==== 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 03-JAN-05 1WW6 . 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) . 25275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 72.2 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 . 285 44.5 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 . 92 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.5 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+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 3 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 0 0 6 7 23 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 0 122 0, 0.0 158,-0.1 0, 0.0 591,-0.1 0.000 360.0 360.0 360.0 -9.4 11.5 6.6 99.9 2 3 A T + 0 0 106 156,-0.4 157,-0.1 157,-0.1 602,-0.0 -0.442 360.0 170.9-142.0 61.3 8.6 8.9 99.2 3 4 A S - 0 0 4 156,-0.1 2,-0.3 1,-0.1 155,-0.2 -0.101 19.9-139.9 -65.5 170.4 6.5 7.4 96.5 4 5 A A E -A 157 0A 38 153,-2.4 153,-1.8 2,-0.0 2,-0.5 -0.988 9.6-147.1-141.5 150.9 3.1 8.9 95.5 5 6 A V E -A 156 0A 2 -2,-0.3 2,-0.4 597,-0.3 151,-0.2 -0.966 17.5-176.2-117.2 125.7 -0.4 7.8 94.6 6 7 A N E -A 155 0A 23 149,-1.8 149,-2.3 -2,-0.5 2,-0.4 -0.979 8.2-158.0-124.7 134.3 -2.4 9.9 92.2 7 8 A I E +A 154 0A 42 -2,-0.4 2,-0.3 147,-0.2 147,-0.2 -0.936 12.1 179.9-116.3 133.1 -6.0 9.2 91.2 8 9 A Y E -A 153 0A 29 145,-3.0 145,-3.2 -2,-0.4 2,-0.6 -0.961 22.3-146.9-132.1 147.9 -7.7 10.4 88.1 9 10 A N E -A 152 0A 100 -2,-0.3 2,-0.6 143,-0.2 143,-0.2 -0.973 21.2-164.3-112.1 116.3 -11.1 10.1 86.6 10 11 A I E -A 151 0A 0 141,-3.2 141,-2.6 -2,-0.6 2,-0.2 -0.895 4.3-153.9-109.9 112.2 -10.9 10.0 82.8 11 12 A S E > -A 150 0A 14 -2,-0.6 3,-2.4 139,-0.2 127,-0.3 -0.551 38.2 -89.7 -78.9 145.8 -14.1 10.6 80.7 12 13 A A T 3 S+ 0 0 29 137,-2.3 164,-0.4 1,-0.3 127,-0.2 -0.232 116.9 25.9 -53.2 137.8 -14.2 9.1 77.2 13 14 A G T 3 S+ 0 0 37 125,-2.9 -1,-0.3 1,-0.3 126,-0.2 0.270 104.4 116.4 87.8 -10.7 -12.8 11.6 74.7 14 15 A A < - 0 0 0 -3,-2.4 124,-1.9 124,-0.5 2,-0.4 -0.443 51.1-155.9 -96.5 167.1 -10.7 13.2 77.3 15 16 A S E -F 137 0B 65 158,-0.3 2,-0.4 122,-0.2 122,-0.2 -0.999 14.4-158.7-134.1 129.1 -7.0 13.8 78.0 16 17 A V E -F 136 0B 17 120,-3.0 120,-2.0 -2,-0.4 2,-0.6 -0.912 15.0-130.5-115.4 145.5 -5.8 14.4 81.6 17 18 A D E -F 135 0B 112 -2,-0.4 118,-0.3 118,-0.2 2,-0.2 -0.816 29.9-122.2 -91.7 121.0 -2.5 16.0 82.6 18 19 A L E - 0 0 17 116,-2.5 -10,-0.0 -2,-0.6 -1,-0.0 -0.418 6.4-149.2 -65.6 