==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 26-JUN-12 4FQZ . COMPND 2 MOLECULE: GALECTIN-8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.YOSHIDA,S.KAMITORI . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 47.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 6 2.1 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 0.3 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 . 46 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.8 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 . 3 1.0 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 . 1 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 . 5 2 1 4 3 7 3 0 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 1 1 0 1 1 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 1 A M 0 0 54 0, 0.0 119,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.2 26.8 3.2 2.6 2 2 A M - 0 0 150 118,-0.1 2,-0.5 117,-0.1 104,-0.0 -0.990 360.0-124.9-137.0 143.5 24.8 2.5 -0.6 3 3 A L - 0 0 43 -2,-0.3 163,-0.1 1,-0.1 3,-0.1 -0.784 10.0-164.7 -95.4 124.3 24.0 4.7 -3.6 4 4 A S S S+ 0 0 43 -2,-0.5 162,-1.3 1,-0.2 163,-0.6 0.808 79.1 37.2 -71.4 -31.5 20.4 5.2 -4.6 5 5 A L E -A 165 0A 32 160,-0.2 2,-0.8 161,-0.1 160,-0.2 -0.974 68.0-144.9-131.1 139.9 21.3 6.5 -8.0 6 6 A N E +A 164 0A 75 158,-2.2 158,-2.0 -2,-0.4 -2,-0.0 -0.882 45.2 135.5-102.1 105.8 24.0 5.5 -10.5 7 7 A N + 0 0 30 -2,-0.8 2,-0.2 156,-0.2 -1,-0.1 -0.389 24.8 169.2-148.8 59.6 25.1 8.7 -12.2 8 8 A L - 0 0 43 1,-0.1 144,-0.2 144,-0.1 3,-0.1 -0.566 23.0-155.8 -81.3 140.2 28.9 8.6 -12.3 9 9 A Q S S+ 0 0 58 142,-3.3 2,-0.3 -2,-0.2 143,-0.1 0.971 75.0 24.6 -78.2 -64.6 30.8 11.1 -14.5 10 10 A N - 0 0 69 141,-0.2 141,-1.8 2,-0.0 2,-0.4 -0.798 67.2-174.0-104.2 149.7 34.1 9.5 -15.3 11 11 A I E -I 150 0B 66 -2,-0.3 2,-0.4 139,-0.2 139,-0.2 -0.992 5.5-167.9-143.9 135.5 34.7 5.8 -15.3 12 12 A I E -I 149 0B 44 137,-2.5 137,-1.5 -2,-0.4 2,-0.5 -0.987 10.6-151.3-126.0 133.1 37.9 3.8 -15.8 13 13 A Y E -I 148 0B 166 -2,-0.4 135,-0.2 135,-0.2 134,-0.1 -0.923 64.2 -17.4-111.7 134.5 38.0 0.1 -16.5 14 14 A N S S- 0 0 113 133,-2.4 -1,-0.2 -2,-0.5 133,-0.2 0.846 71.9-168.6 50.1 49.1 40.8 -2.3 -15.6 15 15 A P - 0 0 19 0, 0.0 