==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GALECTIN 22-JAN-98 1A3K . COMPND 2 MOLECULE: GALECTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.SEETHARAMAN,A.KANIGSBERG,R.SLAABY,H.LEFFLER,S.H.BARONDES,J . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 75.9 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 . 69 50.4 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 . 5 3.6 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 . 20 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.6 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 . 1 1 1 1 2 3 1 0 1 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 1 0 0 1 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 1 114 A L 0 0 89 0, 0.0 128,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 138.3 22.0 -3.3 -6.7 2 115 A I - 0 0 140 2,-0.1 126,-0.1 126,-0.1 0, 0.0 -0.620 360.0-109.2 -77.5 133.9 21.1 -5.9 -4.1 3 116 A V S S+ 0 0 41 -2,-0.3 121,-0.2 124,-0.1 2,-0.1 -0.882 104.6 53.1-107.2 138.7 17.4 -6.6 -3.6 4 117 A P S S- 0 0 106 0, 0.0 2,-0.4 0, 0.0 120,-0.2 0.468 89.4-177.3 -68.4 136.0 15.7 -5.8 -1.3 5 118 A Y E -A 123 0A 75 118,-2.8 118,-3.0 -2,-0.1 2,-0.5 -0.888 19.3-149.7-110.6 144.0 17.1 -2.4 -2.0 6 119 A N E -A 122 0A 69 -2,-0.4 116,-0.2 116,-0.2 114,-0.0 -0.962 8.2-169.9-118.3 118.7 16.4 0.8 -0.0 7 120 A L E -A 121 0A 15 114,-3.0 114,-2.1 -2,-0.5 2,-0.2 -0.937 16.1-145.8-108.8 108.8 16.5 4.2 -1.8 8 121 A P E -A 120 0A 67 0, 0.0 112,-0.3 0, 0.0 111,-0.0 -0.564 1.8-152.4 -73.0 141.7 16.4 7.0 0.6 9 122 A L > - 0 0 1 110,-2.6 3,-2.4 -2,-0.2 2,-0.1 -0.891 22.3-135.0-116.3 92.2 14.5 10.1 -0.6 10 123 A P T 3 S+ 0 0 96 0, 0.0 110,-0.1 0, 0.0 109,-0.0 -0.273 85.8 4.4 -50.9 119.7 16.1 13.0 1.3 11 124 A G T 3 S- 0 0 68 108,-0.1 107,-0.1 -2,-0.1 108,-0.1 0.562 120.1 -89.8 81.5 6.3 13.5 15.4 2.6 12 125 A G < - 0 0 6 -3,-2.4 104,-0.3 107,-0.2 107,-0.2 -0.142 64.0 -44.0 82.6 179.5 10.7 13.2 1.5 13 126 A V - 0 0 5 102,-1.7 105,-0.2 105,-0.7 104,-0.1 -0.510 52.7-175.3 -86.9 159.7 8.8 13.2 -1.8 14 127 A V > - 0 0 70 -2,-0.2 3,-1.7 102,-0.1 77,-0.2 -0.978 36.8 -84.8-151.5 146.6 7.6 16.3 -3.6 15 128 A P T 3 S+ 0 0 43 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.286 115.7 32.2 -53.1 147.9 5.5 17.0 -6.7 16 129 A R T 3 S+ 0 0 155 75,-2.7 121,-2.7 1,-0.3 2,-0.4 0.360 87.3 132.2 80.5 -2.0 7.6 17.0 -9.9 17 130 A M E < -H 136 0B 10 -3,-1.7 74,-2.9 74,-0.4 2,-0.5 -0.698 40.6-162.3 -82.3 128.7 9.9 14.4 -8.4 18 131 A L E -HI 135 90B 27 117,-3.2 117,-2.0 -2,-0.4 2,-0.5 -0.954 6.6-164.7-119.0 123.5 10.5 11.5 -10.8 19 132 A I E -HI 134 89B 0 70,-2.9 70,-2.4 -2,-0.5 2,-0.5 -0.886 5.5-164.8-107.7 130.4 11.8 8.1 -9.7 20 133 A T E -HI 133 88B 28 113,-2.9 113,-2.4 -2,-0.5 2,-0.4 -0.966 5.2-174.3-119.8 127.1 13.2 5.7 -12.4 21 134 A I E -HI 132 87B 1 66,-2.9 66,-2.8 -2,-0.5 2,-0.4 -0.989 2.2-172.6-122.1 124.9 13.7 2.0 -11.7 22 135 A L E +HI 131 86B 69 109,-2.4 108,-2.4 -2,-0.4 109,-2.2 -0.957 25.6 123.1-116.9 135.6 15.4 -0.3 -14.3 23 136 A G E -HI 129 85B 3 62,-1.7 62,-2.6 -2,-0.4 2,-0.4 -0.937 51.5-103.0-168.2-171.9 15.6 -4.0 -13.9 24 137 A T E -HI 128 84B 39 104,-1.9 104,-2.4 60,-0.3 2,-0.3 -0.993 31.0-123.3-132.6 134.2 14.9 -7.4 -15.4 25 138 A V E -H 127 0B 0 58,-2.1 57,-0.6 55,-0.4 102,-0.2 -0.641 34.0-119.5 -76.0 134.5 12.1 -9.7 -14.2 26 139 A K > - 0 0 82 100,-2.6 3,-1.1 -2,-0.3 56,-0.6 -0.354 32.8 -96.8 -70.8 152.9 13.5 -13.0 -13.2 27 140 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 55,-0.0 -0.532 113.4 19.2 -68.4 142.8 12.3 -16.1 -15.0 28 141 A N T 3 S+ 0 0 160 1,-0.2 2,-0.1 -2,-0.2 -2,-0.1 0.848 92.9 176.5 66.8 30.6 9.5 -17.8 -13.1 29 142 A A < - 0 0 10 -3,-1.1 -1,-0.2 1,-0.1 52,-0.1 -0.374 22.0-174.9 -69.5 146.5 9.0 -14.6 -11.1 30 143 A N - 0 0 89 1,-0.4 20,-2.2 20,-0.1 21,-0.7 0.711 59.5 -4.8-111.5 -35.1 6.1 -14.5 -8.6 31 144 A R B -B 49 0A 84 18,-0.2 95,-3.2 19,-0.1 -1,-0.4 -0.995 42.0-159.2-160.7 162.6 6.1 -10.8 -7.4 32 145 A I E -C 125 0A 1 16,-1.7 2,-0.4 -2,-0.3 93,-0.3 -0.962 18.3-168.7-138.6 146.9 7.6 -7.4 -7.4 33 146 A A E -C 124 0A 0 91,-2.4 91,-2.5 -2,-0.3 2,-0.5 -0.982 15.5-172.2-148.3 133.0 7.1 -4.7 -4.7 34 147 A L E -CD 123 46A 2 12,-1.7 12,-2.4 -2,-0.4 2,-0.5 -0.986 15.5-167.4-117.8 127.4 7.8 -1.0 -4.4 35 148 A D E -CD 122 45A 25 87,-2.8 87,-2.6 -2,-0.5 2,-0.7 -0.937 10.7-160.2-124.4 107.0 7.1 0.3 -0.9 36 149 A F E -CD 121 44A 0 8,-2.8 7,-2.4 -2,-0.5 8,-1.1 -0.789 28.2-155.6 -83.3 114.6 7.0 4.1 -0.3 37 150 A Q E -CD 120 42A 52 83,-2.7 83,-1.1 -2,-0.7 82,-1.0 -0.779 33.4-175.9-107.5 141.8 7.5 4.3 3.4 38 151 A R E > S- D 0 41A 71 3,-2.3 3,-1.8 -2,-0.4 2,-0.2 -0.880 77.9 -61.1-124.1 86.3 6.7 6.9 6.0 39 152 A G T 3 S- 0 0 64 -2,-0.5 -1,-0.1 1,-0.3 81,-0.0 -0.479 118.5 -16.9 69.7-133.1 8.3 5.3 9.1 40 153 A N T 3 S+ 0 0 116 -2,-0.2 -1,-0.3 -3,-0.1 26,-0.2 0.655 123.0 92.1 -76.9 -18.5 6.7 1.9 9.6 41 154 A D E < S-D 38 0A 18 -3,-1.8 -3,-2.3 24,-0.1 2,-0.7 -0.490 72.6-137.8 -77.1 149.8 3.7 2.9 7.4 42 155 A V E -DE 37 63A 10 21,-2.1 21,-2.4 -5,-0.2 -5,-0.3 -0.931 15.1-171.5-108.5 107.5 3.7 2.1 3.7 43 156 A A E S+ 0 0 2 -7,-2.4 68,-0.4 -2,-0.7 2,-0.3 0.863 77.3 8.1 -63.8 -39.9 2.3 5.2 1.9 44 157 A F E -D 36 0A 1 -8,-1.1 -8,-2.8 67,-0.1 2,-0.5 -0.947 64.8-168.8-150.1 117.7 2.1 3.4 -1.5 45 158 A H E -DE 35 61A 16 16,-2.5 16,-1.9 -2,-0.3 2,-0.6 -0.979 5.9-168.8-110.4 118.3 2.6 -0.3 -2.0 46 159 A F E +DE 34 60A 0 -12,-2.4 -12,-1.7 -2,-0.5 14,-0.2 -0.954 13.1 176.5-111.2 114.3 2.8 -1.2 -5.8 47 160 A N E - E 0 59A 4 12,-3.0 12,-1.9 -2,-0.6 2,-0.3 -0.706 18.2-168.0-132.6 84.1 2.7 -4.9 -6.2 48 161 A P E - E 0 58A 0 0, 0.0 -16,-1.7 0, 0.0 2,-0.5 -0.519 14.6-162.0 -66.8 128.9 2.6 -6.7 -9.5 49 162 A R E -BE 31 57A 63 