==== 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 3VKN . 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) . 15088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 68.7 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 . 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 . 2 0.7 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 . 30 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.4 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 3 5 2 6 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 0 161 0, 0.0 2,-0.3 0, 0.0 146,-0.3 0.000 360.0 360.0 360.0-160.6 8.1 6.0 20.0 2 8 A L - 0 0 60 144,-0.2 2,-0.4 145,-0.1 144,-0.2 -0.760 360.0-172.5 -99.0 140.8 10.9 6.0 17.4 3 9 A Q E -A 145 0A 124 142,-1.7 142,-1.7 -2,-0.3 2,-0.0 -0.841 13.4-153.6-133.1 94.1 14.3 4.2 17.9 4 10 A N E -A 144 0A 46 -2,-0.4 140,-0.3 140,-0.3 151,-0.2 -0.357 7.7-163.3 -66.4 146.6 16.8 4.9 15.1 5 11 A I E S+ 0 0 38 138,-3.0 2,-0.3 1,-0.3 139,-0.2 0.446 72.2 8.0-107.3 -6.2 19.4 2.2 14.5 6 12 A I E -A 143 0A 7 137,-1.1 137,-1.8 148,-0.1 2,-0.4 -0.952 56.8-149.6-172.1 149.6 21.7 4.4 12.5 7 13 A Y E S-AB 142 153A 79 146,-1.0 146,-1.9 -2,-0.3 145,-0.4 -0.972 81.3 -4.5-127.0 143.4 22.4 8.0 11.3 8 14 A N S S- 0 0 58 133,-1.8 144,-1.8 -2,-0.4 133,-0.2 0.867 84.6-169.0 41.1 53.6 24.1 9.1 8.1 9 15 A P - 0 0 7 0, 0.0 131,-0.5 0, 0.0 -1,-0.1 -0.431 25.3-109.1 -73.7 142.6 24.9 5.4 7.1 10 16 A V - 0 0 31 -2,-0.1 129,-0.1 2,-0.1 157,-0.0 -0.463 51.9 -92.2 -66.9 142.0 27.2 4.7 4.2 11 17 A I S S+ 0 0 39 -2,-0.1 124,-0.1 127,-0.1 2,-0.1 -0.885 109.5 49.2-107.6 138.1 25.3 3.3 1.3 12 18 A P S S- 0 0 89 0, 0.0 2,-0.4 0, 0.0 123,-0.2 0.431 84.0-176.4 -68.4 147.0 24.8 0.5 0.6 13 19 A F E -G 134 0B 21 121,-2.4 121,-2.7 -2,-0.1 2,-0.4 -0.954 15.4-180.0-120.4 136.0 23.6 -0.2 4.1 14 20 A V E +G 133 0B 65 -2,-0.4 2,-0.3 119,-0.3 119,-0.2 -0.966 15.1 166.6-135.5 115.5 22.5 -3.5 5.6 15 21 A G E -G 132 0B 13 117,-3.1 117,-3.1 -2,-0.4 2,-0.3 -0.953 35.6-113.7-132.7 152.8 21.4 -3.6 9.2 16 22 A T E -G 131 0B 104 -2,-0.3 115,-0.3 115,-0.2 -2,-0.0 -0.658 32.1-121.1 -85.0 137.0 19.7 -6.1 11.5 17 23 A I - 0 0 14 113,-3.2 4,-0.1 -2,-0.3 -1,-0.0 -0.663 16.8-142.2 -78.2 124.8 16.2 -5.1 12.8 18 24 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.616 76.8 22.0 -63.2 -17.6 16.3 -5.0 16.6 19 25 A D S S- 0 0 88 3,-0.0 2,-0.1 