==== 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 3VKO . COMPND 2 MOLECULE: GALECTIN-8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.KAMITORI,H.YOSHIDA . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 72.1 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 . 149 50.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 2.0 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 . 3 1.0 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 . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.1 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+4), 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 . 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 . 5 2 2 3 3 7 4 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 1 1 2 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 7 A N 0 0 166 0, 0.0 146,-0.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0-155.1 8.2 5.5 20.7 2 8 A L E -A 146 0A 58 144,-0.2 2,-0.6 145,-0.1 144,-0.2 -0.750 360.0-172.3 -91.8 122.9 10.8 5.7 17.8 3 9 A Q E -A 145 0A 136 142,-3.6 142,-1.3 -2,-0.6 2,-0.1 -0.871 13.9-150.7-115.6 97.2 14.2 4.1 18.4 4 10 A N E -A 144 0A 45 -2,-0.6 140,-0.3 140,-0.3 151,-0.3 -0.409 7.2-163.5 -65.1 137.7 16.6 4.9 15.6 5 11 A I E S- 0 0 37 138,-2.2 2,-0.2 1,-0.3 139,-0.2 0.501 70.0 -1.6-100.2 -7.1 19.2 2.2 14.9 6 12 A I E -A 143 0A 6 137,-1.0 137,-1.7 148,-0.1 2,-0.3 -0.876 57.3-143.5-179.5 147.2 21.5 4.5 12.9 7 13 A Y E S-AB 142 153A 78 146,-1.4 146,-1.4 -2,-0.2 145,-0.6 -0.905 80.0 -5.0-119.7 147.5 22.1 7.9 11.5 8 14 A N S S- 0 0 52 133,-2.1 144,-1.6 -2,-0.3 -1,-0.2 0.863 84.1-169.2 38.6 51.4 23.7 9.0 8.2 9 15 A P - 0 0 7 0, 0.0 131,-0.5 0, 0.0 2,-0.2 -0.403 26.6-104.8 -71.3 148.2 24.6 5.4 7.4 10 16 A V - 0 0 29 2,-0.1 129,-0.0 -2,-0.1 141,-0.0 -0.498 53.2 -93.3 -69.0 136.8 27.0 4.7 4.5 11 17 A I S S+ 0 0 40 -2,-0.2 124,-0.1 1,-0.1 2,-0.1 -0.848 110.2 50.8-102.2 137.7 25.1 3.3 1.5 12 18 A P S S- 0 0 91 0, 0.0 2,-0.4 0, 0.0 123,-0.2 0.313 84.2-176.4 -67.3 136.5 24.6 0.4 0.9 13 19 A F E +G 134 0B 19 121,-2.4 121,-2.9 -4,-0.1 2,-0.4 -0.904 14.2 179.5-111.4 135.3 23.4 -0.1 4.4 14 20 A V E +G 133 0B 66 -2,-0.4 2,-0.3 119,-0.2 119,-0.2 -0.959 15.0 166.3-134.6 113.2 22.4 -3.5 5.8 15 21 A G E -G 132 0B 11 117,-3.1 117,-3.2 -2,-0.4 2,-0.3 -0.914 35.3-113.7-130.4 157.8 21.2 -3.6 9.4 16 22 A T E -G 131 0B 106 -2,-0.3 115,-0.3 115,-0.2 114,-0.0 -0.681 31.1-122.7 -88.1 139.9 19.4 -6.0 11.7 