129.1 -0.6 13.9 85.2 19 20 A A E S+ 0 0 81 1,-0.2 -1,-0.2 -2,-0.2 116,-0.0 0.771 95.6 28.7 -66.6 -23.1 0.0 15.8 88.4 20 21 A A E S- 0 0 20 -16,-0.0 -1,-0.2 114,-0.0 -14,-0.1 -0.993 93.7-121.3-139.0 126.3 3.1 13.6 88.6 21 22 A P E - 0 0 72 0, 0.0 2,-0.6 0, 0.0 113,-0.2 -0.308 18.0-127.2 -71.1 153.5 4.9 12.1 85.5 22 23 A V E +F 133 0B 1 111,-2.3 111,-3.0 135,-0.1 2,-0.2 -0.881 41.6 154.3-101.7 120.4 5.3 8.4 84.9 23 24 A T > - 0 0 57 -2,-0.6 3,-2.1 109,-0.2 85,-0.3 -0.560 51.6 -30.2-129.0-166.8 8.9 7.4 84.2 24 25 A T T 3 S+ 0 0 71 1,-0.3 136,-0.3 -2,-0.2 85,-0.2 -0.237 130.3 14.2 -53.6 128.5 11.1 4.3 84.5 25 26 A G T 3 S+ 0 0 25 83,-4.5 -1,-0.3 1,-0.3 84,-0.1 0.067 101.4 116.1 93.5 -24.6 9.9 2.1 87.4 26 27 A D < - 0 0 5 -3,-2.1 82,-2.2 82,-0.2 2,-0.3 -0.240 53.6-137.8 -75.7 165.7 6.6 3.9 87.8 27 28 A I E -BC 107 156A 1 129,-2.5 129,-2.6 80,-0.2 2,-0.4 -0.962 14.1-167.6-132.4 146.8 3.1 2.3 87.3 28 29 A V E -BC 106 155A 0 78,-2.3 78,-3.2 -2,-0.3 2,-0.4 -0.998 8.7-175.7-131.0 130.1 -0.2 3.2 85.7 29 30 A T E -BC 105 154A 0 125,-2.5 125,-2.5 -2,-0.4 2,-0.4 -0.992 10.1-156.6-130.1 130.1 -3.4 1.2 86.1 30 31 A F E -BC 104 153A 3 74,-3.3 74,-2.1 -2,-0.4 2,-0.5 -0.880 8.6-157.9-104.4 134.7 -6.7 1.8 84.4 31 32 A F E -BC 103 152A 32 121,-3.4 121,-2.1 -2,-0.4 2,-0.5 -0.957 4.9-167.6-115.8 129.2 -9.9 0.6 86.1 32 33 A S E -BC 102 151A 8 70,-3.0 70,-1.7 -2,-0.5 119,-0.1 -0.973 14.3-155.9-117.5 128.2 -13.1 0.0 84.1 33 34 A S S S+ 0 0 93 117,-0.5 2,-0.3 -2,-0.5 -1,-0.1 0.234 78.7 34.5 -86.1 14.3 -16.4 -0.5 85.9 34 35 A A - 0 0 28 68,-0.1 114,-0.4 114,-0.1 2,-0.4 -0.985 60.8-153.7-161.7 157.1 -17.8 -2.4 82.9 35 36 A L - 0 0 29 -2,-0.3 2,-0.5 112,-0.2 112,-0.2 -0.975 9.0-179.5-140.8 122.0 -16.9 -4.8 80.1 36 37 A N > + 0 0 68 110,-1.4 3,-0.7 -2,-0.4 4,-0.2 -0.797 8.0 169.7-125.1 87.7 -18.7 -5.0 76.8 37 38 A L T 3 S+ 0 0 69 -2,-0.5 55,-0.1 1,-0.3 -1,-0.1 0.389 82.8 45.1 -79.5 4.4 -17.1 -7.7 74.6 38 39 A S T 3 S+ 0 0 116 1,-0.1 -1,-0.3 108,-0.0 3,-0.1 -0.366 75.3 118.5-141.6 54.1 -20.1 -7.5 72.2 39 40 A A S < S- 0 0 38 -3,-0.7 2,-0.3 1,-0.3 106,-0.1 0.830 72.2-100.6 -90.8 -39.6 -20.6 -3.7 71.8 40 41 A G - 0 0 33 104,-0.2 27,-0.4 -4,-0.2 -1,-0.3 -0.978 51.7 -28.2 151.0-162.9 -19.9 -3.2 68.1 41 42 A A - 0 0 58 -2,-0.3 2,-0.3 25,-0.2 4,-0.1 -0.657 47.9-137.6 -93.4 146.1 -17.4 -2.1 65.5 42 43 A G - 0 0 8 2,-0.5 4,-0.3 -2,-0.3 3,-0.1 -0.750 26.2-113.5 -99.4 149.1 -14.7 0.4 66.1 43 44 A S S S- 0 0 109 2,-0.6 99,-0.1 -2,-0.3 22,-0.0 -0.399 99.3 -57.6-101.4 56.1 -13.8 3.1 63.6 44 45 A P S S+ 0 0 57 0, 0.0 2,-0.6 0, 0.0 -2,-0.5 -0.983 145.1 58.1 -97.9 -6.9 -11.5 1.1 63.8 45 46 A N - 0 0 33 1,-0.2 -2,-0.6 20,-0.1 20,-0.2 -0.752 49.0-173.8 -91.5 117.1 -10.8 1.4 67.6 46 47 A N S S+ 0 0 0 18,-2.2 95,-1.8 -2,-0.6 2,-0.4 0.929 83.4 7.6 -67.9 -44.8 -13.7 0.7 70.0 47 48 A T E -GH 64 140B 0 17,-1.3 17,-2.8 93,-0.2 2,-0.4 -0.999 68.3-172.6-142.7 135.1 -11.5 1.8 72.8 48 49 A A E -GH 63 139B 3 91,-2.9 91,-2.4 -2,-0.4 2,-0.5 -0.996 5.1-168.0-134.0 131.3 -8.0 3.4 72.9 49 50 A L E -GH 62 138B 0 13,-2.6 13,-2.5 -2,-0.4 2,-0.4 -0.977 16.9-168.0-117.3 128.1 -5.8 4.2 75.9 50 51 A N E -GH 61 137B 0 87,-2.5 87,-1.6 -2,-0.5 2,-0.5 -0.937 22.1-159.7-126.1 143.5 -2.8 6.5 75.4 51 52 A L E -GH 60 136B 0 9,-2.6 9,-1.6 -2,-0.4 8,-0.7 -0.981 28.4-166.2-113.0 123.2 0.3 7.5 77.3 52 53 A L E -GH 58 135B 15 83,-2.8 82,-2.3 -2,-0.5 83,-1.3 -0.902 14.6-130.5-121.0 146.1 1.6 10.8 75.9 53 54 A S > - 0 0 16 4,-2.1 3,-2.0 -2,-0.4 80,-0.1 -0.338 41.1 -93.2 -84.0 168.0 4.9 12.7 76.2 54 55 A E T 3 S+ 0 0 171 78,-0.5 -1,-0.1 1,-0.3 79,-0.1 0.641 125.4 45.9 -58.6 -16.0 5.2 16.4 77.0 55 56 A N T 3 S- 0 0 110 2,-0.1 -1,-0.3 23,-0.0 -2,-0.0 0.011 126.4 -90.5-119.3 33.4 5.2 17.3 73.3 56 57 A G S < S+ 0 0 36 -3,-2.0 -2,-0.1 1,-0.2 23,-0.1 0.322 73.0 148.8 84.8 -7.0 2.3 15.2 72.1 57 58 A A - 0 0 0 1,-0.1 -4,-2.1 21,-0.1 2,-1.3 -0.267 51.4-125.4 -61.7 145.9 4.2 12.0 71.2 58 59 A Y E +GI 52 76B 45 18,-3.3 18,-0.9 -6,-0.2 -6,-0.2 -0.698 30.9 178.5 -93.1 83.3 2.2 8.8 71.6 59 60 A L E S+ 0 0 0 -2,-1.3 2,-0.4 -8,-0.7 69,-0.4 0.944 75.6 5.0 -47.5 -54.4 4.6 6.9 73.8 60 61 A L E -G 51 0B 0 -9,-1.6 -9,-2.6 -3,-0.2 2,-0.5 -0.992 66.0-169.2-140.5 130.0 2.2 4.0 74.0 61 62 A H E -GI 50 74B 17 13,-2.2 13,-1.4 -2,-0.4 2,-0.5 -0.977 5.8-169.8-117.7 125.6 -1.1 3.6 72.1 62 63 A I E -GI 49 73B 0 -13,-2.5 -13,-2.6 -2,-0.5 2,-0.4 -0.971 10.0-179.0-120.1 115.8 -3.4 0.7 73.2 63 64 A A E -GI 48 72B 0 9,-2.4 9,-2.6 -2,-0.5 2,-0.5 -0.958 16.1-157.8-123.9 133.7 -6.4 -0.1 70.9 64 65 A F E -GI 47 71B 1 -17,-2.8 -18,-2.2 -2,-0.4 -17,-1.3 -0.919 10.0-174.8-108.4 123.0 -9.1 -2.6 71.2 65 66 A R E >> + I 0 70B 28 5,-3.0 5,-1.9 -2,-0.5 4,-0.5 -0.908 10.8 179.8-122.9 103.7 -10.9 -3.6 68.0 66 67 A L T >45S+ 0 0 29 -2,-0.5 3,-1.1 -26,-0.3 -1,-0.2 0.945 85.6 54.4 -63.7 -51.1 -13.9 -6.0 