131,-0.4 0, 0.0 2,-0.3 -0.353 26.2-110.3 -65.2 149.1 43.6 0.1 -14.9 16 16 A V - 0 0 116 2,-0.1 129,-0.1 129,-0.1 -2,-0.0 -0.622 43.3 -93.3 -81.8 139.1 47.0 -1.5 -14.6 17 17 A I S S+ 0 0 55 -2,-0.3 124,-0.1 1,-0.2 2,-0.1 -0.801 113.5 46.0 -98.2 135.2 48.6 -1.6 -11.2 18 18 A P S S+ 0 0 91 0, 0.0 2,-0.5 0, 0.0 123,-0.2 0.407 88.7 176.4 -71.5 134.6 50.5 0.4 -10.2 19 19 A F E +N 140 0C 51 121,-2.3 121,-2.8 -4,-0.1 2,-0.5 -0.944 15.3 179.5-114.3 130.5 48.1 3.0 -11.6 20 20 A V E +N 139 0C 64 -2,-0.5 2,-0.3 119,-0.2 119,-0.2 -0.926 16.7 167.0-131.7 107.1 48.6 6.7 -11.2 21 21 A G E -N 138 0C 14 117,-2.6 117,-3.7 -2,-0.5 2,-0.3 -0.905 37.3-107.8-127.3 151.6 45.9 8.8 -12.8 22 22 A T E -N 137 0C 112 -2,-0.3 115,-0.3 115,-0.3 114,-0.0 -0.560 33.6-121.2 -75.1 133.4 44.7 12.4 -12.8 23 23 A I - 0 0 11 113,-2.2 -1,-0.1 -2,-0.3 4,-0.0 -0.619 20.5-139.9 -72.2 123.0 41.4 13.1 -11.0 24 24 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.499 76.2 17.6 -69.9 -1.0 39.2 14.7 -13.7 25 25 A D S S- 0 0 72 111,-0.0 2,-0.2 3,-0.0 -2,-0.0 -0.970 92.4 -76.5-157.0 172.3 37.7 17.3 -11.3 26 26 A Q - 0 0 81 -2,-0.3 2,-2.1 1,-0.1 128,-0.3 -0.533 39.5-124.3 -76.2 139.5 38.2 19.0 -8.0 27 27 A L + 0 0 3 108,-0.4 3,-0.1 105,-0.4 -1,-0.1 -0.475 45.4 169.7 -82.8 67.5 37.3 17.1 -4.9 28 28 A D > - 0 0 61 -2,-2.1 3,-1.7 1,-0.2 81,-0.2 -0.392 50.2 -71.7 -73.7 158.7 34.8 19.6 -3.6 29 29 A P T 3 S+ 0 0 72 0, 0.0 81,-0.2 0, 0.0 -1,-0.2 -0.211 122.8 33.7 -53.6 139.0 32.7 18.4 -0.7 30 30 A G T 3 S+ 0 0 51 79,-4.1 80,-0.1 1,-0.3 2,-0.1 0.237 85.6 139.4 98.4 -12.3 30.0 15.9 -1.6 31 31 A T < - 0 0 1 -3,-1.7 78,-2.8 78,-0.3 2,-0.4 -0.352 38.5-150.6 -66.9 141.1 32.3 14.3 -4.3 32 32 A L E -JK 108 152B 18 120,-2.3 120,-1.7 76,-0.2 2,-0.5 -0.930 15.3-169.0-119.6 141.3 32.3 10.5 -4.6 33 33 A I E -JK 107 151B 2 74,-2.2 74,-2.9 -2,-0.4 2,-0.5 -0.999 11.2-166.1-121.6 125.5 34.9 8.1 -5.7 34 34 A V E -JK 106 150B 9 116,-2.7 116,-2.0 -2,-0.5 2,-0.5 -0.968 4.3-172.2-115.6 124.0 33.7 4.5 -6.2 35 35 A I E -JK 105 149B 0 70,-3.0 70,-3.4 -2,-0.5 2,-0.4 -0.965 1.4-174.1-120.6 121.0 36.3 1.8 -6.5 36 36 A R E +JK 104 148B 123 112,-3.1 111,-2.8 -2,-0.5 112,-2.2 -0.957 29.6 103.5-117.5 131.4 35.4 -1.7 -7.5 37 