==== 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 1WW5 . 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) . 25326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 452 70.6 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 . 284 44.4 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 . 44 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 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 0 0 4 12 20 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 0 119 0, 0.0 591,-0.1 0, 0.0 158,-0.1 0.000 360.0 360.0 360.0 -44.7 11.7 6.8 99.9 2 3 A T + 0 0 103 156,-0.3 157,-0.1 157,-0.1 602,-0.0 -0.442 360.0 171.9-134.6 61.3 8.8 9.1 98.9 3 4 A S - 0 0 6 1,-0.1 2,-0.4 153,-0.0 155,-0.2 -0.150 20.1-140.5 -63.2 163.5 6.7 7.3 96.3 4 5 A A E -A 157 0A 35 153,-2.4 153,-2.1 2,-0.0 2,-0.5 -0.984 12.4-153.0-138.8 146.5 3.4 8.8 95.3 5 6 A V E -A 156 0A 3 -2,-0.4 2,-0.4 597,-0.3 151,-0.2 -0.961 16.7-177.3-115.2 127.7 -0.2 7.8 94.4 6 7 A N E -A 155 0A 26 149,-1.7 149,-2.1 -2,-0.5 2,-0.4 -0.989 10.1-153.9-128.3 135.7 -2.3 9.9 92.1 7 8 A I E -A 154 0A 45 -2,-0.4 2,-0.3 147,-0.2 147,-0.2 -0.922 13.3-179.7-115.6 133.1 -5.9 9.2 91.1 8 9 A Y E -A 153 0A 29 145,-2.7 145,-2.7 -2,-0.4 2,-0.6 -0.976 22.2-148.0-132.3 143.0 -7.6 10.4 87.9 9 10 A N E -A 152 0A 104 -2,-0.3 2,-0.7 143,-0.2 143,-0.2 -0.948 21.5-164.5-107.1 115.1 -11.1 10.1 86.4 10 11 A I E -A 151 0A 1 141,-3.2 141,-2.6 -2,-0.6 2,-0.2 -0.877 3.9-154.9-109.2 108.7 -10.8 9.9 82.6 11 12 A S E > -A 150 0A 15 -2,-0.7 3,-2.0 139,-0.2 127,-0.3 -0.505 37.2 -91.5 -76.2 146.2 -14.0 10.5 80.5 12 13 A A T 3 S+ 0 0 30 137,-2.3 164,-0.3 1,-0.3 127,-0.2 -0.322 114.9 28.8 -57.5 133.1 -14.1 9.0 77.1 13 14 A G T 3 S+ 0 0 36 125,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.324 105.3 102.6 96.0 -6.2 -12.8 11.5 74.5 14 15 A A E < -F 138 0B 2 -3,-2.0 124,-2.3 124,-0.6 2,-0.3 -0.594 53.4-153.9-112.0 171.6 -10.5 13.2 76.9 15 16 A S E -F 137 0B 68 158,-0.3 2,-0.4 122,-0.2 122,-0.3 -0.980 15.9-153.7-136.4 141.6 -6.9 13.4 77.9 16 17 A V E -F 136 0B 18 120,-2.7 120,-2.0 -2,-0.3 2,-0.5 -0.948 15.9-124.3-123.0 144.2 -5.6 14.4 81.4 17 18 A D E -F 135 0B 115 -2,-0.4 118,-0.3 118,-0.2 2,-0.3 -0.738 31.5-123.9 -86.8 125.7 -2.4 16.0 82.4 18 19 A L E - 0 0 18 116,-2.5 -1,-0.0 -2,-0.5 -10,-0.0 -0.514 6.4-150.3 -72.8 132.1 -0.5 14.0 85.0 19 20 A A E S+ 0 0 82 -2,-0.3 -1,-0.2 1,-0.3 116,-0.0 0.825 