==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 12-OCT-10 3AP6 . COMPND 2 MOLECULE: GALECTIN-8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.MATSUZAKA,H.IDEO,K.YAMASHITA,T.NONAKA . 583 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 69.1 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 . 285 48.9 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 . 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 . 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 . 73 12.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 4 5 7 5 7 13 6 1 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 8 A L 0 0 114 0, 0.0 2,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 155.5 3.1 49.8 8.2 2 9 A Q E +A 144 0A 81 142,-3.7 142,-2.1 1,-0.2 0, 0.0 -0.704 360.0 18.4-118.4 159.3 0.6 48.7 10.8 3 10 A N E S- 0 0 83 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.832 78.6-167.4 53.0 42.0 0.4 48.2 14.5 4 11 A I E - 0 0 64 -3,-0.2 2,-0.5 139,-0.1 139,-0.2 -0.405 11.7-157.2 -71.5 131.7 3.5 50.3 15.1 5 12 A I E -A 142 0A 65 137,-2.8 137,-2.0 -2,-0.2 2,-0.4 -0.950 12.0-150.4-107.8 124.8 5.1 50.1 18.6 6 13 A Y E -A 141 0A 156 -2,-0.5 135,-0.2 135,-0.2 134,-0.1 -0.834 61.7 -20.2-102.8 135.9 7.3 53.1 19.5 7 14 A N S S- 0 0 110 133,-2.5 -1,-0.2 -2,-0.4 133,-0.2 0.838 77.3-163.8 44.3 53.8 10.3 53.1 21.8 8 15 A P - 0 0 19 0, 0.0 131,-0.4 0, 0.0 2,-0.3 -0.377 22.5-110.2 -66.4 145.7 9.5 49.9 23.7 9 16 A V - 0 0 122 2,-0.1 129,-0.1 129,-0.1 -2,-0.0 -0.602 47.3-100.0 -67.9 135.5 11.2 49.2 26.9 10 17 A I S S+ 0 0 42 -2,-0.3 124,-0.1 127,-0.1 2,-0.1 -0.913 109.7 55.2-103.1 130.0 13.7 46.3 26.6 11 18 A P S S- 0 0 91 0, 0.0 2,-0.5 0, 0.0 123,-0.2 0.251 86.3-174.8 -69.7 135.6 13.2 43.5 27.4 12 19 A F E +F 133 0B 33 121,-2.6 121,-2.5 -2,-0.1 2,-0.4 -0.917 15.1 175.1-107.8 131.5 10.1 43.7 25.2 13 20 A V E +F 132 0B 74 -2,-0.5 2,-0.3 119,-0.2 119,-0.2 -0.930 16.1 161.4-136.1 110.3 7.6 40.9 24.9 14 21 A G E -F 131 0B 15 117,-2.5 117,-3.0 -2,-0.4 2,-0.3 -0.964 41.1-111.0-133.6 147.9 4.5 41.5 22.8 15 22 A T E -F 130 0B 116 -2,-0.3 115,-0.3 115,-0.2 -2,-0.0 -0.568 36.3-122.0 -71.9 132.8 1.7 39.7 21.1 16 23 A I - 0 0 8 113,-2.5 -1,-0.1 -2,-0.3 4,-0.0 -0.670 20.6-132.9 -77.2 126.8 2.0 39.9 17.3 17 24 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.403 78.7 11.7 -71.3 2.3 -1.3 41.4 16.1 18 25 A D S S- 0 0 93 111,-0.0 2,-0.1 