==== 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 1WW7 . 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) . 25424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 74.7 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 . 295 46.1 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 . 3 0.5 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 . 101 15.8 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 . 10 1.6 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 4 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 5 9 16 6 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 0 111 0, 0.0 2,-0.6 0, 0.0 591,-0.1 0.000 360.0 360.0 360.0 136.2 -8.1 13.1 99.7 2 3 A T - 0 0 107 605,-0.0 2,-0.2 595,-0.0 605,-0.0 -0.939 360.0-171.4-116.2 115.3 -9.6 9.6 99.2 3 4 A S - 0 0 3 -2,-0.6 2,-0.3 156,-0.0 155,-0.2 -0.466 10.7-140.7 -96.0 171.2 -8.1 7.3 96.6 4 5 A A E -A 157 0A 38 153,-2.6 153,-1.8 -2,-0.2 2,-0.4 -0.976 8.7-152.5-140.3 152.0 -9.6 4.0 95.3 5 6 A V E -A 156 0A 6 597,-0.3 2,-0.4 -2,-0.3 151,-0.2 -0.986 15.8-177.1-122.8 126.5 -8.4 0.6 94.3 6 7 A N E -A 155 0A 23 149,-1.7 149,-2.1 -2,-0.4 2,-0.4 -0.985 9.0-156.5-126.9 136.7 -10.4 -1.5 91.8 7 8 A I E -A 154 0A 41 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.934 11.2-177.0-116.8 135.2 -9.6 -5.1 90.7 8 9 A Y E -A 153 0A 26 145,-2.9 145,-2.9 -2,-0.4 2,-0.7 -0.981 21.2-149.1-133.1 142.7 -10.8 -6.7 87.5 9 10 A N E -A 152 0A 109 -2,-0.4 2,-0.7 143,-0.2 143,-0.2 -0.940 22.0-165.7-109.6 108.0 -10.4 -10.2 86.0 10 11 A I E -A 151 0A 0 141,-3.3 141,-2.9 -2,-0.7 2,-0.2 -0.859 4.4-154.3-101.7 112.5 -10.2 -9.8 82.2 11 12 A S E > -A 150 0A 12 -2,-0.7 3,-1.9 139,-0.2 127,-0.3 -0.491 38.2 -86.2 -79.5 153.5 -10.7 -13.0 80.2 12 13 A A T 3 S+ 0 0 33 137,-1.6 164,-0.4 1,-0.3 127,-0.2 -0.385 115.5 21.9 -62.8 127.8 -9.2 -13.1 76.7 13 14 A G T 3 S+ 0 0 32 125,-3.5 -1,-0.3 1,-0.3 2,-0.2 0.432 103.4 111.5 95.8 0.9 -11.5 -11.6 74.1 14 15 A A E < -F 138 0B 2 -3,-1.9 124,-2.0 124,-0.6 2,-0.4 -0.606 54.2-146.1-108.3 167.9 -13.5 -9.5 76.6 15 16 A S E -F 137 0B 47 158,-0.4 2,-0.4 122,-0.2 122,-0.3 -0.970 14.5-152.9-128.0 142.3 -14.0 -5.9 77.4 16 17 A V E -F 136 0B 20 120,-3.3 120,-2.3 -2,-0.4 2,-0.5 -0.974 9.3-139.1-124.4 132.0 -14.6 -4.6 80.9 17 18 A D E -F 135 0B 103 -2,-0.4 118,-0.3 118,-0.2 2,-0.2 -0.749 29.6-123.3 -86.2 129.3 -16.4 -1.4 82.0 18 19 A L E - 0 0 21 116,-2.8 -1,-0.0 -2,-0.5 -10,-0.0 -0.516 7.9-151.0 -77.7 138.6 -14.6 0.4 84.8 19 20 A A E S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 115,-0.0 0.698 95.9 31.7 -76.8 -20.2 -16.5 1.1 88.0 20 21 A A E S- 0 0 19 114,-0.0 -1,-0.3 -16,-0.0 -14,-0.1 -0.948 94.0-123.2-140.8 115.4 -14.2 4.1 88.4 21 22 A P E - 0 0 71 0, 0.0 2,-0.6 0, 0.0 113,-0.2 -0.151 18.0-126.3 -58.9 149.7 -12.9 6.0 85.3 22 23 A V E +F 133 0B 3 111,-2.6 111,-2.5 135,-0.1 2,-0.2 -0.889 42.5 156.7-102.0 116.3 -9.1 6.4 84.7 23 24 A T > - 0 0 62 -2,-0.6 3,-2.5 109,-0.2 85,-0.2 -0.615 49.2 -33.0-127.2-173.3 -8.1 10.0 84.2 24 25 A T T 3 S+ 0 0 69 1,-0.3 136,-0.4 -2,-0.2 85,-0.2 -0.160 128.0 17.1 -49.8 123.2 -5.1 12.3 84.5 25 26 A G T 3 S+ 0 0 28 83,-3.6 -1,-0.3 1,-0.4 84,-0.1 0.223 101.0 115.8 99.0 -12.8 -2.8 11.2 87.3 26 27 A D < - 0 0 6 -3,-2.5 82,-2.0 82,-0.2 -1,-0.4 -0.331 52.1-140.1 -86.7 170.9 -4.4 7.7 87.7 27 28 A I E -BC 107 156A 1 129,-2.2 129,-2.9 80,-0.2 2,-0.4 -0.969 12.5-169.4-135.6 147.0 -2.8 4.3 87.1 28 29 A V E -BC 106 155A 2 78,-1.7 78,-2.9 -2,-0.3 2,-0.4 -0.998 9.9-170.4-134.8 129.5 -3.7 1.0 85.5 29 30 A T E -BC 105 154A 0 125,-2.7 125,-2.3 -2,-0.4 2,-0.5 -0.986 9.2-153.6-126.9 129.4 -1.6 -2.2 85.9 30 31 A F E -BC 104 153A 5 74,-3.1 74,-2.1 -2,-0.4 2,-0.5 -0.859 9.6-161.0-100.0 129.3 -2.1 -5.5 84.0 31 32 A F E -BC 103 152A 29 121,-3.3 121,-2.3 -2,-0.5 2,-0.5 -0.945 4.1-169.2-114.0 124.6 -0.8 -8.7 85.7 32 33 A S E -B 102 0A 7 70,-3.0 70,-1.9 -2,-0.5 119,-0.1 -0.952 14.8-157.1-112.7 128.8 -0.2 -11.8 83.7 33 34 A S S S+ 0 0 97 117,-0.5 2,-0.3 -2,-0.5 -1,-0.1 0.178 79.9 38.5 -88.3 19.0 0.4 -15.1 85.5 34 35 A A - 0 0 25 68,-0.1 114,-0.4 114,-0.1 2,-0.4 -0.984 61.9-152.7-160.5 158.9 2.2 -16.4 82.5 35 36 A L - 0 0 40 -2,-0.3 2,-0.8 112,-0.2 112,-0.2 -0.886 11.0-176.0-142.4 106.1 4.6 -15.4 79.7 36 37 A N + 0 0 73 110,-2.4 3,-0.2 -2,-0.4 111,-0.1 -0.763 33.2 132.6-107.5 86.8 4.4 -17.3 76.4 37 38 A L > + 0 0 34 -2,-0.8 3,-2.9 1,-0.1 -1,-0.2 0.439 38.6 109.4-108.0 -4.6 7.1 -16.0 74.1 38 39 A S T 3 + 0 0 123 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.694 66.0 68.3 -44.2 -30.1 8.3 -19.5 73.1 39 40 A A T 3 S- 0 0 54 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.870 98.0-160.4 -61.0 -34.0 6.9 -19.0 69.6 40 41 A G X - 0 0 26 -3,-2.9 3,-1.6 2,-0.1 5,-0.2 0.041 27.0 -27.7 80.5 171.8 9.6 -16.5 69.1 41 42 A A T 3 S+ 0 0 70 1,-0.2 26,-0.2 27,-0.1 25,-0.1 -0.335 126.1 27.9 -61.0 135.5 10.3 -13.5 66.8 42 43 A G T 3 S+ 0 0 50 24,-3.8 25,-0.3 1,-0.3 -1,-0.2 0.409 89.5 126.2 93.4 -2.5 8.7 -13.9 63.4 43 44 A S S < S- 0 0 17 -3,-1.6 2,-1.7 23,-0.3 -1,-0.3 -0.567 71.4-110.8 -88.5 154.4 5.8 -16.1 64.6 44 45 A P S S+ 0 0 80 0, 0.0 2,-0.4 0, 0.0 100,-0.1 -0.451 72.9 123.2 -83.5 65.4 2.2 -15.2 63.8 45 46 A N + 0 0 23 -2,-1.7 21,-2.0 98,-0.2 22,-0.5 -0.994 28.7 168.2-129.2 125.0 1.1 -14.4 67.4 46 47 A N E +GH 65 142B 25 96,-2.1 96,-2.0 -2,-0.4 95,-0.6 -0.940 5.7 178.8-142.4 113.2 -0.4 -11.0 68.2 47 48 A T E -GH 64 140B 0 17,-1.2 17,-2.6 -2,-0.4 2,-0.3 -0.889 12.6-157.7-114.2 147.5 -2.1 -10.1 71.5 48 49 A A E -GH 63 139B 1 91,-3.5 91,-1.6 -2,-0.3 2,-0.4 -0.930 14.9-163.3-130.3 152.5 -3.5 -6.6 72.3 49 50 A L E -GH 62 138B 1 13,-2.1 13,-2.8 -2,-0.3 2,-0.4 -0.997 20.7-168.7-129.0 132.0 -4.4 -4.5 75.3 50 51 A N E -GH 61 137B 3 87,-2.4 87,-1.6 -2,-0.4 2,-0.5 -0.967 22.6-156.6-132.6 144.7 -6.7 -1.4 74.9 51 52 A L E -GH 60 136B 1 9,-2.4 9,-1.7 -2,-0.4 8,-1.5 -0.977 29.1-167.4-112.6 121.3 -7.8 1.6 76.9 52 53 A L E -GH 58 135B 17 83,-2.9 82,-2.3 -2,-0.5 83,-1.5 -0.852 14.6-133.8-117.2 150.0 -11.1 2.9 75.5 53 54 A S > - 0 0 23 4,-2.2 3,-1.5 -2,-0.3 80,-0.1 -0.392 35.9-101.5 -90.4 173.5 -13.2 6.1 75.9 54 55 A E T 3 S+ 0 0 179 78,-0.4 -1,-0.1 1,-0.3 79,-0.1 0.789 123.7 56.5 -66.7 -26.9 -16.9 6.2 76.5 55 56 A N T 3 S- 0 0 129 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.435 123.9-105.6 -83.1 -0.1 -17.5 7.1 72.9 56 57 A G < + 0 0 32 -3,-1.5 -2,-0.1 1,-0.3 2,-0.1 0.563 69.8 148.2 89.3 8.6 -15.6 3.9 71.9 57 58 A A - 0 0 1 21,-0.1 -4,-2.2 1,-0.1 2,-1.1 -0.455 52.9-120.8 -76.0 150.4 -12.4 5.6 70.8 58 59 A Y E +GI 52 76B 52 18,-3.0 18,-1.5 -6,-0.2 3,-0.2 -0.800 32.6 176.1 -93.4 97.7 -9.1 3.7 71.2 59 60 A L E S+ 0 0 0 -8,-1.5 2,-0.3 -2,-1.1 69,-0.3 0.866 76.9 10.5 -69.1 -37.5 -7.1 6.1 73.5 60 61 A L E -G 51 0B 0 -9,-1.7 -9,-2.4 -3,-0.2 2,-0.5 -0.928 65.4-174.1-149.4 121.0 -4.3 3.6 73.7 61 62 A H E -GI 50 74B 29 13,-2.2 13,-1.5 -2,-0.3 2,-0.6 -0.968 8.5-167.2-113.5 122.3 -3.9 0.4 71.6 62 63 A I E -GI 49 73B 1 -13,-2.8 -13,-2.1 -2,-0.5 2,-0.5 -0.950 6.5-175.6-116.1 114.7 -1.0 -1.8 72.7 63 64 A A E -GI 48 72B 1 9,-2.5 9,-2.8 -2,-0.6 2,-1.0 -0.937 16.2-159.6-117.2 119.9 -0.1 -4.6 70.2 64 65 A F E -GI 47 71B 2 -17,-2.6 -17,-1.2 -2,-0.5 2,-0.8 -0.812 18.3-174.9 -94.4 98.5 2.6 -7.2 70.9 65 66 A R E >> +GI 46 70B 52 5,-2.3 5,-2.1 -2,-1.0 4,-0.6 -0.804 15.9 177.3-102.6 99.0 3.4 -8.4 67.4 66 67 A L T 45S+ 0 0 5 -21,-2.0 -24,-3.8 -2,-0.8 -23,-0.3 