111,-0.0 -2,-0.0 -0.965 93.7 -79.2-149.0 164.2 12.8 -6.4 17.1 20 26 A Q - 0 0 89 -2,-0.3 2,-1.8 1,-0.1 107,-0.1 -0.369 41.5-120.8 -66.2 139.7 10.2 -8.4 15.3 21 27 A L + 0 0 2 108,-0.5 -1,-0.1 105,-0.4 108,-0.1 -0.582 46.2 171.3 -83.0 80.4 8.1 -6.6 12.7 22 28 A D > - 0 0 70 -2,-1.8 3,-2.2 1,-0.2 81,-0.2 -0.518 48.0 -76.7 -86.4 157.7 4.7 -7.1 14.3 23 29 A P T 3 S+ 0 0 80 0, 0.0 81,-0.3 0, 0.0 -1,-0.2 -0.275 123.9 38.1 -53.4 138.2 1.5 -5.4 13.0 24 30 A G T 3 S+ 0 0 55 79,-3.7 2,-0.2 1,-0.4 80,-0.1 0.215 85.3 133.7 102.0 -14.1 1.6 -1.8 14.2 25 31 A T < - 0 0 4 -3,-2.2 78,-2.4 78,-0.4 2,-0.4 -0.519 42.3-153.2 -73.3 134.2 5.4 -1.5 13.7 26 32 A L E -CD 102 146A 55 120,-2.5 120,-3.1 -2,-0.2 2,-0.5 -0.901 7.7-162.9-111.6 136.8 6.6 1.6 12.0 27 33 A I E -CD 101 145A 0 74,-2.3 74,-2.7 -2,-0.4 2,-0.5 -0.983 12.8-165.6-117.1 121.8 9.9 1.9 10.0 28 34 A V E +CD 100 144A 14 116,-2.7 116,-2.8 -2,-0.5 2,-0.4 -0.939 9.7 178.6-116.3 129.8 11.0 5.5 9.4 29 35 A I E -CD 99 143A 0 70,-2.5 70,-3.6 -2,-0.5 2,-0.5 -0.972 5.2-171.2-132.4 117.3 13.6 6.5 6.9 30 36 A R E +CD 98 142A 119 112,-2.2 111,-3.3 -2,-0.4 112,-2.0 -0.915 28.8 123.0-109.4 132.0 14.7 10.1 6.3 31 37 A G E -CD 97 140A 0 66,-1.9 66,-2.9 -2,-0.5 2,-0.3 -0.852 46.8-108.2-160.9-163.3 17.0 10.9 3.4 32 38 A H E -CD 96 139A 35 107,-2.6 107,-2.6 64,-0.3 64,-0.2 -0.996 21.3-129.0-147.9 143.0 17.6 12.9 0.2 33 39 A V - 0 0 0 62,-1.8 61,-2.9 59,-0.4 62,-0.4 -0.839 27.9-127.5 -98.3 119.9 17.8 11.9 -3.5 34 40 A P > - 0 0 20 0, 0.0 3,-1.3 0, 0.0 61,-0.1 -0.226 20.7-115.5 -62.7 155.3 20.9 13.0 -5.4 35 41 A S T 3 S+ 0 0 73 1,-0.3 58,-0.1 58,-0.2 -2,-0.0 0.782 116.5 46.6 -61.3 -28.6 20.5 15.0 -8.6 36 42 A D T 3 S+ 0 0 94 57,-0.0 -1,-0.3 2,-0.0 101,-0.1 0.474 83.3 136.4 -93.9 -2.0 22.1 12.2 -10.7 37 43 A A < + 0 0 0 -3,-1.3 3,-0.1 1,-0.2 56,-0.1 -0.137 27.8 176.6 -51.6 133.4 20.0 9.4 -9.0 38 44 A D - 0 0 57 1,-0.5 26,-2.9 25,-0.1 27,-0.6 0.735 66.9 -34.3-103.1 -41.2 18.6 6.8 -11.3 39 45 A R B -H 63 0B 79 24,-0.2 98,-2.4 25,-0.1 -1,-0.5 -0.972 50.3-171.5-173.1 164.7 17.1 4.6 -8.6 40 46 A F E -I 136 0B 0 22,-1.7 2,-0.3 -2,-0.3 96,-0.2 -0.941 13.8-153.1-158.0 164.6 17.5 3.3 -5.1 41 47 A Q E -I 135 0B 20 94,-2.2 94,-1.6 -2,-0.3 2,-0.5 -0.989 14.9-146.3-149.1 156.3 15.7 0.7 -3.0 42 48 A V E -IJ 134 60B 1 18,-2.1 18,-2.5 -2,-0.3 2,-0.5 -0.995 25.7-167.0-122.3 117.1 14.8 -0.2 0.5 43 