==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 04-MAY-11 3AYE . COMPND 2 MOLECULE: GALECTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.F.BIAN,D.F.LI,D.C.WANG . 270 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 74.4 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 . 138 51.1 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 . 10 3.7 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 . 40 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.7 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 . 0 0.0 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 . 2 2 2 2 4 6 2 0 2 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 2 0 0 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 1 116 A M 0 0 117 0, 0.0 121,-0.1 0, 0.0 124,-0.1 0.000 360.0 360.0 360.0 14.7 -13.9 -8.2 -19.2 2 117 A P + 0 0 121 0, 0.0 120,-0.2 0, 0.0 2,-0.1 -0.626 360.0 128.4-156.2 48.4 -14.0 -8.3 -16.2 3 118 A Y E -A 121 0A 98 118,-1.3 118,-3.4 117,-0.1 2,-0.4 -0.438 32.3-154.1 -79.0 149.1 -11.4 -9.1 -13.5 4 119 A N E -A 120 0A 57 116,-0.2 116,-0.2 -2,-0.1 126,-0.1 -0.974 5.6-155.0-127.7 122.9 -10.6 -6.9 -10.5 5 120 A L E -A 119 0A 10 114,-3.0 114,-2.3 -2,-0.4 2,-0.1 -0.837 23.8-135.8 -94.8 111.1 -7.3 -6.8 -8.6 6 121 A P E -A 118 0A 73 0, 0.0 112,-0.2 0, 0.0 111,-0.1 -0.423 14.4-163.9 -67.2 140.1 -8.0 -5.5 -5.0 7 122 A L > - 0 0 2 110,-2.9 3,-2.5 -2,-0.1 2,-0.1 -0.676 8.8-161.5-124.8 75.3 -5.5 -2.9 -3.8 8 123 A P T 3 S+ 0 0 96 0, 0.0 110,-0.0 0, 0.0 108,-0.0 -0.379 82.6 20.1 -59.3 125.3 -6.0 -2.8 0.0 9 124 A G T 3 S- 0 0 63 -2,-0.1 107,-0.1 105,-0.1 108,-0.1 0.426 115.8-115.7 92.8 -1.4 -4.6 0.4 1.3 10 125 A G < - 0 0 3 -3,-2.5 2,-0.2 107,-0.2 104,-0.2 -0.071 55.1 -28.3 67.4-168.6 -4.8 1.9 -2.2 11 126 A V + 0 0 0 102,-2.0 105,-0.2 105,-0.2 104,-0.1 -0.596 63.4 174.1 -83.2 142.1 -1.9 3.0 -4.4 12 127 A V > - 0 0 50 -2,-0.2 3,-1.8 102,-0.1 77,-0.2 -0.992 39.3 -83.8-147.4 149.8 1.3 4.2 -2.9 13 128 A P T 3 S+ 0 0 23 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.187 113.6 29.4 -53.6 145.7 4.7 5.2 -4.2 14 129 A R T 3 S+ 0 0 81 75,-2.7 121,-2.4 1,-0.3 2,-0.3 0.314 86.4 136.8 84.8 -7.5 7.2 2.3 -4.7 15 130 A M E < -H 134 0B 8 -3,-1.8 74,-2.9 74,-0.2 2,-0.5 -0.554 37.5-162.6 -73.5 134.1 4.3 -0.0 -5.5 16 131 A L E -HI 133 88B 30 117,-3.4 117,-2.1 -2,-0.3 2,-0.5 -0.969 2.8-166.3-123.1 115.3 4.9 -2.3 -8.5 17 132 A I E -HI 132 87B 0 70,-2.8 70,-2.7 -2,-0.5 2,-0.4 -0.869 3.6-164.2-103.8 131.6 2.0 -4.0 -10.2 18 133 A T E -HI 131 86B 28 113,-3.1 113,-2.2 -2,-0.5 2,-0.5 -0.959 7.0-174.1-120.8 130.2 2.6 -6.8 -12.6 19 134 A I E -HI 130 85B 2 66,-2.8 66,-2.5 -2,-0.4 2,-0.4 -0.983 6.1-173.5-123.8 122.1 0.0 -8.2 -15.1 20 135 A L E +HI 129 84B 60 109,-2.7 108,-2.4 -2,-0.5 109,-1.7 -0.918 25.9 111.8-116.1 141.5 0.8 -11.3 -17.1 21 136 A G E -HI 127 83B 4 62,-1.7 62,-2.9 -2,-0.4 2,-0.4 -0.973 55.7 -92.9-178.9-170.9 -1.3 -12.7 -19.9 22 137 A T E -HI 126 82B 46 104,-2.0 104,-2.9 -2,-0.3 2,-0.2 -0.997 32.8-122.3-131.5 132.0 -1.7 -13.4 -23.6 23 138 A V E -H 125 0B 1 58,-2.4 57,-0.9 -2,-0.4 102,-0.3 -0.550 36.5-117.9 -72.1 137.0 -3.5 -11.2 -26.1 24 139 A K > - 0 0 82 100,-2.4 3,-1.1 -2,-0.2 56,-0.5 -0.286 35.7 -86.6 -72.9 159.6 -6.3 -13.0 -27.8 25 140 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.385 114.3 11.5 -65.4 146.7 -6.4 -13.7 -31.5 26 141 A N T 3 S- 0 0 155 1,-0.1 -2,-0.1 -3,-0.1 22,-0.0 0.849 92.9-171.2 53.8 37.1 -7.9 -10.8 -33.5 27 142 A A < - 0 0 10 -3,-1.1 -1,-0.1 1,-0.1 52,-0.1 -0.247 20.2-177.9 -59.9 145.6 -7.8 -8.7 -30.4 28 143 A N + 0 0 93 1,-0.4 20,-1.9 -3,-0.1 21,-0.6 0.682 60.1 0.8-115.2 -34.4 -9.6 -5.3 -30.5 29 144 A R B -B 47 0A 68 18,-0.2 95,-3.6 19,-0.1 -1,-0.4 -0.996 44.9-166.0-157.1 160.2 -9.0 -3.8 -27.1 30 145 A I E -C 123 0A 2 16,-1.8 2,-0.3 -2,-0.3 93,-0.3 -0.971 17.3-172.0-141.7 148.6 -7.3 -4.0 -23.7 31 146 A A E -C 122 0A 0 91,-2.5 91,-2.9 -2,-0.3 2,-0.4 -0.972 17.9-169.0-154.1 136.4 -8.0 -1.9 -20.7 32 147 A L E -CD 121 44A 3 12,-2.2 12,-2.4 -2,-0.3 2,-0.5 -0.982 15.1-167.3-118.6 131.3 -6.6 -1.3 -17.2 33 148 A D E -CD 120 43A 28 87,-2.7 87,-3.0 -2,-0.4 2,-0.8 -0.880 10.2-162.2-128.5 101.2 -8.8 0.8 -14.9 34 149 A F E -CD 119 42A 0 8,-2.8 8,-1.2 -2,-0.5 7,-1.2 -0.724 27.9-156.6 -79.2 112.5 -7.4 2.2 -11.7 35 150 A Q E -CD 118 40A 45 83,-2.8 83,-1.1 -2,-0.8 82,-0.4 -0.733 29.3-178.3-102.9 145.0 -10.5 3.0 -9.8 36 151 A R E > S- D 0 39A 50 3,-2.0 3,-2.0 -2,-0.3 2,-0.4 -0.849 74.3 -57.2-135.2 91.3 -11.3 5.5 -7.0 37 152 A G T 3 S- 0 0 56 -2,-0.4 -1,-0.0 78,-0.3 79,-0.0 -0.565 119.0 -22.4 70.5-124.2 -14.9 5.1 -6.1 38 153 A N