17 23 A I - 0 0 16 113,-3.8 4,-0.1 -2,-0.3 -1,-0.0 -0.753 15.1-143.3 -85.5 121.2 15.9 -5.1 13.0 18 24 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.727 76.8 19.5 -54.2 -31.8 15.9 -5.0 16.8 19 25 A D S S- 0 0 96 3,-0.0 2,-0.1 -3,-0.0 -2,-0.0 -0.947 92.6 -81.1-141.9 163.4 12.4 -6.4 17.2 20 26 A Q - 0 0 92 -2,-0.3 2,-2.3 1,-0.1 107,-0.1 -0.363 41.6-118.0 -66.5 138.9 9.8 -8.4 15.3 21 27 A L + 0 0 2 108,-0.5 -1,-0.1 105,-0.4 3,-0.1 -0.499 46.7 175.9 -76.9 75.7 7.7 -6.4 12.8 22 28 A D > - 0 0 84 -2,-2.3 3,-2.5 1,-0.2 81,-0.2 -0.489 47.2 -77.9 -79.3 152.4 4.3 -7.0 14.6 23 29 A P T 3 S+ 0 0 83 0, 0.0 81,-0.2 0, 0.0 -1,-0.2 -0.246 124.9 39.8 -49.8 135.1 1.2 -5.3 13.2 24 30 A G T 3 S+ 0 0 52 79,-3.1 2,-0.2 1,-0.4 80,-0.1 0.131 84.7 131.3 108.3 -18.5 1.4 -1.8 14.5 25 31 A T < - 0 0 2 -3,-2.5 78,-2.5 78,-0.4 -1,-0.4 -0.455 42.1-155.0 -71.4 136.0 5.1 -1.4 13.9 26 32 A L E -CD 102 146A 56 120,-2.4 120,-2.4 76,-0.2 2,-0.5 -0.886 7.0-159.1-113.9 144.8 6.3 1.7 12.1 27 33 A I E -CD 101 145A 0 74,-2.1 74,-2.7 -2,-0.4 2,-0.6 -0.984 11.7-165.6-122.2 116.8 9.5 2.0 10.1 28 34 A V E +CD 100 144A 14 116,-2.3 116,-2.5 -2,-0.5 2,-0.5 -0.919 8.8 177.9-110.7 122.7 10.7 5.6 9.6 29 35 A I E -CD 99 143A 0 70,-2.8 70,-3.9 -2,-0.6 2,-0.5 -0.972 6.5-169.5-126.2 119.0 13.3 6.5 7.1 30 36 A R E +CD 98 142A 121 112,-2.2 111,-3.1 -2,-0.5 112,-2.0 -0.901 28.1 127.0-108.3 133.5 14.5 10.0 6.4 31 37 A G E -CD 97 140A 0 66,-2.8 66,-2.5 -2,-0.5 2,-0.3 -0.828 44.8-112.9-158.8-162.6 16.7 10.8 3.4 32 38 A H E -CD 96 139A 41 107,-2.8 107,-3.0 64,-0.3 64,-0.2 -0.985 20.3-130.0-152.8 140.1 17.4 12.7 0.3 33 39 A V - 0 0 0 62,-2.0 61,-3.2 59,-0.4 62,-0.5 -0.840 27.6-131.3 -97.1 116.4 17.6 11.8 -3.5 34 40 A P > - 0 0 22 0, 0.0 3,-1.7 0, 0.0 61,-0.1 -0.247 21.3-114.4 -62.7 153.7 20.8 13.0 -5.2 35 41 A S T 3 S+ 0 0 71 1,-0.3 58,-0.1 58,-0.2 -2,-0.0 0.731 115.2 50.4 -62.3 -26.2 20.4 14.8 -8.5 36 42 A D T 3 S+ 0 0 99 2,-0.0 -1,-0.3 57,-0.0 2,-0.2 0.238 83.3 137.5 -97.0 14.2 22.1 12.1 -10.5 37 43 A A < + 0 0 0 -3,-1.7 3,-0.1 1,-0.2 56,-0.1 -0.383 28.3 174.7 -67.8 131.0 19.9 9.4 -9.0 38 44 A D - 0 0 69 1,-0.4 26,-3.1 -2,-0.2 27,-0.5 0.777 67.6 -37.9 -99.2 -39.0 18.5 6.7 -11.3 39 45 A R B -H 63 0B 70 24,-0.2 98,-2.3 25,-0.1 -1,-0.4 -0.976 50.0-166.0-174.5 167.9 17.0 4.6 -8.5 40 46 A F E -I 136 0B 0 22,-1.7 2,-0.3 -2,-0.3 96,-0.3 -0.962 12.8-146.2-159.9 163.0 17.3 3.3 -5.0 41 47 A Q E -I 135 0B 20 94,-2.6 94,-2.0 -2,-0.3 