95.3 31.0 -67.0 -30.7 0.3 15.8 88.3 20 21 A A E S- 0 0 19 -16,-0.0 -1,-0.3 -3,-0.0 -14,-0.1 -0.989 93.4-125.1-130.4 122.1 3.2 13.5 88.5 21 22 A P E - 0 0 72 0, 0.0 2,-0.6 0, 0.0 113,-0.2 -0.285 18.5-124.6 -68.2 153.4 5.0 12.2 85.3 22 23 A V E +F 133 0B 1 111,-2.4 111,-3.2 135,-0.1 2,-0.2 -0.871 41.6 157.6-100.5 122.2 5.4 8.5 84.7 23 24 A T > - 0 0 58 -2,-0.6 3,-2.8 109,-0.2 85,-0.2 -0.656 49.0 -32.1-131.1-173.6 9.0 7.3 84.1 24 25 A T T 3 S+ 0 0 76 1,-0.3 85,-0.2 -2,-0.2 -1,-0.1 -0.150 128.8 14.4 -47.5 121.0 11.2 4.2 84.2 25 26 A G T 3 S+ 0 0 23 83,-4.3 135,-0.3 1,-0.3 -1,-0.3 0.179 100.9 115.2 98.2 -17.6 10.1 2.0 87.1 26 27 A D < - 0 0 5 -3,-2.8 82,-2.2 82,-0.2 -1,-0.3 -0.280 53.9-134.4 -82.2 172.0 6.7 3.7 87.6 27 28 A I E -BC 107 156A 1 129,-2.6 129,-2.2 80,-0.2 2,-0.4 -0.948 14.1-167.7-132.7 149.7 3.3 2.1 87.1 28 29 A V E -BC 106 155A 1 78,-2.1 78,-2.8 -2,-0.3 2,-0.4 -0.989 9.2-175.1-135.8 124.9 -0.1 3.0 85.5 29 30 A T E -BC 105 154A 0 125,-2.4 125,-2.3 -2,-0.4 2,-0.4 -0.979 9.8-156.3-124.5 134.2 -3.3 1.0 86.0 30 31 A F E -BC 104 153A 3 74,-3.2 74,-2.0 -2,-0.4 2,-0.5 -0.906 8.8-157.2-107.4 133.4 -6.6 1.7 84.2 31 32 A F E -BC 103 152A 40 121,-3.3 121,-2.0 -2,-0.4 2,-0.5 -0.952 5.7-168.8-115.0 127.3 -9.8 0.5 85.9 32 33 A S E -B 102 0A 7 70,-3.0 70,-2.0 -2,-0.5 119,-0.1 -0.969 14.0-158.9-117.0 125.4 -13.0 -0.2 83.9 33 34 A S S S+ 0 0 95 -2,-0.5 2,-0.3 117,-0.5 -1,-0.1 0.254 78.2 39.4 -84.8 13.2 -16.2 -0.8 85.8 34 35 A A - 0 0 29 68,-0.1 114,-0.4 114,-0.1 2,-0.4 -0.988 61.5-155.6-156.7 156.6 -17.8 -2.5 82.7 35 36 A L + 0 0 33 -2,-0.3 2,-0.4 112,-0.1 112,-0.2 -0.965 9.0 178.7-141.9 120.6 -16.8 -5.0 80.0 36 37 A N > + 0 0 70 110,-1.3 3,-0.8 -2,-0.4 4,-0.2 -0.732 8.3 168.0-124.4 81.4 -18.6 -5.2 76.6 37 38 A L T 3 S+ 0 0 65 -2,-0.4 55,-0.1 1,-0.3 -1,-0.1 0.471 83.5 40.8 -73.5 0.4 -16.9 -7.9 74.4 38 39 A S T 3 S+ 0 0 118 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 -0.409 75.4 117.4-143.6 60.2 -19.8 -7.7 72.0 39 40 A A S < S- 0 0 40 -3,-0.8 2,-0.3 1,-0.3 106,-0.1 0.680 76.0 -92.7-100.9 -23.2 -20.7 -4.0 71.7 40 41 A G - 0 0 35 -4,-0.2 27,-0.4 104,-0.2 -1,-0.3 -0.939 53.8 -37.6 143.8-165.3 -20.0 -3.4 68.0 41 42 A A - 0 0 57 -2,-0.3 2,-0.2 25,-0.2 4,-0.1 -0.765 46.3-134.7-102.3 143.9 -17.3 -2.3 65.5 42 43 A G - 0 0 10 2,-0.6 4,-0.3 -2,-0.3 3,-0.1 -0.622 27.4-110.0 -92.7 154.6 -14.7 0.4 66.0 43 44 A S S S- 0 0 109 2,-0.6 