==== 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 18-NOV-11 3VKL . COMPND 2 MOLECULE: GALECTIN-8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.KAMITORI,H.YOSHIDA . 578 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 73.0 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 49.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 12 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 . 2 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 . 88 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 10 3 0 9 6 12 9 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 0 4 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 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 3 A L 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -89.9 -15.9 -20.3 11.3 2 4 A S - 0 0 95 4,-0.0 0, 0.0 0, 0.0 0, 0.0 0.899 360.0 -35.7-104.5 -69.0 -17.8 -21.9 8.3 3 5 A L S > S+ 0 0 103 2,-0.1 3,-1.4 3,-0.0 0, 0.0 0.633 116.2 69.6-135.3 -30.5 -16.2 -22.3 4.9 4 6 A N T 3 S+ 0 0 47 1,-0.3 152,-0.4 156,-0.1 157,-0.0 0.602 100.9 59.5 -68.2 -8.3 -13.9 -19.5 3.9 5 7 A N T 3 S+ 0 0 47 150,-0.1 2,-0.3 145,-0.0 -1,-0.3 0.566 85.0 94.2 -96.4 -9.0 -11.6 -20.8 6.6 6 8 A L < - 0 0 27 -3,-1.4 150,-0.4 1,-0.1 144,-0.2 -0.614 43.5-176.3 -88.8 142.4 -11.1 -24.4 5.2 7 9 A Q S S+ 0 0 25 142,-1.8 2,-0.3 1,-0.3 -1,-0.1 0.569 80.9 23.5-103.9 -17.9 -8.2 -25.4 3.1 8 10 A N E +A 149 0A 61 141,-0.9 141,-2.4 2,-0.0 2,-0.3 -0.983 63.4 175.5-150.9 136.6 -9.6 -28.9 2.6 9 11 A I E -A 148 0A 57 -2,-0.3 2,-0.4 139,-0.2 139,-0.2 -0.970 9.2-163.4-147.5 129.9 -13.0 -30.5 2.8 10 12 A I E -A 147 0A 56 137,-2.3 137,-1.8 -2,-0.3 2,-0.4 -0.905 9.4-153.2-115.3 134.6 -14.3 -34.0 2.1 11 13 A Y E -A 146 0A 140 -2,-0.4 135,-0.2 135,-0.2 134,-0.1 -0.890 63.5 -9.2-109.3 140.8 -18.0 -35.0 1.6 12 14 A N - 0 0 115 133,-2.0 -1,-0.2 -2,-0.4 133,-0.1 0.839 68.1-173.9 49.4 52.0 -19.7 -38.3 2.2 13 15 A P - 0 0 17 0, 0.0 131,-0.4 0, 0.0 2,-0.3 -0.494 30.4-110.3 -73.0 149.0 -16.8 -40.6 3.0 14 16 A V - 0 0 115 2,-0.1 129,-0.0 -2,-0.1 -2,-0.0 -0.598 45.0 -90.7 -81.3 140.4 -17.9 -44.3 3.3 15 17 A I S S+ 0 0 49 -2,-0.3 124,-0.1 127,-0.1 2,-0.1 -0.817 