3,-0.0 -2,-0.0 -0.957 93.4 -72.6-163.4 168.2 -2.0 38.9 13.2 19 26 A Q - 0 0 95 -2,-0.3 2,-1.6 1,-0.1 107,-0.1 -0.369 44.0-116.4 -67.8 148.3 -0.8 35.5 11.9 20 27 A L + 0 0 4 105,-0.4 -1,-0.1 108,-0.4 3,-0.1 -0.491 49.0 169.5 -87.9 69.6 2.6 35.3 10.1 21 28 A D > - 0 0 77 -2,-1.6 3,-2.4 1,-0.2 81,-0.2 -0.358 49.8 -68.8 -72.5 156.0 1.3 34.3 6.7 22 29 A P T 3 S+ 0 0 85 0, 0.0 81,-0.3 0, 0.0 -1,-0.2 -0.187 124.8 30.3 -49.0 129.2 3.7 34.3 3.6 23 30 A G T 3 S+ 0 0 40 79,-3.1 80,-0.1 1,-0.3 -2,-0.1 0.139 84.5 142.0 102.1 -15.4 4.6 37.8 2.7 24 31 A T < - 0 0 4 -3,-2.4 78,-2.7 78,-0.4 2,-0.4 -0.315 36.0-153.8 -59.4 133.8 4.3 39.2 6.2 25 32 A L E -BC 101 145A 49 120,-2.5 120,-2.1 76,-0.2 2,-0.5 -0.919 13.9-168.0-109.7 138.7 6.9 41.8 7.2 26 33 A I E -BC 100 144A 0 74,-2.2 74,-2.8 -2,-0.4 2,-0.5 -0.992 14.5-166.6-118.3 119.7 8.3 42.6 10.6 27 34 A V E -BC 99 143A 10 116,-3.0 116,-2.6 -2,-0.5 2,-0.5 -0.929 6.5-177.1-114.2 122.4 10.3 45.9 10.5 28 35 A I E -BC 98 142A 0 70,-2.9 70,-3.1 -2,-0.5 2,-0.4 -0.968 4.6-170.1-127.2 119.1 12.5 46.8 13.5 29 36 A R E +BC 97 141A 126 112,-2.5 111,-2.2 -2,-0.5 112,-1.7 -0.902 29.7 123.2-112.5 131.6 14.5 50.1 13.6 30 37 A G E -BC 96 139A 1 66,-2.3 66,-2.7 -2,-0.4 2,-0.3 -0.890 47.1-110.0-164.7-170.9 17.1 50.5 16.3 31 38 A H E -BC 95 138A 49 107,-2.6 107,-2.5 -2,-0.3 64,-0.2 -0.992 21.0-129.2-144.7 144.5 20.6 51.3 17.5 32 39 A V - 0 0 0 62,-1.9 61,-2.2 59,-0.4 62,-0.2 -0.865 30.4-131.7 -94.9 120.9 23.3 49.1 19.1 33 40 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 61,-0.1 -0.303 21.4-110.0 -69.5 160.2 24.8 50.8 22.2 34 41 A S T 3 S+ 0 0 76 1,-0.3 58,-0.1 58,-0.2 -2,-0.0 0.742 117.3 52.6 -63.5 -24.4 28.6 51.1 22.7 35 42 A D T 3 S+ 0 0 100 2,-0.0 -1,-0.3 58,-0.0 2,-0.3 0.195 81.9 132.4 -95.7 18.4 28.5 48.5 25.6 36 43 A A < + 0 0 0 -3,-1.8 3,-0.1 1,-0.2 56,-0.1 -0.491 25.5 168.0 -77.7 132.7 26.6 45.8 23.6 37 44 A D S S- 0 0 106 1,-0.4 26,-2.4 -2,-0.3 27,-0.4 0.686 71.9 -28.1-103.0 -30.3 27.8 42.2 23.5 38 45 A R B -G 62 0B 86 24,-0.2 98,-2.0 25,-0.1 -1,-0.4 -0.972 51.1-169.4-170.7 159.0 24.7 40.8 21.9 39 46 A F E -H 135 0B 0 22,-1.7 2,-0.3 -2,-0.3 96,-0.2 -0.931 14.8-148.5-146.3 173.8 21.0 41.3 21.5 40 47 A Q E -H 134 0B 17 94,-2.4 94,-1.9 -2,-0.3 2,-0.5 -1.000 15.7-153.9-148.8 150.2 18.2 39.1 20.0 41 48 A V E -HI 133 59B 1 18,-2.3 18,-2.4 -2,-0.3 2,-0.5 -0.995 26.4-170.1-118.4 119.4 14.9 39.1 