==== 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 3AYD . COMPND 2 MOLECULE: GALECTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.F.BIAN,D.F.LI,D.C.WANG . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 74.1 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 . 69 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 . 5 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 . 18 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 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 . 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 1 116 A M 0 0 182 0, 0.0 2,-0.1 0, 0.0 122,-0.1 0.000 360.0 360.0 360.0 163.1 -28.8 -1.6 17.4 2 117 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 120,-0.2 -0.311 360.0-129.5-104.8-170.2 -27.1 -0.4 14.2 3 118 A Y E -A 121 0A 139 118,-2.1 118,-2.9 -2,-0.1 2,-0.5 -0.972 14.6-134.4-140.5 152.0 -25.7 -1.8 11.0 4 119 A N E -A 120 0A 55 -2,-0.3 116,-0.2 116,-0.2 114,-0.0 -0.945 6.1-158.1-116.1 125.9 -22.4 -1.2 9.2 5 120 A L E -A 119 0A 15 114,-2.8 114,-2.2 -2,-0.5 2,-0.1 -0.882 21.8-139.9-100.5 108.0 -22.0 -0.5 5.5 6 121 A P E -A 118 0A 68 0, 0.0 112,-0.3 0, 0.0 111,-0.1 -0.417 13.3-165.3 -67.8 141.8 -18.4 -1.4 4.5 7 122 A L > - 0 0 0 110,-3.2 3,-2.8 1,-0.1 111,-0.1 -0.686 7.9-176.1-128.2 73.6 -16.8 0.9 2.0 8 123 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.747 83.6 38.5 -40.5 -42.7 -13.8 -1.2 0.8 9 124 A G T 3 S- 0 0 64 1,-0.3 107,-0.1 107,-0.0 108,-0.1 0.325 114.5-122.2 -96.6 9.3 -12.2 1.5 -1.4 10 125 A G < - 0 0 3 -3,-2.8 -1,-0.3 107,-0.2 2,-0.3 -0.211 51.0 -38.1 78.3-176.7 -13.1 4.2 1.1 11 126 A V + 0 0 3 102,-2.5 105,-0.2 105,-0.2 104,-0.1 -0.650 66.7 177.2 -82.9 138.6 -15.2 7.3 0.2 12 127 A V > - 0 0 58 -2,-0.3 3,-1.7 102,-0.1 77,-0.2 -0.989 36.8 -89.6-142.2 148.6 -14.7 8.7 -3.3 13 128 A P T 3 S+ 0 0 42 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.293 112.2 32.4 -57.8 144.5 -16.2 11.5 -5.3 14 129 A R T 3 S+ 0 0 103 75,-2.9 121,-2.4 1,-0.3 2,-0.3 0.266 85.3 136.1 89.5 -7.0 -19.2 10.4 -7.4 15 130 A M E < -H 134 0B 6 -3,-1.7 74,-2.6 74,-0.3 2,-0.5 -0.569 37.2-164.0 -74.3 130.3 -20.2 7.8 -4.8 16 131 A L E -HI 133 88B 41 117,-3.2 117,-1.8 -2,-0.3 2,-0.4 -0.974 2.1-165.7-120.4 120.9 -23.9 7.8 -4.1 17 132 A I E -HI 132 87B 0 70,-2.7 70,-2.7 -2,-0.5 2,-0.5 -0.893 3.2-165.7-107.1 131.7 -25.3 6.1 -1.0 18 133 A T E -HI 131 86B 30 113,-2.8 113,-2.3 -2,-0.4 2,-0.5 -0.976 4.7-170.1-123.0 124.8 -29.0 5.3 -0.7 19 134 A I E -HI 130 85B 0 66,-3.3 66,-2.6 -2,-0.5 2,-0.4 -0.964 7.6-171.7-115.4 118.5 -30.6 4.3 2.6 20 135 A L E +HI 129 84B 56 109,-3.1 108,-3.4 -2,-0.5 109,-1.7 -0.928 27.9 107.9-112.6 132.8 -34.2 3.1 2.4 21 136 A G E -HI 127 83B 4 62,-2.0 62,-2.9 -2,-0.4 2,-0.4 -0.939 57.0 -92.9-172.5-165.1 -36.3 2.5 5.4 22 