37 A G E -JK 103 146B 1 66,-2.1 66,-3.3 -2,-0.4 2,-0.3 -0.886 51.5-109.8-172.1-159.1 37.8 -4.6 -7.5 38 38 A H E -JK 102 145B 55 107,-2.3 107,-2.6 64,-0.3 64,-0.2 -0.987 23.3-116.1-155.1 153.3 38.9 -7.7 -5.7 39 39 A V B -u 99 0D 0 62,-1.8 61,-3.3 59,-0.5 62,-0.5 -0.839 31.7-122.8-100.7 128.4 42.0 -8.8 -3.7 40 40 A P > - 0 0 32 0, 0.0 3,-2.0 0, 0.0 61,-0.1 -0.240 27.1-107.4 -63.7 156.0 44.1 -11.7 -5.0 41 41 A S T 3 S+ 0 0 66 1,-0.3 58,-0.1 58,-0.2 -2,-0.0 0.669 119.2 50.4 -58.8 -19.9 44.7 -14.8 -2.9 42 42 A D T 3 S+ 0 0 87 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.039 77.4 144.0-109.1 27.4 48.3 -13.7 -2.3 43 43 A A < + 0 0 0 -3,-2.0 3,-0.1 1,-0.2 56,-0.1 -0.525 20.1 170.3 -72.7 119.8 47.6 -10.1 -1.2 44 44 A D S S- 0 0 90 1,-0.4 26,-1.9 -2,-0.4 2,-0.3 0.800 71.4 -37.8 -92.9 -36.9 49.9 -8.8 1.5 45 45 A R B -O 69 0C 76 24,-0.2 98,-2.6 2,-0.0 -1,-0.4 -0.940 52.6-170.3-177.7 158.4 48.6 -5.3 1.1 46 46 A F E -P 142 0C 1 22,-1.6 2,-0.3 96,-0.3 96,-0.3 -0.937 15.0-149.7-149.9 166.2 47.4 -2.7 -1.4 47 47 A Q E -P 141 0C 18 94,-2.7 94,-2.0 -2,-0.3 2,-0.6 -1.000 15.8-150.9-150.6 147.7 46.7 1.0 -1.1 48 48 A V E -PQ 140 66C 2 18,-2.8 18,-2.3 -2,-0.3 2,-0.5 -0.978 27.5-170.8-114.2 115.1 44.5 3.8 -2.5 49 49 A D E -PQ 139 65C 0 90,-3.2 90,-2.8 -2,-0.6 2,-0.7 -0.932 19.2-153.6-115.0 128.7 46.3 7.1 -2.3 50 50 A L E -PQ 138 64C 1 14,-2.3 14,-1.5 -2,-0.5 13,-1.1 -0.899 34.6-173.8 -95.8 118.2 44.8 10.5 -2.9 51 51 A Q E -PQ 137 62C 9 86,-3.1 86,-2.2 -2,-0.7 85,-2.0 -0.792 38.5-128.9-121.8 158.7 47.9 12.6 -4.0 52 52 A N S S- 0 0 62 9,-2.2 9,-0.4 -2,-0.3 3,-0.2 -0.892 88.3 -29.3 -98.1 97.2 48.9 16.2 -4.8 53 53 A G S S- 0 0 21 -2,-0.9 84,-0.1 1,-0.1 83,-0.1 -0.101 70.7 -99.7 83.1 179.9 50.7 15.5 -8.1 54 54 A S + 0 0 79 -3,-0.1 -1,-0.1 82,-0.1 5,-0.0 0.156 63.7 136.0-129.8 19.2 52.5 12.4 -9.3 55 55 A S > - 0 0 63 -3,-0.2 5,-2.4 1,-0.1 -3,-0.1 -0.345 34.2-165.5 -64.7 147.3 56.2 13.0 -8.8 56 56 A M B 5 +V 59 0E 173 1,-0.3 3,-0.4 3,-0.3 -1,-0.1 0.432 69.9 71.1-114.5 -1.3 58.1 10.1 -7.3 57 57 A K T 5S+ 0 0 144 1,-0.9 -1,-0.3 2,-0.1 2,-0.2 -0.712 113.0 22.4-157.7 96.8 61.3 12.0 -6.4 58 58 A P T 5S- 0 0 83 0, 0.0 -1,-0.9 0, 0.0 2,-0.2 0.541 119.3-115.0 -64.2 