68.4 67 68 A Q T 345S+ 0 0 81 -27,-0.4 -1,-0.2 1,-0.3 -26,-0.1 0.834 120.5 34.2 -53.7 -34.1 -14.7 -6.1 64.7 68 69 A E T 345S- 0 0 81 -24,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.441 103.3-137.0 -98.6 -4.0 -11.1 -7.2 64.1 69 70 A N T <<5 + 0 0 82 -3,-1.1 21,-1.5 -4,-0.5 2,-0.3 0.919 64.2 108.9 45.9 56.3 -11.0 -9.2 67.3 70 71 A V E < -IJ 65 89B 18 -5,-1.9 -5,-3.0 19,-0.2 2,-0.4 -0.969 62.4-133.8-153.8 165.4 -7.5 -7.8 68.1 71 72 A I E -IJ 64 88B 0 17,-1.9 17,-2.3 -2,-0.3 2,-0.4 -0.992 24.1-154.6-124.8 131.2 -5.5 -5.4 70.4 72 73 A V E -IJ 63 87B 2 -9,-2.6 -9,-2.4 -2,-0.4 2,-0.5 -0.912 10.2-169.2-115.8 137.6 -2.9 -3.0 68.9 73 74 A F E +IJ 62 86B 1 13,-3.1 13,-2.3 -2,-0.4 2,-0.2 -0.961 28.9 136.5-124.2 112.8 0.1 -1.5 70.5 74 75 A N E -I 61 0B 2 -13,-1.4 -13,-2.2 -2,-0.5 2,-0.3 -0.758 30.0-152.6-140.0-173.1 1.9 1.3 68.6 75 76 A S E + 0 0 0 -2,-0.2 8,-2.0 -15,-0.2 2,-0.3 -0.940 10.6 177.5-156.3 169.6 3.5 4.7 69.0 76 77 A R E -I 58 0B 49 -18,-0.9 -18,-3.3 -2,-0.3 6,-0.1 -0.872 29.5-112.5-179.2 146.2 4.3 7.9 67.0 77 78 A Q > - 0 0 87 4,-0.3 3,-0.6 -2,-0.3 -21,-0.1 -0.370 59.2 -75.3 -78.0 163.0 5.7 11.4 67.2 78 79 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 -0.315 116.0 4.6 -61.1 144.0 3.4 14.4 66.8 79 80 A N T 3 S+ 0 0 172 1,-0.2 -2,-0.1 -23,-0.1 -22,-0.0 0.939 110.8 110.7 43.2 60.2 2.2 15.1 63.3 80 81 A A S < S- 0 0 41 -3,-0.6 -1,-0.2 -4,-0.0 3,-0.1 -0.960 73.8 -89.4-153.5 158.1 4.0 11.9 62.0 81 82 A P - 0 0 104 0, 0.0 -4,-0.3 0, 0.0 2,-0.1 -0.252 50.6 -89.7 -71.7 163.4 2.8 8.6 60.7 82 83 A W - 0 0 107 -6,-0.1 -6,-0.2 1,-0.1 3,-0.1 -0.436 46.0-142.0 -70.5 146.6 2.1 5.6 62.9 83 84 A L - 0 0 74 -8,-2.0 2,-0.5 1,-0.2 -1,-0.1 0.148 47.0 -33.1 -93.5-152.5 5.1 3.3 63.5 84 85 A V - 0 0 100 1,-0.1 2,-0.6 -10,-0.1 -1,-0.2 -0.567 65.2-149.8 -71.7 117.3 5.6 -0.5 63.8 85 86 A E - 0 0 68 -2,-0.5 2,-0.2 -11,-0.1 -11,-0.2 -0.799 7.3-156.3-101.6 120.3 2.5 -1.9 65.4 86 87 A Q E -J 73 0B 97 -13,-2.3 -13,-3.1 -2,-0.6 2,-0.3 -0.595 16.7-161.0 -84.0 146.2 2.5 -5.0 67.6 87 88 A R E -J 72 0B 115 -2,-0.2 2,-0.5 -15,-0.2 -15,-0.2 -0.977 15.8-156.8-135.6 147.7 -0.8 -6.9 67.8 88 89 A V E -J 71 0B 22 -17,-2.3 -17,-1.9 -2,-0.3 2,-0.1 -0.990 22.4-138.3-121.6 125.0 -2.3 -9.5 70.2 89 90 A S E +J 70 0B 73 -2,-0.5 -19,-0.2 -19,-0.2 -20,-0.1 -0.453 68.0 38.2 -84.1 155.7 -5.1 -11.7 68.9 90 91 A N > - 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