T 3 S+ 0 0 153 -2,-0.4 -1,-0.3 -3,-0.1 26,-0.2 0.512 123.9 92.4 -95.8 -6.0 -16.8 5.8 -9.3 39 154 A D E < S-D 36 0A 23 -3,-2.0 -3,-2.0 24,-0.1 2,-0.5 -0.437 71.5-138.2 -82.5 161.3 -13.9 7.7 -10.8 40 155 A V E -DE 35 61A 17 21,-2.1 21,-2.4 -5,-0.2 -5,-0.2 -0.899 16.1-173.0-122.4 96.0 -11.2 6.2 -12.9 41 156 A A E S+ 0 0 2 -7,-1.2 2,-0.4 -2,-0.5 68,-0.4 0.866 77.0 14.5 -56.1 -42.0 -7.9 7.7 -11.8 42 157 A F E -D 34 0A 0 -8,-1.2 -8,-2.8 -3,-0.1 2,-0.5 -0.928 64.8-172.7-146.0 115.3 -5.9 6.0 -14.6 43 158 A H E -DE 33 59A 17 16,-2.6 16,-1.4 -2,-0.4 2,-0.6 -0.946 3.2-173.0-108.8 119.5 -7.4 4.4 -17.7 44 159 A F E +DE 32 58A 1 -12,-2.4 -12,-2.2 -2,-0.5 14,-0.2 -0.964 12.1 175.5-115.3 109.7 -4.8 2.6 -19.9 45 160 A N E - E 0 57A 6 12,-2.4 12,-2.3 -2,-0.6 2,-0.2 -0.743 16.4-164.7-127.0 87.1 -6.6 1.6 -23.1 46 161 A P E - E 0 56A 0 0, 0.0 -16,-1.8 0, 0.0 2,-0.5 -0.502 12.4-162.0 -68.2 130.8 -4.6 -0.1 -26.0 47 162 A R E -BE 29 55A 63 8,-3.1 8,-2.2 -2,-0.2 3,-0.3 -0.968 12.2-164.5-119.2 118.1 -6.8 -0.0 -29.2 48 163 A F S S+ 0 0 15 -20,-1.9 2,-0.2 -2,-0.5 -19,-0.1 0.677 80.7 21.6 -75.2 -18.9 -5.8 -2.4 -32.0 49 164 A N + 0 0 90 -21,-0.6 2,-0.6 6,-0.1 -1,-0.2 -0.602 57.0 152.8-156.1 92.0 -7.8 -0.7 -34.7 50 165 A E S S- 0 0 56 3,-2.8 -3,-0.0 -3,-0.3 3,-0.0 -0.836 96.9 -28.4-117.7 88.4 -9.0 2.9 -34.6 51 166 A N S S- 0 0 143 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.953 122.9 -53.1 66.6 50.7 -9.2 3.9 -38.3 52 167 A N S S+ 0 0 143 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.740 119.8 110.9 55.3 27.8 -6.5 1.3 -39.2 53 168 A R - 0 0 158 2,-0.0 -3,-2.8 -3,-0.0 2,-0.4 -0.993 62.7-139.7-130.1 134.9 -4.2 2.9 -36.6 54 169 A R + 0 0 85 -2,-0.4 2,-0.3 -5,-0.2 -6,-0.2 -0.805 33.9 163.7 -94.7 137.0 -3.1 1.2 -33.4 55 170 A V E -E 47 0A 11 -8,-2.2 -8,-3.1 -2,-0.4 2,-0.6 -0.996 36.9-134.4-155.0 148.7 -3.0 3.5 -30.4 56 171 A I E -EF 46 72A 0 16,-2.5 16,-1.9 -2,-0.3 2,-0.5 -0.929 25.9-160.9-106.8 115.2 -2.9 3.5 -26.6 57 172 A V E -EF 45 71A 1 -12,-2.3 -12,-2.4 -2,-0.6 2,-0.4 -0.854 8.2-174.9-102.6 127.9 -5.3 5.9 -25.0 58 173 A C E +EF 44 70A 2 12,-2.1 12,-3.2 -2,-0.5 2,-0.3 -0.932 17.6 138.9-120.2 142.7 -4.9 7.1 -21.5 59 174 A N E -E 43 0A 3 -16,-1.4 -16,-2.6 -2,-0.4 2,-0.3 -0.944 39.9-118.2-163.8-179.1 -7.3 9.3 -19.5 60 175 A T E - 0 0 2 -2,-0.3 7,-2.6 -18,-0.2 2,-0.5 -0.974 16.8-144.1-133.5 144.9 -9.0 9.9 -16.2 61 176 A K E +EG 40 66A 54 -21,-2.4 -21,-2.1 -2,-0.3 2,-0.5 -0.961 19.2 179.6-116.5 120.2 -12.8 9.9 -15.4 62 177 A L E > S- G 0 65A 73 3,-2.5 3,-1.3 -2,-0.5 -23,-0.1 -0.979 70.4 -15.1-123.0 123.5 -14.0 12.4 -12.8 63 178 A D T 3 S- 0 0 132 -2,-0.5 -1,-0.2 1,-0.3 -24,-0.1 0.905 130.2 -50.7 52.0 46.9 -17.7 12.6 -11.9 64 179 A N T 3 S+ 0 0 124 -26,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.602 116.9 112.7 69.3 15.4 -18.7 10.6 -14.9 65 180 A N E < -G 62 0A 114 -3,-1.3 -3,-2.5 0, 0.0 2,-0.2 -0.969 62.3-136.0-123.9 124.1 -16.7 12.8 -17.3 66 181 A W E -G 61 0A 113 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.525 26.3-151.2 -73.5 139.9 -13.6 11.7 -19.2 67 182 A G - 0 0 41 -7,-2.6 2,-0.4 1,-0.2 -1,-0.1 0.159 44.5 -32.0 -90.5-150.2 -10.8 14.2 -19.2 68 183 A R - 0 0 162 1,-0.1 -1,-0.2 -9,-0.0 2,-0.1 -0.565 66.1-130.2 -71.7 121.1 -8.0 15.1 -21.6 69 184 A E - 0 0 85 -2,-0.4 2,-0.5 -10,-0.1 -10,-0.2 -0.457 12.1-154.2 -75.1 145.5 -6.8 12.0 -23.4 70 185 A E E -F 58 0A 49 -12,-3.2 -12,-2.1 -2,-0.1 2,-0.3 -0.963 18.0-161.9-120.9 109.2 -3.1 11.2 -23.6 71 186 A R E -F 57 0A 115 -2,-0.5 2,-0.4 -14,-0.2 -14,-0.2 -0.739 11.3-168.9-100.8 144.3 -2.3 9.1 -26.7 72 187 A Q E -F 56 0A 53 -16,-1.9 -16,-2.5 -2,-0.3 -2,-0.0 -0.995 11.0-167.0-131.3 124.7 0.7 7.0 -27.4 73 188 A S + 0 0 77 -2,-0.4 2,-0.2 -18,-0.2 -1,-0.1 0.761 63.9 100.1 -82.1 -28.1 1.5 5.5 -30.9 74 189 A V - 0 0 86 29,-0.1 -18,-0.1 -18,-0.1 -2,-0.1 -0.464 54.5-179.5 -59.0 124.7 4.2 3.1 -29.6 75 190 A F + 0 0 26 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.807 19.1 172.4-138.0 93.2 2.3 -0.1 -29.5 76 191 A P + 0 0 47 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.550 49.4 103.5 -77.4 -8.7 4.2 -3.3 -28.2 77 192 A F - 0 0 2 6,-0.0 2,-0.3 21,-0.0 6,-0.1 -0.465 46.6-175.1 -79.4 148.4 1.1 -5.6 -28.1 78 193 A E > - 0 0 95 3,-0.2 3,-2.0 -2,-0.1 -55,-0.3 -0.996 33.3-100.3-143.6 136.4 0.3 -8.2 -30.7 79 194 A S T 3 S+ 0 0 41 -2,-0.3 -55,-0.2 1,-0.3 46,-0.1 -0.269 106.9 11.3 -56.4 135.8 -2.6 -10.5 -31.1 80 195 A G T 3 S+ 0 0 35 -57,-0.9 -1,-0.3 -56,-0.5 -56,-0.1 0.350 102.9 116.5 78.6 -6.1 -2.0 -14.0 -29.9 81 196 A K < - 0 0 128 -3,-2.0 -58,-2.4 -57,-0.2 -3,-0.2 -0.742 67.2-115.3-101.6 144.1 