18.2 42 49 A D E -HI 132 58B 0 90,-3.0 90,-2.8 -2,-0.5 2,-0.6 -0.955 19.7-155.8-119.0 125.2 12.9 36.0 19.0 43 50 A L E -HI 131 57B 0 14,-2.8 14,-1.5 -2,-0.5 13,-1.3 -0.915 37.1-173.8 -96.3 118.1 9.7 34.9 17.2 44 51 A Q E -HI 130 55B 8 86,-3.1 85,-2.0 -2,-0.6 86,-1.8 -0.762 39.3-124.2-122.6 156.2 8.0 32.7 20.0 45 52 A N E S- I 0 54B 60 9,-2.5 9,-0.6 -2,-0.3 3,-0.3 -0.874 87.9 -36.1 -95.3 95.4 5.2 30.4 20.7 46 53 A G S S- 0 0 20 -2,-0.9 84,-0.1 1,-0.1 83,-0.1 -0.217 72.8 -91.9 78.3-168.8 3.6 32.2 23.7 47 54 A S + 0 0 77 -3,-0.1 -1,-0.1 -34,-0.1 5,-0.0 0.111 62.8 146.0-133.1 17.5 5.5 34.1 26.5 48 55 A S > - 0 0 60 -3,-0.3 5,-2.3 1,-0.1 -3,-0.1 -0.291 26.4-172.8 -59.5 140.6 6.0 31.5 29.2 49 56 A V T 5S+ 0 0 131 1,-0.3 3,-0.2 3,-0.2 -1,-0.1 0.735 72.6 60.8-101.4 -39.8 9.3 31.8 31.2 50 57 A K T 5S+ 0 0 104 1,-0.4 -1,-0.3 2,-0.1 2,-0.1 -0.922 119.8 21.7-130.1 107.2 9.0 28.6 33.2 51 58 A P T 5S- 0 0 68 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 0.643 116.0-117.3 -70.0 158.8 9.0 26.5 31.1 52 59 A R T 5 - 0 0 93 -3,-0.2 25,-0.3 -2,-0.1 -3,-0.2 -0.453 31.2-108.7 -69.3 135.9 10.7 28.7 28.5 53 60 A A < - 0 0 8 -5,-2.3 -7,-0.1 -2,-0.1 -1,-0.1 -0.319 38.6 -99.2 -62.9 141.8 8.5 29.4 25.5 54 61 A D E -I 45 0B 23 -9,-0.6 -9,-2.5 1,-0.1 2,-0.6 -0.389 31.8-145.2 -59.3 141.2 9.6 27.7 22.2 55 62 A V E -IJ 44 74B 0 19,-1.8 19,-2.1 -11,-0.2 3,-0.3 -0.922 15.2-174.7-114.5 102.5 11.5 30.1 19.9 56 63 A A E S+ 0 0 4 -13,-1.3 2,-0.4 -2,-0.6 66,-0.3 0.899 80.9 18.2 -59.8 -42.9 10.7 29.3 16.3 57 64 A F E -I 43 0B 1 -14,-1.5 -14,-2.8 16,-0.1 2,-0.5 -0.944 65.3-173.0-142.2 110.9 13.3 31.9 15.1 58 65 A H E -IJ 42 72B 6 14,-2.6 14,-1.5 -2,-0.4 2,-0.6 -0.952 5.9-171.5-101.0 118.6 16.1 33.3 17.3 59 66 A F E +IJ 41 71B 0 -18,-2.4 -18,-2.3 -2,-0.5 12,-0.2 -0.955 12.6 176.1-117.2 107.0 18.0 36.1 15.5 60 67 A N E - J 0 70B 0 10,-1.9 10,-2.5 -2,-0.6 -20,-0.2 -0.756 17.5-163.8-132.3 85.4 21.0 36.9 17.5 61 68 A P E - J 0 69B 0 0, 0.0 -22,-1.7 0, 0.0 2,-0.3 -0.473 13.2-165.5 -64.7 135.6 23.7 39.4 16.5 62 69 A R E -GJ 38 68B 80 6,-3.0 6,-2.2 -24,-0.2 -24,-0.2 -0.969 12.3-162.7-126.7 144.5 26.9 39.1 18.6 63 70 A F + 0 0 11 -26,-2.4 29,-0.1 -2,-0.3 -25,-0.1 0.442 44.0 121.9-113.2 -1.5 29.6 41.8 18.7 64 71 A K S > S- 0 0 160 -27,-0.4 3,-2.0 2,-0.1 2,-0.1 -0.398 86.9 -23.4 -67.9 139.5 32.8 40.1 20.0 65 72 A R T 3 S- 0 0 225 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.395 