2,-0.1 -2,-0.2 99,-0.1 -0.444 100.4 -55.7-105.7 59.3 -13.8 3.0 63.4 44 45 A P S S+ 0 0 58 0, 0.0 -2,-0.6 0, 0.0 2,-0.5 -0.974 144.5 55.0 -95.9 -20.0 -11.5 1.1 63.6 45 46 A N - 0 0 34 1,-0.2 -2,-0.6 -3,-0.1 20,-0.2 -0.636 53.7-164.9 -81.1 119.1 -10.6 1.3 67.4 46 47 A N S S- 0 0 0 18,-2.2 95,-1.9 -2,-0.5 2,-0.3 0.933 83.4 -7.1 -64.7 -46.4 -13.5 0.5 69.8 47 48 A T E -GH 64 140B 0 17,-1.0 17,-2.5 93,-0.2 2,-0.4 -0.984 69.0-165.0-151.1 142.1 -11.4 2.0 72.6 48 49 A A E -GH 63 139B 4 91,-3.0 91,-2.2 -2,-0.3 2,-0.5 -0.995 5.6-160.1-133.4 138.0 -7.9 3.3 72.8 49 50 A L E -GH 62 138B 0 13,-2.5 13,-2.7 -2,-0.4 2,-0.4 -0.972 18.3-167.5-116.4 131.4 -5.7 4.1 75.7 50 51 A N E -GH 61 137B 1 87,-2.6 87,-1.9 -2,-0.5 2,-0.6 -0.970 21.8-158.5-130.1 139.3 -2.7 6.3 75.1 51 52 A L E -GH 60 136B 0 9,-2.7 9,-1.6 -2,-0.4 8,-0.9 -0.960 28.5-167.0-108.4 119.6 0.4 7.4 77.0 52 53 A L E -GH 58 135B 16 83,-2.7 82,-2.1 -2,-0.6 83,-1.4 -0.878 14.0-131.9-116.8 146.3 1.7 10.7 75.6 53 54 A S > - 0 0 18 4,-2.1 3,-1.8 -2,-0.3 80,-0.1 -0.275 36.1-100.8 -84.1 171.8 4.9 12.7 76.0 54 55 A E T 3 S+ 0 0 175 78,-0.4 -1,-0.1 1,-0.3 79,-0.1 0.667 125.5 55.4 -67.4 -15.4 5.2 16.4 76.8 55 56 A N T 3 S- 0 0 118 2,-0.1 -1,-0.3 23,-0.0 -3,-0.0 0.405 123.3-105.3 -96.6 -0.4 5.8 16.9 73.1 56 57 A G S < S+ 0 0 34 -3,-1.8 -2,-0.1 1,-0.3 2,-0.0 0.447 70.0 147.5 91.5 0.5 2.6 15.2 72.1 57 58 A A - 0 0 0 21,-0.1 -4,-2.1 1,-0.1 2,-1.3 -0.343 55.0-119.4 -69.4 150.7 4.2 11.9 70.9 58 59 A Y E +GI 52 76B 50 18,-3.2 18,-1.0 -6,-0.2 -6,-0.2 -0.707 33.3 177.7 -92.6 84.9 2.3 8.7 71.4 59 60 A L E S+ 0 0 0 -2,-1.3 69,-0.4 -8,-0.9 2,-0.4 0.935 75.8 6.4 -50.7 -52.9 4.8 6.8 73.5 60 61 A L E -G 51 0B 0 -9,-1.6 -9,-2.7 -3,-0.2 2,-0.5 -0.991 66.5-169.7-140.1 129.6 2.3 3.9 73.7 61 62 A H E -GI 50 74B 17 13,-2.1 13,-1.5 -2,-0.4 2,-0.5 -0.978 5.4-169.4-118.4 124.3 -1.0 3.4 71.9 62 63 A I E -GI 49 73B 2 -13,-2.7 -13,-2.5 -2,-0.5 2,-0.5 -0.964 9.7-178.0-119.7 115.6 -3.3 0.5 73.0 63 64 A A E -GI 48 72B 0 9,-2.5 9,-2.5 -2,-0.5 2,-0.6 -0.946 16.6-157.9-123.8 128.0 -6.2 -0.3 70.7 64 65 A F E -GI 47 71B 2 -17,-2.5 -18,-2.2 -2,-0.5 -17,-1.0 -0.871 11.3-176.4-103.0 117.6 -9.0 -2.8 71.0 65 66 A R E > + I 0 70B 29 5,-2.6 5,-1.8 -2,-0.6 4,-0.3 -0.896 9.4 179.9-118.3 101.6 -10.7 -3.8 67.8 66 67 A L T > 5S+ 0 0 27 -2,-0.6 3,-2.4 -26,-0.2 -1,-0.2 0.980 85.0 52.5 -60.6 -58.9 -13.7 -6.2 68.2 67 68 A Q T 3 5S+ 0 0 82 -27,-0.4 -1,-0.2 1,-0.3 -26,-0.1 0.831 120.5 35.7 -47.8 -37.4 -14.5 -6.4 64.5 68 69 A E T 3 5S- 0 0 79 -24,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.394 103.4-137.8 -96.6 1.0 -10.8 -7.3 63.8 69 70 A N T < 5 + 0 0 73 -3,-2.4 21,-1.3 -4,-0.3 2,-0.3 0.875 62.5 108.8 41.8 54.4 -10.6 -9.3 67.1 70 71 A V E < -IJ 65 89B 16 -5,-1.8 -5,-2.6 19,-0.2 2,-0.5 -0.970 62.9-132.9-151.7 164.6 -7.2 -7.9 67.9 71 72 A I E -IJ 64 88B 1 17,-1.9 17,-1.9 -2,-0.3 2,-0.4 -0.991 25.3-155.5-123.0 124.8 -5.2 -5.6 70.2 72 73 A V E -IJ 63 87B 2 -9,-2.5 -9,-2.5 -2,-0.5 2,-0.5 -0.847 10.0-170.3-108.5 139.5 -2.7 -3.2 68.7 73 74 A F E +IJ 62 86B 2 13,-3.1 13,-2.7 -2,-0.4 2,-0.3 -0.991 27.2 137.8-124.8 122.5 0.3 -1.6 70.3 74 75 A N E -I 61 0B 1 -13,-1.5 -13,-2.1 -2,-0.5 2,-0.3 -0.875 29.9-150.1-150.3-175.6 2.1 1.2 68.4 75 76 A S E + 0 0 0 -2,-0.3 8,-2.2 -15,-0.2 2,-0.2 -0.927 11.8 173.9-153.2 171.5 3.8 4.6 68.8 76 77 A R E -I 58 0B 52 -18,-1.0 -18,-3.2 -2,-0.3 6,-0.1 -0.870 29.8-114.1 178.7 148.7 4.5 7.8 66.8 77 78 A Q > - 0 0 83 4,-0.3 3,-0.6 -2,-0.2 2,-0.1 -0.390 56.7 -79.7 -82.0 167.3 5.9 11.3 67.0 78 79 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 -0.439 115.6 10.4 -69.4 146.4 3.6 14.3 66.6 79 80 A N T 3 S+ 0 0 166 1,-0.2 -22,-0.0 -2,-0.1 -2,-0.0 0.951 109.0 106.1 49.0 58.9 2.7 15.0 62.9 80 81 A A S < S- 0 0 40 -3,-0.6 -1,-0.2 3,-0.0 3,-0.1 -0.957 75.0 -91.7-156.5 158.6 4.3 11.8 61.7 81 82 A P - 0 0 104 0, 0.0 -4,-0.3 0, 0.0 2,-0.2 -0.249 53.2 -83.3 -73.4 166.3 3.0 8.5 60.4 82 83 A W - 0 0 111 -6,-0.1 -6,-0.2 1,-0.1 3,-0.1 -0.504 49.6-142.0 -70.8 136.2 2.2 5.4 62.6 83 84 A L - 0 0 72 -8,-2.2 2,-0.5 -2,-0.2 -1,-0.1 0.245 46.8 -35.6 -81.5-154.9 5.3 3.3 63.3 84 85 A V - 0 0 97 -10,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.559 65.7-151.1 -71.9 117.5 5.9 -0.4 63.6 85 86 A E - 0 0 70 -2,-0.5 2,-0.4 -3,-0.1 -11,-0.2 -0.761 9.0-155.9-100.9 136.9 2.8 -2.0 65.2 86 87 A Q E -J 73 0B 100 -13,-2.7 -13,-3.1 -2,-0.4 2,-0.3 -0.848 17.2-164.1-102.9 139.0 2.7 -5.1 67.4 87 88 A R E -J 72 0B 114 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.887 14.6-156.1-127.1 158.0 -0.6 -7.0 67.6 88 89 A V E -J 71 0B 25 -17,-1.9 -17,-1.9 -2,-0.3 2,-0.1 -0.995 19.4-139.3-132.6 124.7 -2.2 -9.7 69.8 89 90 A S E +J 70 0B 76 -2,-0.4 -19,-0.2 -19,-0.2 -20,-0.1 -0.377 68.6 41.7 -82.2 161.3 -5.0 -11.9 68.6 90 91 A N - 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