1.3 -13.1 -28.1 82 197 A P E -I 22 0B 87 0, 0.0 2,-0.3 0, 0.0 -60,-0.3 -0.304 37.8-173.5 -68.1 158.0 2.0 -13.2 -24.4 83 198 A F E -I 21 0B 12 -62,-2.9 -62,-1.7 -6,-0.1 2,-0.4 -0.952 21.3-149.1-148.5 165.6 2.7 -9.9 -22.7 84 199 A K E -I 20 0B 56 -2,-0.3 15,-2.6 -64,-0.2 2,-0.5 -0.988 11.7-168.1-140.2 128.6 3.8 -8.4 -19.4 85 200 A I E -IJ 19 98B 1 -66,-2.5 -66,-2.8 -2,-0.4 2,-0.5 -0.981 3.2-170.5-119.7 130.8 2.6 -5.1 -18.1 86 201 A Q E -IJ 18 97B 41 11,-2.9 11,-2.6 -2,-0.5 2,-0.6 -0.988 4.2-167.4-123.7 128.0 4.3 -3.4 -15.2 87 202 A V E -IJ 17 96B 1 -70,-2.7 -70,-2.8 -2,-0.5 2,-0.5 -0.954 6.0-168.0-117.4 111.6 2.9 -0.3 -13.5 88 203 A L E -IJ 16 95B 30 7,-3.0 7,-3.3 -2,-0.6 2,-0.5 -0.867 15.6-137.7-100.4 129.1 5.3 1.4 -11.1 89 204 A V E + J 0 94B 0 -74,-2.9 -75,-2.7 -2,-0.5 -74,-0.2 -0.764 23.1 179.1 -92.7 127.4 3.8 4.0 -8.8 90 205 A E - 0 0 25 3,-2.7 176,-0.1 -2,-0.5 3,-0.1 -0.791 43.4-107.8-116.3 160.7 5.7 7.3 -8.3 91 206 A P S S+ 0 0 5 0, 0.0 175,-2.1 0, 0.0 22,-0.1 0.818 119.8 30.4 -61.0 -27.1 4.5 10.2 -6.1 92 207 A D S S+ 0 0 12 173,-0.2 16,-1.6 1,-0.2 2,-0.3 0.559 127.0 3.9-108.3 -12.2 3.9 12.2 -9.3 93 208 A H E - K 0 107B 6 14,-0.3 -3,-2.7 -3,-0.1 2,-0.5 -0.991 64.0-104.0-164.2 170.6 3.0 9.6 -11.9 94 209 A F E -JK 89 106B 2 12,-2.5 12,-2.4 -2,-0.3 2,-0.5 -0.902 33.8-150.9-101.5 129.2 2.2 6.1 -13.0 95 210 A K E -JK 88 105B 56 -7,-3.3 -7,-3.0 -2,-0.5 2,-0.5 -0.920 11.6-163.1-106.1 123.6 5.1 4.5 -14.9 96 211 A V E +JK 87 104B 1 8,-3.2 7,-2.9 -2,-0.5 8,-1.9 -0.922 11.4 175.8-114.4 126.9 4.1 1.8 -17.4 97 212 A A E -JK 86 102B 18 -11,-2.6 -11,-2.9 -2,-0.5 2,-0.4 -0.969 10.9-160.5-125.1 140.8 6.5 -0.7 -19.0 98 213 A V E > S-JK 85 101B 2 3,-2.5 3,-2.2 -2,-0.4 -13,-0.2 -0.981 76.1 -5.2-124.6 133.6 5.5 -3.5 -21.3 99 214 A N T 3 S- 0 0 74 -15,-2.6 -1,-0.2 -2,-0.4 -14,-0.1 0.885 131.3 -57.6 52.0 41.1 7.6 -6.6 -22.0 100 215 A D T 3 S+ 0 0 114 -16,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.491 115.9 111.5 70.7 7.1 10.3 -5.0 -19.8 101 216 A A E < S-K 98 0B 59 -3,-2.2 -3,-2.5 1,-0.0 -1,-0.2 -0.935 75.9-108.6-114.8 133.2 10.6 -1.9 -21.9 102 217 A H E +K 97 0B 117 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.301 40.7 170.6 -55.9 136.4 9.4 1.6 -20.7 103 218 A L E - 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