115.1 46.4 -98.3 131.1 -17.7 -45.7 6.8 16 18 A P S S+ 0 0 89 0, 0.0 2,-0.4 0, 0.0 123,-0.2 0.400 87.2 179.7 -69.2 139.0 -15.3 -47.1 7.8 17 19 A F E +F 138 0B 53 121,-2.2 121,-2.2 -4,-0.1 2,-0.4 -0.941 13.8 179.5-114.5 134.6 -13.2 -44.3 6.4 18 20 A V E +F 137 0B 70 -2,-0.4 2,-0.3 119,-0.2 119,-0.2 -0.879 19.4 159.8-135.9 103.6 -9.4 -44.1 6.8 19 21 A G E -F 136 0B 14 117,-2.2 117,-2.9 -2,-0.4 2,-0.3 -0.925 41.5-107.1-133.3 152.1 -7.8 -41.1 5.2 20 22 A T E -F 135 0B 115 -2,-0.3 115,-0.3 115,-0.2 114,-0.0 -0.535 33.7-123.9 -73.2 133.1 -4.6 -39.0 5.3 21 23 A I - 0 0 9 113,-2.3 -1,-0.1 -2,-0.3 4,-0.1 -0.633 21.0-135.5 -72.8 126.0 -4.9 -35.6 6.9 22 24 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.580 78.3 15.5 -68.1 -4.1 -3.7 -33.2 4.2 23 25 A D S S- 0 0 69 111,-0.0 2,-0.1 3,-0.0 -2,-0.0 -0.966 95.1 -71.9-156.2 170.4 -1.5 -31.2 6.6 24 26 A Q - 0 0 91 -2,-0.3 2,-2.2 1,-0.1 107,-0.1 -0.369 43.1-118.3 -68.5 144.3 0.1 -31.3 10.0 25 27 A L + 0 0 1 105,-0.6 -1,-0.1 108,-0.5 108,-0.1 -0.528 49.9 175.1 -82.6 74.2 -2.1 -30.9 13.1 26 28 A D > - 0 0 66 -2,-2.2 3,-2.3 1,-0.1 81,-0.2 -0.491 42.8 -77.2 -81.5 154.0 -0.5 -27.7 14.3 27 29 A P T 3 S+ 0 0 49 0, 0.0 81,-0.2 0, 0.0 -1,-0.1 -0.214 123.2 30.4 -50.9 132.0 -1.7 -25.7 17.3 28 30 A G T 3 S+ 0 0 37 79,-3.5 80,-0.1 1,-0.4 2,-0.1 0.279 88.3 143.1 98.7 -8.9 -4.8 -23.7 16.3 29 31 A T < - 0 0 0 -3,-2.3 78,-3.1 78,-0.3 2,-0.4 -0.404 37.1-152.7 -66.2 137.6 -5.7 -26.4 13.8 30 32 A L E -BC 106 150A 45 120,-2.0 120,-2.1 76,-0.2 2,-0.5 -0.955 12.9-171.2-118.7 132.9 -9.4 -27.0 13.4 31 33 A I E -BC 105 149A 0 74,-2.8 74,-2.9 -2,-0.4 2,-0.5 -0.980 11.0-165.8-120.3 119.6 -11.1 -30.2 12.3 32 34 A V E -BC 104 148A 31 116,-2.4 116,-2.1 -2,-0.5 2,-0.5 -0.924 4.7-173.2-113.3 123.4 -14.8 -29.9 11.8 33 35 A I E -BC 103 147A 1 70,-3.2 70,-4.0 -2,-0.5 2,-0.4 -0.952 2.0-176.7-120.6 120.3 -17.0 -33.0 11.5 34 36 A R E +BC 102 146A 113 112,-2.5 111,-2.3 -2,-0.5 112,-2.1 -0.934 29.4 101.4-116.2 135.8 -20.7 -32.8 10.5 35 37 A G E -BC 101 144A 1 66,-2.0 66,-3.1 -2,-0.4 2,-0.3 -0.909 53.7 -99.7-176.5-156.8 -23.1 -35.7 10.3 36 38 A H E -BC 100 143A 58 107,-2.3 107,-2.5 64,-0.3 64,-0.2 -0.993 