49 A D E -IJ 133 59B 0 90,-3.0 90,-2.6 -2,-0.5 2,-0.8 -0.936 16.3-153.4-114.5 128.0 14.7 -4.0 1.0 44 50 A L E -IJ 132 58B 1 14,-2.8 14,-1.5 -2,-0.5 13,-1.3 -0.878 33.8-173.1 -96.0 113.3 13.2 -5.8 4.0 45 51 A Q E -IJ 131 56B 10 86,-3.5 86,-2.1 -2,-0.8 85,-1.8 -0.720 36.8-129.3-114.6 161.1 15.1 -9.1 4.1 46 52 A N S S- 0 0 68 9,-2.5 9,-0.5 -2,-0.3 3,-0.2 -0.860 88.9 -24.4-103.8 92.9 15.2 -12.4 5.9 47 53 A G S S- 0 0 22 -2,-0.9 84,-0.1 1,-0.1 83,-0.1 -0.127 71.7-101.2 89.4 170.7 18.9 -12.5 6.8 48 54 A S + 0 0 68 -3,-0.1 -1,-0.1 -34,-0.1 -32,-0.0 0.121 65.9 140.6-118.2 18.3 21.8 -10.7 5.2 49 55 A S > - 0 0 61 -3,-0.2 5,-2.5 1,-0.1 -3,-0.1 -0.328 31.8-169.8 -60.7 143.7 23.2 -13.7 3.2 50 56 A M B 5 +N 53 0C 165 1,-0.3 3,-0.5 3,-0.3 -1,-0.1 0.483 68.1 61.9-113.7 -8.5 24.4 -12.7 -0.2 51 57 A K T 5S+ 0 0 184 1,-0.9 -1,-0.3 2,-0.0 2,-0.2 -0.670 115.7 23.9-165.5 102.0 25.0 -16.1 -1.7 52 58 A P T 5S- 0 0 92 0, 0.0 -1,-0.9 0, 0.0 2,-0.2 0.524 119.0-118.2 -64.0 148.9 22.5 -17.6 -1.8 53 59 A R B 5 -N 50 0C 99 -3,-0.5 25,-0.5 -2,-0.2 -3,-0.3 -0.415 30.6-109.3 -63.9 127.5 20.9 -14.2 -1.8 54 60 A A < - 0 0 10 -5,-2.5 -7,-0.1 -2,-0.2 -1,-0.1 -0.236 39.2 -96.0 -58.2 140.3 18.6 -13.6 1.2 55 61 A D - 0 0 33 -9,-0.5 -9,-2.5 -10,-0.1 2,-0.7 -0.255 31.8-144.0 -57.9 142.3 14.9 -13.6 0.6 56 62 A V E -JK 45 75B 0 19,-2.1 19,-2.5 -11,-0.2 -11,-0.3 -0.904 15.9-175.9-114.6 101.2 13.4 -10.1 0.2 57 63 A A E S+ 0 0 3 -13,-1.3 2,-0.4 -2,-0.7 66,-0.3 0.886 79.1 19.9 -62.6 -39.3 10.0 -9.9 1.8 58 64 A F E -J 44 0B 1 -14,-1.5 -14,-2.8 16,-0.1 2,-0.6 -0.941 63.9-172.3-141.9 115.8 9.5 -6.3 0.6 59 65 A H E -JK 43 73B 10 14,-2.1 14,-1.2 -2,-0.4 2,-0.7 -0.936 5.2-171.2-107.8 113.1 11.4 -4.5 -2.2 60 66 A F E -JK 42 72B 0 -18,-2.5 -18,-2.1 -2,-0.6 12,-0.2 -0.919 10.8-179.8-108.1 105.5 10.6 -0.8 -2.4 61 67 A N E - K 0 71B 0 10,-3.3 10,-2.7 -2,-0.7 2,-0.3 -0.710 12.1-168.6-118.4 85.3 12.2 0.5 -5.6 62 68 A P E - K 0 70B 0 0, 0.0 -22,-1.7 0, 0.0 2,-0.4 -0.521 11.4-168.9 -70.8 129.2 11.9 4.2 -6.5 63 69 A R E -HK 39 69B 80 6,-2.9 6,-1.9 -2,-0.3 -24,-0.2 -0.935 13.1-165.9-118.7 142.8 13.1 4.9 -10.1 64 70 A F + 0 0 14 -26,-2.9 -25,-0.1 -2,-0.4 29,-0.1 0.491 48.9 109.1-110.7 -2.7 13.6 8.4 -11.5 65 71 A K S > S- 0 0 119 -27,-0.6 3,-1.4 2,-0.1 -2,-0.1 -0.331 85.5 -3.6 -70.7 159.0 13.9 8.0 -15.3 66 72 A R T 3 S- 0 0 238 1,-0.3 3,-0.1 2,-0.1 0, 0.0 -0.335 