152.3 60.5 13.7 -4.1 59 59 A R B 5 -V 56 0E 95 -3,-0.4 25,-0.4 -2,-0.2 -3,-0.3 -0.445 37.6-106.3 -62.5 128.2 57.7 11.3 -3.5 60 60 A A < - 0 0 11 -5,-2.4 -7,-0.1 -2,-0.2 -1,-0.1 -0.290 40.7 -95.3 -57.4 138.6 54.5 13.3 -4.1 61 61 A D - 0 0 42 -9,-0.4 -9,-2.2 1,-0.1 2,-0.7 -0.285 33.0-144.0 -57.3 134.6 52.5 14.2 -0.9 62 62 A V E -QR 51 81C 1 19,-1.2 19,-2.0 -11,-0.2 3,-0.3 -0.871 15.6-175.1-108.7 100.1 49.8 11.8 -0.1 63 63 A A E S+ 0 0 1 -13,-1.1 2,-0.4 -2,-0.7 66,-0.4 0.855 80.8 20.6 -58.8 -40.1 46.7 13.6 1.4 64 64 A F E -Q 50 0C 1 -14,-1.5 -14,-2.3 64,-0.1 2,-0.7 -0.921 67.2-170.3-139.5 109.6 44.9 10.4 2.1 65 65 A H E -QR 49 79C 6 14,-2.5 14,-1.1 -2,-0.4 2,-0.7 -0.883 5.3-175.8-103.2 109.1 46.7 7.0 2.4 66 66 A F E +QR 48 78C 0 -18,-2.3 -18,-2.8 -2,-0.7 12,-0.2 -0.906 10.6 175.1-107.4 106.7 44.1 4.2 2.5 67 67 A N E - R 0 77C 0 10,-2.8 10,-2.3 -2,-0.7 2,-0.2 -0.733 15.5-165.4-126.0 86.4 46.1 1.0 3.1 68 68 A P E - R 0 76C 0 0, 0.0 -22,-1.6 0, 0.0 2,-0.4 -0.478 13.2-168.2 -68.1 129.0 44.4 -2.4 3.6 69 69 A R E -OR 45 75C 66 6,-2.6 6,-1.9 -2,-0.2 2,-0.6 -0.963 14.2-138.8-123.6 138.5 46.7 -5.0 5.0 70 70 A F + 0 0 24 -26,-1.9 2,-0.3 -2,-0.4 28,-0.1 -0.856 47.2 117.0-104.4 118.6 46.0 -8.7 5.2 71 71 A K S S- 0 0 98 -2,-0.6 -2,-0.0 1,-0.0 -27,-0.0 -0.888 79.8 -63.2-159.5-176.0 47.1 -10.5 8.4 72 72 A R S S+ 0 0 235 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.892 138.3 26.6 -49.4 -45.1 45.8 -12.4 11.4 73 73 A A S S- 0 0 42 21,-0.0 22,-0.5 -3,-0.0 21,-0.4 0.894 98.2-154.5 -86.1 -43.6 44.0 -9.3 12.5 74 74 A G + 0 0 4 20,-0.1 21,-0.8 19,-0.1 20,-0.7 0.611 22.8 162.0 72.5 126.2 43.5 -7.6 9.2 75 75 A C E -RS 69 93C 0 -6,-1.9 -6,-2.6 18,-0.2 2,-0.5 -0.919 40.4-109.0-160.9-178.1 43.1 -3.9 9.1 76 76 A I E -RS 68 92C 0 16,-2.1 16,-2.5 -2,-0.3 2,-0.5 -0.986 27.4-156.3-128.8 119.4 43.2 -0.6 7.1 77 77 A V E -RS 67 91C 0 -10,-2.3 -10,-2.8 -2,-0.5 2,-0.4 -0.829 12.8-171.3 -96.5 131.0 46.1 1.7 7.9 78 78 A C E +RS 66 90C 2 12,-2.1 12,-2.6 -2,-0.5 2,-0.3 -0.944 18.9 133.6-123.7 146.6 45.4 5.4 7.1 79 79 A N E -R 65 0C 4 -14,-1.1 -14,-2.5 -2,-0.4 2,-0.3 -0.932 41.5-111.8-167.8-173.8 47.9 8.2 7.2 80 80 A T E - 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