2,-0.5 -0.990 13.5-155.8-144.7 151.8 15.6 0.6 -2.9 42 48 A V E -IJ 134 60B 1 18,-2.1 18,-2.9 -2,-0.3 2,-0.5 -0.996 25.0-169.5-120.8 119.7 14.6 -0.2 0.6 43 49 A D E -IJ 133 59B 0 90,-2.9 90,-2.2 -2,-0.5 2,-0.8 -0.961 19.4-151.6-120.4 125.5 14.3 -4.0 1.2 44 50 A L E -IJ 132 58B 0 14,-2.6 13,-1.7 -2,-0.5 14,-1.4 -0.833 37.1-170.1 -89.7 116.7 12.8 -5.7 4.2 45 51 A Q E -IJ 131 56B 8 86,-3.8 86,-2.2 -2,-0.8 85,-2.0 -0.696 36.7-130.2-115.3 163.9 14.8 -9.0 4.2 46 52 A N S S- 0 0 70 9,-1.9 9,-0.4 83,-0.2 3,-0.3 -0.848 88.6 -28.0-106.9 90.2 14.9 -12.4 5.9 47 53 A G S S- 0 0 20 -2,-0.9 84,-0.1 1,-0.1 83,-0.1 -0.176 73.7 -97.3 88.9 172.6 18.6 -12.5 6.9 48 54 A S + 0 0 71 -3,-0.1 2,-0.2 82,-0.1 -1,-0.1 -0.078 63.4 146.4-122.8 35.5 21.5 -10.7 5.2 49 55 A S > - 0 0 55 -3,-0.3 5,-3.0 1,-0.1 -3,-0.1 -0.509 29.2-170.4 -73.8 137.3 22.9 -13.5 3.1 50 56 A M B 5S+N 53 0C 176 1,-0.3 3,-0.3 3,-0.3 -1,-0.1 0.651 71.6 56.0-100.3 -21.3 24.4 -12.3 -0.3 51 57 A K T 5S+ 0 0 182 1,-0.7 -1,-0.3 2,-0.1 2,-0.2 -0.746 117.6 24.5-160.5 108.0 24.8 -15.8 -1.8 52 58 A P T 5S- 0 0 90 0, 0.0 -1,-0.7 0, 0.0 2,-0.3 0.545 118.0-119.4 -62.2 151.8 22.4 -17.3 -1.9 53 59 A R B 5 -N 50 0C 88 -3,-0.3 25,-0.4 -2,-0.2 -3,-0.3 -0.491 28.0-111.5 -70.2 131.1 20.7 -13.9 -1.8 54 60 A A < - 0 0 9 -5,-3.0 -7,-0.1 -2,-0.3 -1,-0.1 -0.307 38.2 -97.9 -61.9 138.3 18.4 -13.4 1.2 55 61 A D - 0 0 36 -9,-0.4 -9,-1.9 -10,-0.1 2,-0.6 -0.144 28.4-143.9 -55.0 150.8 14.7 -13.2 0.4 56 62 A V E -JK 45 75B 0 19,-2.0 19,-2.2 -11,-0.2 -11,-0.2 -0.942 16.2-177.5-121.2 104.1 13.2 -9.8 0.2 57 63 A A E S+ 0 0 6 -13,-1.7 2,-0.4 -2,-0.6 66,-0.3 0.903 80.9 25.4 -68.1 -40.1 9.7 -9.8 1.7 58 64 A F E -J 44 0B 1 -14,-1.4 -14,-2.6 -3,-0.1 2,-0.7 -0.944 65.6-174.3-133.6 114.5 9.2 -6.1 0.7 59 65 A H E -JK 43 73B 7 14,-2.0 14,-1.1 -2,-0.4 2,-0.8 -0.911 4.1-172.8-107.7 104.3 11.1 -4.4 -2.1 60 66 A F E +JK 42 72B 0 -18,-2.9 -18,-2.1 -2,-0.7 12,-0.2 -0.873 13.1 177.5-100.4 103.3 10.3 -0.7 -2.2 61 67 A N E - K 0 71B 0 10,-2.9 10,-2.8 -2,-0.8 2,-0.3 -0.749 15.0-167.3-116.8 87.8 12.0 0.6 -5.4 62 68 A P E - K 0 70B 0 0, 0.0 -22,-1.7 0, 0.0 2,-0.4 -0.545 12.2-166.9 -73.2 133.1 11.7 4.2 -6.5 63 69 A R E -HK 39 69B 81 6,-2.9 6,-2.0 -2,-0.3 -24,-0.2 -0.945 12.7-166.6-119.6 141.8 12.9 4.7 -10.1 64 70 A F + 0 0 11 -26,-3.1 -25,-0.1 -2,-0.4 29,-0.1 0.526 44.9 116.0-109.2 -5.6 13.6 8.1 -11.7 65 71 A K S > S- 0 0 150 -27,-0.5 3,-1.4 2,-0.1 -2,-0.1 -0.369 86.6 -18.7 -65.6 144.2 