 61 0B 2 -13,-1.7 -13,-2.4 -2,-0.5 2,-0.3 -0.891 31.4-148.9-154.4-175.3 2.0 1.7 68.9 75 76 A S E + 0 0 0 -2,-0.3 8,-2.0 -15,-0.2 2,-0.2 -0.915 11.6 175.9-153.6 172.9 3.7 5.1 69.3 76 77 A R E -I 58 0B 52 -18,-0.9 -18,-3.6 -2,-0.3 6,-0.1 -0.809 29.6-114.4 176.3 143.5 4.3 8.3 67.3 77 78 A Q > - 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0 0 58 -21,-1.7 4,-0.5 -22,-0.2 -20,-0.1 0.942 57.1-156.1 64.2 99.8 -8.3 -12.0 70.8 91 92 A V H >> S+ 0 0 5 1,-0.2 3,-2.4 2,-0.2 4,-0.8 0.984 89.3 54.7 -63.1 -63.9 -9.6 -9.2 73.1 92 93 A A H >4 S+ 0 0 46 1,-0.3 3,-0.6 2,-0.2 4,-0.2 0.758 98.9 64.4 -43.8 -36.2 -12.0 -11.3 75.3 93 94 A N H >4 S+ 0 0 84 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.806 99.8 51.9 -62.4 -30.0 -9.2 -13.8 76.1 94 95 A Q H << S+ 0 0 14 -3,-2.4 26,-0.3 -4,-0.5 -1,-0.2 0.744 108.5 51.1 -78.7 -22.6 -7.3 -11.1 78.0 95 96 A F T X< S+ 0 0 8 -4,-0.8 3,-0.8 -3,-0.6 2,-0.3 0.275 75.0 131.9 -97.0 9.6 -10.3 -10.2 80.1 96 97 A I T < S+ 0 0 129 -3,-0.7 -3,-0.0 1,-0.3 -4,-0.0 -0.489 71.9 33.5 -64.3 123.3 -11.0 -13.7 81.2 97 98 A G T 3 S+ 0 0 73 -2,-0.3 -1,-0.3 21,-0.1 22,-0.0 0.731 92.7 110.3 98.6 29.0 -11.5 -13.5 84.9 98 99 A S < - 0 0 26 -3,-0.8 -2,-0.1 20,-0.0 4,-0.1 0.820 47.5-168.9 -96.5 -85.7 -13.1 -10.0 84.8 99 100 A G S S- 0 0 71 -4,-0.3 3,-0.1 1,-0.1 -3,-0.0 0.941 75.0 -30.7 90.2 62.6 -16.7 -10.0 85.7 100 101 A G S S+ 0 0 47 -65,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.483 128.0 61.2 78.5 2.8 -18.1 -6.5 84.8 101 102 A K - 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