0.827 77.8 66.0 -65.9 -31.7 5.9 -11.3 67.5 67 68 A Q T 45S+ 0 0 114 -22,-0.5 -1,-0.2 -25,-0.3 -21,-0.1 0.937 116.7 25.3 -55.9 -51.4 5.7 -11.7 63.7 68 69 A E T 45S- 0 0 88 2,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.428 108.4-127.4 -91.6 -1.6 7.4 -8.3 63.1 69 70 A N T <5 + 0 0 42 -4,-0.6 21,-2.0 -26,-0.2 2,-0.3 0.928 69.4 112.4 54.5 51.1 9.1 -8.5 66.5 70 71 A V E < -IJ 65 89B 2 -5,-2.1 -5,-2.3 19,-0.2 2,-0.5 -0.962 64.3-132.2-146.4 159.6 7.8 -5.1 67.6 71 72 A I E -IJ 64 88B 0 17,-2.2 17,-1.7 -2,-0.3 2,-0.3 -0.988 31.2-155.0-114.6 122.9 5.4 -3.7 70.2 72 73 A V E -IJ 63 87B 2 -9,-2.8 -9,-2.5 -2,-0.5 2,-0.4 -0.785 11.4-166.0-105.0 145.8 3.1 -1.1 68.5 73 74 A F E +IJ 62 86B 1 13,-2.6 13,-2.9 -2,-0.3 2,-0.3 -0.996 26.1 139.1-128.5 128.3 1.3 1.8 70.1 74 75 A N E -I 61 0B 6 -13,-1.5 -13,-2.2 -2,-0.4 2,-0.3 -0.942 31.7-142.6-156.9 176.8 -1.5 3.7 68.3 75 76 A S E + 0 0 0 -2,-0.3 8,-2.4 -15,-0.2 2,-0.3 -0.962 15.0 176.8-144.8 158.6 -4.9 5.4 68.6 76 77 A R E -I 58 0B 50 -18,-1.5 -18,-3.0 -2,-0.3 6,-0.1 -0.959 26.6-119.8-164.6 148.4 -8.1 5.7 66.5 77 78 A Q > - 0 0 94 4,-0.4 3,-1.5 -2,-0.3 -20,-0.1 -0.392 54.8 -76.4 -81.8 164.6 -11.6 7.2 66.6 78 79 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 -0.369 116.6 2.8 -63.4 141.8 -14.7 4.9 66.2 79 80 A N T 3 S+ 0 0 170 1,-0.2 -22,-0.0 -3,-0.1 -2,-0.0 0.744 114.3 108.8 53.2 27.2 -15.3 3.8 62.6 80 81 A A S < S- 0 0 37 -3,-1.5 -1,-0.2 1,-0.0 2,-0.1 -0.812 74.0 -90.4-127.1 166.9 -12.1 5.6 61.6 81 82 A P - 0 0 105 0, 0.0 -4,-0.4 0, 0.0 -1,-0.0 -0.376 47.9 -91.7 -78.5 158.0 -8.6 4.6 60.5 82 83 A W - 0 0 112 -6,-0.1 -6,-0.2 1,-0.1 3,-0.1 -0.373 43.3-140.8 -64.3 145.0 -5.6 4.0 62.8 83 84 A L - 0 0 78 -8,-2.4 2,-0.6 1,-0.2 -1,-0.1 0.215 51.3 -31.0 -87.9-149.0 -3.5 7.1 63.3 84 85 A V - 0 0 94 1,-0.0 2,-0.3 -10,-0.0 -1,-0.2 -0.586 66.0-144.2 -75.1 116.1 0.3 7.5 63.5 85 86 A E - 0 0 71 -2,-0.6 2,-0.4 -3,-0.1 -11,-0.2 -0.585 6.9-153.6 -86.8 141.0 1.8 4.3 65.0 86 87 A Q E -J 73 0B 92 -13,-2.9 -13,-2.6 -2,-0.3 2,-0.3 -0.892 16.1-159.2-108.4 140.8 4.8 4.3 67.4 87 88 A R E -J 72 0B 114 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.913 18.1-166.1-127.9 152.2 7.0 1.2 67.5 88 89 A V E -J 71 0B 26 -17,-1.7 -17,-2.2 -2,-0.3 2,-0.1 -0.985 26.5-134.4-132.9 119.1 9.5 -0.4 69.9 89 90 A S E +J 70 0B 80 -2,-0.4 -19,-0.2 -19,-0.2 -20,-0.1 -0.342 69.8 32.9 -77.0 155.7 11.7 -3.2 68.5 90 91 A N > - 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