13.9 7.6 -15.4 66 72 A R T 3 S- 0 0 245 1,-0.3 3,-0.1 2,-0.0 0, 0.0 -0.294 136.8 -14.6 60.3-138.2 11.1 9.4 -17.4 67 73 A A T 3 S- 0 0 105 1,-0.1 -1,-0.3 -2,-0.0 22,-0.1 0.745 103.6-133.8 -68.0 -22.5 8.1 10.4 -15.4 68 74 A G < - 0 0 13 -3,-1.4 2,-0.3 20,-0.1 -4,-0.2 -0.111 29.6-172.9 91.3 168.2 9.3 8.1 -12.7 69 75 A C E -K 63 0B 19 -6,-2.0 -6,-2.9 19,-0.1 2,-0.4 -0.963 25.9-104.3-177.4-177.8 7.5 5.4 -10.6 70 76 A I E -KL 62 86B 0 16,-2.2 16,-2.8 -2,-0.3 2,-0.5 -0.979 25.2-157.2-133.6 119.1 7.9 3.0 -7.6 71 77 A V E -KL 61 85B 1 -10,-2.8 -10,-2.9 -2,-0.4 2,-0.4 -0.843 10.1-173.0 -99.0 129.1 8.3 -0.7 -8.2 72 78 A C E +KL 60 84B 2 12,-1.2 12,-2.3 -2,-0.5 2,-0.3 -0.960 19.3 139.3-120.8 139.9 7.4 -3.0 -5.4 73 79 A N E -K 59 0B 2 -14,-1.1 -14,-2.0 -2,-0.4 2,-0.4 -0.944 40.8-116.2-163.2 179.6 8.0 -6.8 -5.4 74 80 A T E - 0 0 2 -2,-0.3 7,-1.7 -16,-0.2 2,-0.6 -0.996 13.9-149.8-134.3 137.6 9.1 -9.8 -3.5 75 81 A L E +KM 56 80B 3 -19,-2.2 -19,-2.0 -2,-0.4 2,-0.5 -0.930 19.1 176.7-111.8 110.6 12.2 -12.0 -4.0 76 82 A I E > S- M 0 79B 70 3,-2.2 3,-1.3 -2,-0.6 -22,-0.1 -0.963 72.9 -12.4-115.4 127.8 11.7 -15.6 -2.9 77 83 A N T 3 S- 0 0 115 -2,-0.5 -1,-0.2 1,-0.3 -23,-0.1 0.913 130.0 -54.6 47.2 50.2 14.5 -18.1 -3.5 78 84 A E T 3 S+ 0 0 108 -25,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.723 115.5 113.1 58.0 28.5 16.3 -15.6 -5.7 79 85 A K E < -M 76 0B 142 -3,-1.3 -3,-2.2 0, 0.0 2,-0.2 -0.993 61.6-133.3-131.7 128.5 13.3 -15.1 -8.0 80 86 A W E -M 75 0B 106 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.535 20.7-150.7 -78.8 143.9 11.3 -11.9 -8.4 81 87 A G - 0 0 39 -7,-1.7 2,-0.4 -2,-0.2 -1,-0.1 0.042 48.2 -39.0 -92.2-154.6 7.5 -12.2 -8.3 82 88 A R - 0 0 178 1,-0.1 -1,-0.2 -9,-0.0 -8,-0.1 -0.591 65.1-126.4 -74.8 123.0 4.8 -10.0 -10.0 83 89 A E - 0 0 95 -2,-0.4 2,-0.5 -10,-0.1 -10,-0.2 -0.364 12.1-153.9 -70.6 148.0 5.8 -6.3 -9.9 84 90 A E E -L 72 0B 59 -12,-2.3 -12,-1.2 -2,-0.1 2,-0.5 -0.906 18.1-162.1-123.5 96.1 3.3 -3.8 -8.5 85 91 A I E -L 71 0B 51 -2,-0.5 2,-0.6 -14,-0.2 -14,-0.2 -0.718 7.6-162.6 -88.9 125.4 4.1 -0.5 -10.1 86 92 A T E -L 70 0B 34 -16,-2.8 -16,-2.2 -2,-0.5 -2,-0.0 -0.927 6.0-174.7-106.4 122.0 2.9 2.7 -8.6 87 93 A Y + 0 0 172 -2,-0.6 2,-1.9 -18,-0.2 -1,-0.1 0.702 67.9 81.6 -89.8 -22.1 3.0 5.7 -11.0 88 94 A D + 0 0 156 29,-0.1 -1,-0.2 -18,-0.1 -19,-0.1 -0.578 68.0 170.4 -84.4 77.7 1.9 8.4 -8.6 89 95 A T - 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