22.7-116.4-152.4 155.1 -25.8 -37.6 12.1 37 39 A V - 0 0 0 62,-1.9 61,-2.5 59,-0.5 62,-0.4 -0.821 34.5-124.3 -96.0 125.6 -26.3 -40.6 14.3 38 40 A P > - 0 0 31 0, 0.0 3,-1.8 0, 0.0 61,-0.1 -0.247 25.2-108.5 -64.8 156.8 -28.5 -43.4 12.9 39 41 A S T 3 S+ 0 0 68 1,-0.3 58,-0.1 58,-0.2 -2,-0.0 0.727 118.3 47.8 -59.8 -25.3 -31.5 -44.6 14.9 40 42 A D T 3 S+ 0 0 99 57,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.182 81.1 144.3-102.0 16.2 -29.9 -47.9 15.8 41 43 A A < + 0 0 0 -3,-1.8 3,-0.1 1,-0.2 56,-0.1 -0.356 18.0 164.4 -64.2 124.4 -26.6 -46.4 16.8 42 44 A D - 0 0 76 1,-0.4 26,-2.7 -2,-0.2 2,-0.3 0.715 69.5 -21.8-103.5 -35.1 -24.8 -48.2 19.7 43 45 A R B +G 67 0B 79 24,-0.2 98,-2.3 2,-0.0 -1,-0.4 -0.967 52.0 179.8-173.0 150.8 -21.4 -46.5 19.2 44 46 A F E -H 140 0B 0 22,-1.8 2,-0.3 -2,-0.3 96,-0.2 -0.945 15.0-152.2-149.6 167.3 -19.1 -44.7 16.7 45 47 A Q E -H 139 0B 24 94,-2.6 94,-1.9 -2,-0.3 2,-0.5 -1.000 15.6-152.2-152.0 147.5 -15.6 -43.3 16.9 46 48 A V E -HI 138 64B 1 18,-2.8 18,-2.4 -2,-0.3 2,-0.5 -0.981 25.1-170.8-116.6 115.1 -13.3 -40.6 15.5 47 49 A D E -HI 137 63B 0 90,-3.0 90,-2.8 -2,-0.5 2,-0.8 -0.932 17.8-157.4-115.4 122.2 -9.6 -41.7 15.8 48 50 A L E -HI 136 62B 0 14,-2.5 14,-1.9 -2,-0.5 13,-0.9 -0.872 34.8-175.2 -95.0 113.5 -6.7 -39.4 15.0 49 51 A Q E -HI 135 60B 8 86,-3.0 86,-2.0 -2,-0.8 85,-1.8 -0.731 39.0-124.8-116.3 159.2 -3.9 -42.0 14.2 50 52 A N S S- 0 0 67 9,-2.4 9,-0.5 -2,-0.3 3,-0.2 -0.859 89.6 -28.8 -97.2 98.8 -0.3 -42.2 13.4 51 53 A G S S- 0 0 17 -2,-1.0 84,-0.1 1,-0.1 83,-0.1 -0.207 70.7-102.2 83.2-179.1 -0.5 -44.1 10.2 52 54 A S + 0 0 76 -3,-0.1 -1,-0.1 -34,-0.1 5,-0.0 0.185 60.1 143.9-132.4 16.8 -3.2 -46.6 9.0 53 55 A S > - 0 0 62 -3,-0.2 5,-3.2 1,-0.1 -3,-0.1 -0.270 32.9-164.2 -60.5 142.6 -1.6 -50.0 9.5 54 56 A M B > 5S+M 57 0C 179 3,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.452 72.2 70.6-106.2 -2.0 -4.0 -52.8 10.7 55 57 A K T 3 5S+ 0 0 192 1,-1.0 -1,-0.3 2,-0.0 2,-0.2 -0.671 117.5 14.7-162.1 96.4 -1.2 -55.2 11.8 56 58 A P T 3 5S- 0 0 80 0, 0.0 -1,-1.0 0, 0.0 3,-0.1 0.559 116.8-114.6 -70.0 153.6 0.0 -54.1 14.1 57 59 A R B < 5 -M 54 0C 90 -3,-0.5 25,-0.3 -2,-0.2 -3,-0.3 -0.367 38.6-103.5 -58.5 128.8 -2.9 -51.8 14.5 58 60 A A < - 0 0 10 -5,-3.2 -7,-0.1 1,-0.1 -1,-0.1 -0.211 41.6 -94.1 -56.6 140.6 -1.7 -48.2 14.0 59 61 A D - 0 0 44 -9,-0.5 -9,-2.4 -3,-0.1 2,-0.7 -0.278 33.1-143.7 -55.2 139.1 -1.3 -46.1 17.2 60 62 A V E -IJ 49 79B 0 19,-1.1 19,-2.0 -11,-0.2 3,-0.3 -0.885 15.1-174.2-111.8 99.7 -4.3 -44.0 17.9 61 63 A A E S+ 0 0 3 -13,-0.9 2,-0.4 -2,-0.7 66,-0.3 0.907 79.6 16.9 -58.3 -42.8 -3.2 -40.7 19.4 62 64 A F E -I 48 0B 0 -14,-1.9 -14,-2.5 16,-0.1 2,-0.6 -0.913 66.0-169.9-141.5 110.3 -6.8 -39.6 20.1 63 65 A H E -IJ 47 77B 9 14,-2.4 14,-1.2 -2,-0.4 2,-0.7 -0.888 4.5-171.7-100.3 115.6 -9.7 -41.9 20.3 64 66 A F E +IJ 46 76B 0 -18,-2.4 -18,-2.8 -2,-0.6 12,-0.2 -0.932 12.1 176.3-109.4 107.6 -13.1 -40.0 20.5 65 67 A N E - J 0 75B 0 10,-2.4 10,-3.3 -2,-0.7 2,-0.2 -0.756 15.4-165.1-125.9 89.1 -15.8 -42.6 21.1 66 68 A P E - J 0 74B 0 0, 0.0 -22,-1.8 0, 0.0 2,-0.4 -0.508 14.5-164.9 -68.0 132.6 -19.4 -41.6 21.7 67 69 A R E -GJ 43 73B 67 6,-3.2 6,-1.8 -2,-0.2 2,-0.6 -0.952 11.0-143.2-122.0 143.8 -21.4 -44.4 23.1 68 70 A F + 0 0 23 -26,-2.7 2,-0.3 -2,-0.4 4,-0.1 -0.912 45.4 116.1-113.7 110.3 -25.2 -44.6 23.3 69 71 A K S S- 0 0 96 -2,-0.6 3,-0.4 4,-0.0 -2,-0.1 -0.907 83.1 -65.3-155.1 175.5 -26.7 -46.2 26.4 70 72 A R S S+ 0 0 264 1,-0.3 2,-0.7 -2,-0.3 -2,-0.0 0.822 137.1 38.0 -37.8 -43.2 -29.0 -45.2 29.3 71 73 A A S S- 0 0 52 21,-0.0 -1,-0.3 20,-0.0 -4,-0.1 -0.768 95.4-151.7-112.4 80.8 -26.2 -42.8 30.4 72 74 A G + 0 0 16 -2,-0.7 21,-1.0 -3,-0.4 20,-0.9 -0.174 28.0 156.1 -52.2 146.5 -24.9 -41.6 27.1 73 75 A C E -JK 67 91B 1 -6,-1.8 -6,-3.2 18,-0.2 2,-0.4 -0.932 41.6-113.6-160.4 178.7 -21.2 -40.7 27.2 74 76 A I E -JK 66 90B 0 16,-2.5 16,-2.8 -2,-0.3 2,-0.5 -0.991 24.8-152.8-128.7 119.9 -18.1 -40.2 25.2 75 77 A V E -JK 65 89B 3 -10,-3.3 -10,-2.4 -2,-0.4 2,-0.4 -0.841 14.0-172.8 -99.0 126.2 -15.1 -42.5 25.8 76 78 A C E +JK 64 88B 2 12,-2.4 12,-2.6 -2,-0.5 2,-0.3 -0.919 16.7 137.5-118.9 143.3 -11.6 -41.1 25.1 77 79 A N E -J 63 0B 7 -14,-1.2 -14,-2.4 -2,-0.4 2,-0.4 -0.973 39.6-117.6-167.5 176.0 -8.3 -42.9 25.2 78 80 A T E - 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