137.6 -27.0 58.7-136.2 11.0 9.3 -17.4 67 73 A A T 3 S- 0 0 100 1,-0.2 -1,-0.3 -2,-0.0 22,-0.2 0.625 103.4-122.8 -83.0 -15.0 8.2 10.6 -15.2 68 74 A G < - 0 0 11 -3,-1.4 2,-0.3 20,-0.1 -4,-0.2 -0.013 34.3-170.8 92.9 161.8 9.3 8.2 -12.5 69 75 A C E -K 63 0B 19 -6,-1.9 -6,-2.9 19,-0.1 2,-0.4 -0.961 24.3-109.4-171.5 179.1 7.7 5.4 -10.5 70 76 A I E -KL 62 86B 0 16,-2.5 16,-2.5 -2,-0.3 2,-0.5 -0.985 24.6-156.7-130.6 118.9 8.1 3.0 -7.6 71 77 A V E -KL 61 85B 0 -10,-2.7 -10,-3.3 -2,-0.4 2,-0.4 -0.841 10.2-173.8 -99.3 130.6 8.6 -0.7 -8.2 72 78 A C E +KL 60 84B 1 12,-1.6 12,-2.5 -2,-0.5 2,-0.3 -0.984 17.3 143.5-124.3 132.5 7.6 -3.2 -5.4 73 79 A N E -K 59 0B 5 -14,-1.2 -14,-2.1 -2,-0.4 2,-0.4 -0.919 38.7-117.9-153.6 177.6 8.3 -6.9 -5.5 74 80 A T E - 0 0 2 -2,-0.3 7,-1.6 -16,-0.2 2,-0.6 -0.984 14.9-150.4-128.9 138.1 9.3 -10.0 -3.5 75 81 A L E +KM 56 80B 2 -19,-2.5 -19,-2.1 -2,-0.4 2,-0.5 -0.929 18.9 173.2-112.6 114.9 12.4 -12.2 -3.8 76 82 A I E > S- M 0 79B 64 3,-2.7 3,-1.6 -2,-0.6 -22,-0.1 -0.984 72.3 -13.6-123.7 126.0 12.0 -15.8 -2.8 77 83 A N T 3 S- 0 0 109 -2,-0.5 -1,-0.2 1,-0.3 -23,-0.1 0.928 128.3 -55.1 48.6 52.8 14.8 -18.3 -3.4 78 84 A E T 3 S+ 0 0 118 -25,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.676 116.8 117.0 56.2 21.5 16.6 -15.8 -5.7 79 85 A K E < -M 76 0B 138 -3,-1.6 -3,-2.7 0, 0.0 -1,-0.2 -0.975 58.4-140.0-123.2 123.8 13.4 -15.6 -7.8 80 86 A W E -M 75 0B 103 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.451 17.0-150.1 -77.5 151.9 11.4 -12.4 -8.2 81 87 A G - 0 0 39 -7,-1.6 2,-0.4 1,-0.2 -1,-0.1 -0.056 45.3 -39.6-100.6-153.1 7.6 -12.5 -8.2 82 88 A R - 0 0 177 -2,-0.1 -1,-0.2 1,-0.1 2,-0.2 -0.596 63.0-125.5 -77.6 126.6 5.0 -10.3 -9.8 83 89 A E - 0 0 105 -2,-0.4 2,-0.6 -10,-0.1 -10,-0.2 -0.458 12.9-155.7 -76.2 143.4 5.8 -6.5 -9.8 84 90 A E E -L 72 0B 60 -12,-2.5 -12,-1.6 -2,-0.2 2,-0.4 -0.954 16.8-159.2-119.4 105.5 3.4 -3.9 -8.4 85 91 A I E -L 71 0B 58 -2,-0.6 2,-0.5 -14,-0.2 -14,-0.2 -0.764 7.6-165.1 -94.2 130.1 4.2 -0.6 -10.1 86 92 A T E -L 70 0B 30 -16,-2.5 -16,-2.5 -2,-0.4 3,-0.1 -0.958 7.5-179.3-113.7 125.5 3.1 2.7 -8.5 87 93 A Y + 0 0 169 -2,-0.5 2,-2.2 -18,-0.2 -1,-0.1 0.692 64.7 81.8 -98.4 -24.5 3.2 5.8 -10.8 88 94 A D + 0 0 149 29,-0.2 -1,-0.1 -18,-0.1 -19,-0.1 -0.574 68.9 173.2 -81.8 77.5 2.1 8.6 -8.5 89 95 A T - 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