138.3 -15.5 52.8-123.1 35.8 40.3 17.7 66 73 A A T 3 S- 0 0 97 1,-0.2 -1,-0.3 -2,-0.1 22,-0.2 0.439 104.3-133.0 -90.8 0.0 34.5 40.8 14.1 67 74 A G < - 0 0 16 -3,-2.0 2,-0.3 20,-0.1 -4,-0.2 0.133 25.3-158.6 80.0 171.2 31.0 39.7 15.1 68 75 A C E -J 62 0B 20 -6,-2.2 -6,-3.0 19,-0.1 2,-0.4 -0.958 21.0-112.5-167.6 175.8 28.4 37.4 13.7 69 76 A I E -JK 61 85B 0 16,-2.3 16,-3.0 -2,-0.3 2,-0.5 -0.988 25.9-159.0-125.2 122.3 24.7 36.6 13.7 70 77 A V E -JK 60 84B 1 -10,-2.5 -10,-1.9 -2,-0.4 2,-0.4 -0.879 8.9-170.2 -99.4 123.4 23.6 33.3 15.3 71 78 A C E +JK 59 83B 2 12,-2.5 12,-2.5 -2,-0.5 2,-0.3 -0.937 19.9 138.3-114.3 143.4 20.3 31.9 14.2 72 79 A N E -J 58 0B 2 -14,-1.5 -14,-2.6 -2,-0.4 2,-0.4 -0.931 41.7-115.5-165.2-179.3 18.6 29.0 15.9 73 80 A T E - 0 0 3 -2,-0.3 7,-2.3 -16,-0.2 2,-0.5 -0.990 16.5-148.0-135.8 137.7 15.3 27.4 17.3 74 81 A L E +JL 55 79B 2 -19,-2.1 -19,-1.8 -2,-0.4 2,-0.4 -0.962 21.0 175.6-110.7 117.8 14.5 26.6 20.9 75 82 A I E > S- L 0 78B 31 3,-2.5 3,-1.3 -2,-0.5 -22,-0.1 -0.994 70.4 -11.4-126.5 125.2 12.2 23.5 21.3 76 83 A N T 3 S- 0 0 54 -2,-0.4 -1,-0.1 1,-0.3 -23,-0.1 0.862 128.4 -56.7 55.5 39.5 11.3 22.1 24.7 77 84 A E T 3 S+ 0 0 98 -25,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.654 116.7 112.5 66.5 24.0 14.0 24.4 26.4 78 85 A K E < -L 75 0B 97 -3,-1.3 -3,-2.5 281,-0.0 2,-0.2 -0.989 63.9-131.4-130.6 125.6 16.7 22.9 24.2 79 86 A W E -L 74 0B 101 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.570 21.3-150.1 -74.0 139.0 18.6 24.7 21.4 80 87 A G - 0 0 28 -7,-2.3 2,-0.5 -2,-0.2 -1,-0.1 0.152 47.2 -39.4 -84.8-151.8 19.0 23.1 18.0 81 88 A R - 0 0 198 1,-0.1 -1,-0.2 -9,-0.0 2,-0.1 -0.627 63.3-126.0 -81.9 123.2 21.7 23.4 15.5 82 89 A E - 0 0 97 -2,-0.5 2,-0.5 -10,-0.1 -10,-0.2 -0.417 13.6-158.2 -69.9 140.1 23.1 26.9 15.1 83 90 A E E -K 71 0B 80 -12,-2.5 -12,-2.5 -2,-0.1 2,-0.5 -0.982 18.3-162.7-113.0 110.6 23.3 28.6 11.7 84 91 A I E -K 70 0B 60 -2,-0.5 2,-0.6 -14,-0.2 -14,-0.2 -0.855 12.0-162.3-105.7 127.5 25.9 31.3 11.9 85 92 A T E -K 69 0B 35 -16,-3.0 -16,-2.3 -2,-0.5 32,-0.0 -0.929 6.7-177.7-106.1 114.7 26.2 34.2 9.4 86 93 A Y + 0 0 167 -2,-0.6 2,-2.0 -18,-0.2 -1,-0.1 0.715 66.4 85.4 -86.8 -23.1 29.7 35.8 9.7 87 94 A D + 0 0 115 29,-0.1 -1,-0.1 -18,-0.1 -19,-0.1 -0.600 69.6 173.6 -80.5 85.4 28.9 38.4 7.1 88 95 A T - 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