137 A T E -HI 126 82B 49 104,-1.8 104,-2.6 60,-0.3 2,-0.3 -1.000 34.6-119.7-136.8 134.0 -39.2 3.4 7.7 23 138 A V E -H 125 0B 2 58,-2.8 57,-0.8 -2,-0.4 102,-0.3 -0.578 34.5-119.9 -73.9 132.2 -39.0 5.6 10.8 24 139 A K > - 0 0 64 100,-2.4 56,-0.8 -2,-0.3 3,-0.6 -0.257 39.8 -84.3 -67.4 158.8 -40.2 3.7 13.9 25 140 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 55,-0.0 -0.319 113.0 11.8 -63.2 150.3 -43.1 5.1 15.8 26 141 A N T 3 S- 0 0 153 1,-0.1 -2,-0.1 -3,-0.1 2,-0.1 0.929 92.2-163.1 45.4 55.8 -42.3 7.8 18.4 27 142 A A < - 0 0 10 -3,-0.6 52,-0.1 1,-0.1 -1,-0.1 -0.366 22.8-178.0 -69.9 147.9 -38.8 8.1 17.0 28 143 A N - 0 0 91 1,-0.4 20,-2.1 20,-0.1 21,-0.7 0.719 61.4 -8.0-112.2 -43.6 -36.1 9.9 19.0 29 144 A R B -B 47 0A 85 18,-0.2 95,-3.2 19,-0.1 -1,-0.4 -0.991 43.0-159.9-156.0 162.4 -33.1 9.9 16.8 30 145 A I E -C 123 0A 0 16,-1.5 2,-0.3 -2,-0.3 93,-0.3 -0.957 19.9-169.8-138.1 147.8 -31.4 8.7 13.5 31 146 A A E -C 122 0A 0 91,-2.5 91,-2.9 -2,-0.3 2,-0.5 -0.952 17.1-171.4-153.1 130.9 -27.7 8.6 13.0 32 147 A L E -CD 121 44A 1 12,-2.2 12,-2.4 -2,-0.3 2,-0.5 -0.972 14.6-169.3-115.4 129.5 -25.3 8.1 10.0 33 148 A D E -CD 120 43A 25 87,-2.7 87,-3.0 -2,-0.5 2,-0.7 -0.881 11.0-163.7-128.9 100.6 -21.6 7.8 11.0 34 149 A F E -CD 119 42A 0 8,-2.8 7,-1.3 -2,-0.5 8,-1.3 -0.737 27.6-155.3 -80.9 116.8 -19.0 7.9 8.3 35 150 A Q E -CD 118 40A 56 83,-2.6 83,-1.0 -2,-0.7 82,-0.6 -0.762 29.2-177.2-107.0 144.7 -15.9 6.5 10.1 36 151 A R E > S- D 0 39A 44 3,-2.5 3,-2.2 -2,-0.3 2,-0.3 -0.846 71.8 -61.2-132.9 91.1 -12.2 6.9 9.6 37 152 A G T 3 S- 0 0 59 -2,-0.4 -1,-0.1 78,-0.3 80,-0.0 -0.524 119.5 -17.7 67.7-128.3 -10.5 4.7 12.2 38 153 A N T 3 S+ 0 0 159 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.509 125.3 91.8 -86.6 -5.8 -11.5 6.0 15.6 39 154 A D E < S-D 36 0A 27 -3,-2.2 -3,-2.5 24,-0.1 2,-0.6 -0.526 70.4-140.8 -88.2 156.5 -12.6 9.3 14.0 40 155 A V E -DE 35 61A 15 21,-2.1 21,-2.3 -5,-0.2 -5,-0.3 -0.926 14.7-171.7-117.4 99.7 -16.1 10.1 12.7 41 156 A A E S+ 0 0 3 -7,-1.3 69,-0.4 -2,-0.6 68,-0.4 0.884 76.0 12.1 -59.0 -42.1 -15.6 12.0 9.5 42 157 A F E -D 34 0A 0 -8,-1.3 -8,-2.8 -3,-0.1 2,-0.5 -0.937 63.3-172.1-147.5 118.7 -19.2 12.9 9.1 43 158 A H E -DE 33 59A 16 16,-2.3 16,-1.6 -2,-0.3 2,-0.6 -0.956 3.9-171.4-111.9 114.6 -22.0 12.5 11.7 44 159 A F E +DE 32 58A 0 -12,-2.4 -12,-2.2 -2,-0.5 14,-0.2 -0.947 13.8 175.4-109.5 111.3 -25.6 13.2 10.4 45 160 A N E - E 0 57A 5 12,-3.1 12,-2.3 -2,-0.6 2,-0.5 -0.765 17.8-166.7-128.8 88.6 -27.9 13.2 13.4 46 161 A P E - E 0 56A 0 0, 0.0 -16,-1.5 0, 0.0 2,-0.7 -0.599 12.0-161.2 -72.9 121.3 -31.6 14.0 13.2 47 162 A R E -BE 29 55A 59 8,-3.5 8,-2.3 -2,-0.5 3,-0.5 -0.912 6.2-167.5-107.7 111.3 -32.9 14.6 16.7 48 163 A F S S+ 0 0 16 -20,-2.1 -1,-0.1 -2,-0.7 2,-0.1 0.807 79.5 16.2 -68.1 -34.9 -36.7 14.3 16.8 49 164 A N S S+ 0 0 97 -21,-0.7 2,-0.7 3,-0.1 -1,-0.2 -0.560 70.7 153.3-144.8 77.1 -37.4 15.8 20.3 50 165 A E S S- 0 0 62 3,-2.9 3,-0.3 -3,-0.5 -3,-0.1 -0.919 86.6 -20.3-108.0 108.9 -34.4 17.7 21.8 51 166 A N S S- 0 0 140 -2,-0.7 -1,-0.2 1,-0.2 3,-0.1 0.914 128.0 -53.6 59.8 43.8 -35.7 20.4 24.2 52 167 A N S S+ 0 0 144 1,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.801 121.8 96.6 60.4 34.3 -39.1 20.2 22.6 53 168 A R S S- 0 0 158 -3,-0.3 -3,-2.9 2,-0.0 2,-0.5 -0.983 70.2-125.1-148.0 156.1 -37.8 20.8 19.1 54 169 A R + 0 0 158 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.883 40.9 159.2-102.6 133.9 -36.7 18.9 16.0 55 170 A V E -E 47 0A 12 -8,-2.3 -8,-3.5 -2,-0.5 2,-0.5 -0.996 36.1-133.3-154.5 151.6 -33.2 19.6 14.8 56 171 A I E -EF 46 72A 1 16,-2.5 16,-1.3 -2,-0.3 2,-0.4 -0.944 22.0-164.4-111.0 122.0 -30.5 18.0 12.6 57 172 A V E -EF 45 71A 0 -12,-2.3 -12,-3.1 -2,-0.5 2,-0.4 -0.901 6.2-175.9-108.3 131.6 -27.0 18.0 14.0 58 173 A C E +EF 44 70A 4 12,-2.5 12,-2.4 -2,-0.4 2,-0.3 -0.978 18.7 143.6-124.7 139.3 -23.9 17.4 11.8 59 174 A N E -E 43 0A 3 -16,-1.6 -16,-2.3 -2,-0.4 2,-0.4 -0.973 39.6-118.3-163.2 175.9 -20.4 17.1 13.2 60 175 A T E - 0 0 5 -2,-0.3 7,-2.2 -18,-0.2 2,-0.5 -0.987 16.5-149.5-129.8 136.8 -17.0 15.5 13.1 61 176 A K E +EG 40 66A 30 -21,-2.3 -21,-2.1 -2,-0.4 2,-0.4 -0.934 22.9 169.8-110.1 120.6 -15.2 13.6 15.8 62 177 A L E > - G 0 65A 67 3,-2.8 3,-2.3 -2,-0.5 -23,-0.1 -0.990 66.0 -1.4-132.0 138.7 -11.4 13.8 15.9 63 178 A D T 3 S- 0 0 138 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.886 130.7 -58.1 49.2 42.1 -9.0 12.5 18.6 64 179 A N T 3 S+ 0 0 134 -26,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.611 119.2 106.7 65.7 14.9 -12.0 11.4 20.6 65 180 A N E < -G 62 0A 118 -3,-2.3 -3,-2.8 0, 0.0 2,-0.2 -0.983 66.4-129.5-127.9 136.6 -13.5 14.9 20.6 66 181 A W E -G 61 0A 115 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.531 25.2-144.1 -78.9 147.1 -16.4 16.4 18.7 67 182 A G - 0 0 41 -7,-2.2 2,-0.4 -2,-0.2 -1,-0.1 -0.013 46.8 -43.3 -93.2-158.4 -15.8 19.6 16.8 68 183 A R - 0 0 221 1,-0.1 -1,-0.2 -9,-0.1 -8,-0.1 -0.590 66.9-126.9 -73.4 122.6 -18.1 22.6 16.2 69 184 A E - 0 0 83 -2,-0.4 2,-0.5 -10,-0.1 -10,-0.2 -0.274 10.2-147.3 -69.8 154.6 -21.6 21.4 15.3 70 185 A E E -F 58 0A 76 -12,-2.4 -12,-2.5 2,-0.0 2,-0.3 -0.998 26.8-175.3-121.6 121.3 -23.5 22.5 12.2 71 186 A R E +F 57 0A 121 -2,-0.5 2,-0.3 -14,-0.2 -14,-0.2 -0.833 15.1 177.4-121.3 159.1 -27.3 22.6 12.9 72 187 A Q E -F 56 0A 48 -16,-1.3 -16,-2.5 -2,-0.3 -2,-0.0 -0.981 24.2-145.2-156.7 149.3 -30.5 23.2 10.9 73 188 A S + 0 0 79 -2,-0.3 2,-0.1 -18,-0.2 -19,-0.1 0.751 66.7 105.6 -90.1 -26.9 -34.2 23.2 11.7 74 189 A V - 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