8,-3.5 8,-2.3 -2,-0.3 3,-0.4 -0.972 10.9-164.7-117.7 118.3 1.7 -10.4 -8.8 50 163 A F S S+ 0 0 15 -20,-2.2 2,-0.3 -2,-0.5 -19,-0.1 0.783 82.2 26.9 -73.7 -28.7 2.5 -12.9 -11.6 51 164 A N + 0 0 84 -21,-0.7 2,-0.7 3,-0.1 -1,-0.2 -0.639 62.6 150.5-140.1 85.3 0.4 -15.7 -10.4 52 165 A E S S- 0 0 49 3,-3.5 3,-0.2 -3,-0.4 -3,-0.1 -0.904 96.0 -26.1-113.5 99.4 -2.7 -14.9 -8.3 53 166 A N S S- 0 0 138 -2,-0.7 -1,-0.2 1,-0.2 3,-0.1 0.912 124.9 -54.7 61.9 40.8 -5.1 -17.7 -9.0 54 167 A N S S+ 0 0 142 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.831 119.4 116.1 61.3 32.0 -3.4 -18.1 -12.4 55 168 A R - 0 0 176 -3,-0.2 -3,-3.5 2,-0.0 2,-0.6 -0.948 64.3-135.3-128.3 147.0 -4.0 -14.4 -13.1 56 169 A R + 0 0 124 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.941 41.0 161.8-102.9 120.7 -1.4 -11.6 -13.5 57 170 A V E -E 49 0A 13 -8,-2.3 -8,-3.5 -2,-0.6 2,-0.5 -0.979 37.3-133.9-142.4 151.1 -2.6 -8.6 -11.5 58 171 A I E -EF 48 74A 0 16,-2.5 16,-2.4 -2,-0.3 2,-0.5 -0.948 22.4-162.8-108.6 123.0 -1.2 -5.4 -10.0 59 172 A V E -EF 47 73A 1 -12,-1.9 -12,-3.0 -2,-0.5 2,-0.4 -0.934 5.1-171.5-108.7 130.7 -2.2 -4.6 -6.4 60 173 A C E +EF 46 72A 4 12,-2.7 12,-2.3 -2,-0.5 2,-0.3 -0.978 19.8 143.0-121.0 134.0 -1.8 -1.1 -4.9 61 174 A N E -E 45 0A 2 -16,-1.9 -16,-2.5 -2,-0.4 2,-0.4 -0.952 39.0-125.8-159.5 175.6 -2.4 -0.3 -1.3 62 175 A T E - 0 0 3 -2,-0.3 7,-1.8 -18,-0.2 2,-0.5 -0.969 16.9-150.9-129.7 141.5 -1.4 1.6 1.8 63 176 A K E -EG 42 68A 43 -21,-2.4 -21,-2.1 -2,-0.4 2,-0.5 -0.973 15.2-179.2-119.9 121.1 -0.5 0.2 5.2 64 177 A L E > - G 0 67A 78 3,-2.6 3,-1.6 -2,-0.5 -23,-0.1 -0.980 69.8 -11.7-124.1 123.9 -1.3 2.3 8.3 65 178 A D T 3 S- 0 0 131 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.909 131.0 -50.0 54.3 49.9 -0.4 1.0 11.8 66 179 A N T 3 S+ 0 0 116 1,-0.2 2,-0.5 -26,-0.2 -1,-0.3 0.435 117.7 114.6 72.2 0.4 0.3 -2.5 10.6 67 180 A N E < -G 64 0A 110 -3,-1.6 -3,-2.6 0, 0.0 -1,-0.2 -0.901 59.8-140.8-110.0 131.2 -3.0 -2.6 8.7 68 181 A W E -G 63 0A 117 -2,-0.5 -5,-0.2 -5,-0.3 3,-0.1 -0.484 24.0-151.9 -79.7 149.1 -3.5 -2.8 5.0 69 182 A G - 0 0 43 -7,-1.8 2,-0.5 1,-0.2 -1,-0.1 0.007 43.9 -32.8-100.8-145.9 -6.3 -0.7 3.6 70 183 A R - 0 0 159 1,-0.1 -1,-0.2 -2,-0.1 -8,-0.1 -0.627 65.9-130.6 -79.7 121.5 -8.6 -0.9 0.5 71 184 A E - 0 0 81 -2,-0.5 2,-0.5 -10,-0.1 -10,-0.2 -0.413 12.6-155.9 -73.7 145.0 -6.8 -2.6 -2.4 72 185 A E E -F 60 0A 56 -12,-2.3 -12,-2.7 -2,-0.1 2,-0.4 -0.997 17.8-160.9-119.6 122.6 -6.8 -1.0 -5.8 73 186 A R E -F 59 0A 114 -2,-0.5 2,-0.4 -14,-0.2 -14,-0.2 -0.889 10.4-163.2-113.8 142.2 -6.2 -3.6 -8.6 74 187 A Q E -F 58 0A 54 -16,-2.4 -16,-2.5 -2,-0.4 32,-0.0 -0.980 9.2-166.3-123.5 129.8 -5.1 -3.2 -12.2 75 188 A S + 0 0 103 -2,-0.4 2,-0.5 -18,-0.2 -1,-0.1 0.752 65.7 97.8 -83.2 -28.8 -5.5 -5.9 -14.8 76 189 A V - 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