==== 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 3AYA . COMPND 2 MOLECULE: GALECTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.F.BIAN,D.F.LI,D.C.WANG . 272 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 77.2 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 . 136 50.0 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 . 47 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 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 . 2 2 4 0 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 55 0, 0.0 2,-0.4 0, 0.0 122,-0.3 0.000 360.0 360.0 360.0 152.6 1.1 15.9 -30.0 2 117 A P + 0 0 118 0, 0.0 2,-0.2 0, 0.0 120,-0.1 -0.977 360.0 118.5-135.6 121.2 2.2 15.7 -26.3 3 118 A Y - 0 0 46 -2,-0.4 118,-3.3 118,-0.1 2,-0.5 -0.794 35.7-150.8-178.1 137.4 0.0 15.7 -23.2 4 119 A N E -A 120 0A 66 116,-0.2 116,-0.2 -2,-0.2 118,-0.0 -0.955 4.5-156.4-122.8 124.0 -0.8 13.5 -20.2 5 120 A L E -A 119 0A 2 114,-3.1 114,-2.1 -2,-0.5 2,-0.1 -0.830 24.4-137.2 -95.4 105.5 -4.1 13.4 -18.2 6 121 A P E -A 118 0A 57 0, 0.0 112,-0.2 0, 0.0 111,-0.1 -0.383 12.0-160.8 -63.8 136.4 -3.4 12.1 -14.7 7 122 A L > - 0 0 2 110,-2.9 3,-2.8 -2,-0.1 2,-0.1 -0.697 10.9-158.5-118.0 75.4 -5.9 9.6 -13.5 8 123 A P T 3 S+ 0 0 94 0, 0.0 110,-0.0 0, 0.0 109,-0.0 -0.343 82.4 19.9 -57.0 126.6 -5.4 9.6 -9.7 9 124 A G T 3 S- 0 0 72 105,-0.1 107,-0.1 -2,-0.1 108,-0.1 0.225 117.4-109.8 97.1 -14.5 -6.7 6.3 -8.3 10 125 A G < - 0 0 4 -3,-2.8 104,-0.3 107,-0.2 2,-0.2 -0.229 56.9 -30.9 84.0-176.3 -6.5 4.8 -11.7 11 126 A V + 0 0 3 102,-2.1 105,-0.2 105,-0.2 104,-0.1 -0.536 64.7 174.9 -77.6 143.0 -9.3 3.7 -14.1 12 127 A V > - 0 0 63 -2,-0.2 3,-1.7 102,-0.1 77,-0.2 -0.996 37.4 -86.7-149.6 147.8 -12.5 2.6 -12.5 13 128 A P T 3 S+ 0 0 44 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.190 112.3 30.2 -54.3 149.3 -16.0 1.6 -13.7 14 129 A R T 3 S+ 0 0 151 75,-2.4 121,-1.4 1,-0.3 2,-0.4 0.355 87.2 135.4 81.2 -4.5 -18.5 4.5 -14.3 15 130 A M E < -H 134 0B 3 -3,-1.7 74,-3.1 74,-0.3 2,-0.5 -0.622 38.2-163.8 -78.0 131.2 -15.6 6.8 -15.1 16 131 A L E -HI 133 88B 33 117,-3.3 117,-1.4 -2,-0.4 2,-0.5 -0.966 1.3-164.5-121.0 115.9 -16.3 8.9 -18.1 17 132 A I E -HI 132 87B 0 70,-3.1 70,-2.7 -2,-0.5 2,-0.5 -0.854 4.8-161.5-101.8 131.4 -13.3 10.7 -19.9 18 133 A T E -HI 131 86B 6 113,-3.0 113,-2.2 -2,-0.5 2,-0.5 -0.950 6.9-172.2-118.8 130.4 -14.0 13.5 -22.3 19 134 A I E -HI 130 85B 1 66,-2.9 66,-2.6 -2,-0.5 2,-0.4 -0.985 6.0-176.3-121.8 118.2 -11.6 14.8 -24.9 20 135 A L E +HI 129 84B 19 109,-2.6 108,-2.9 -2,-0.5 109,-1.8 -0.927 25.2 109.8-117.3 138.5 -12.4 17.9 -26.9 21 136 A G E -HI 127 83B 4 62,-1.8 62,-3.0 -2,-0.4 2,-0.4 -0.970 56.8 -93.0-177.8-171.4 -10.3 19.4 -29.7 22 137 A T E -HI 126 82B 47 104,-1.8 104,-2.8 -2,-0.3 2,-0.3 -0.998 35.1-121.1-130.6 129.5 -9.9 20.1 -33.4 23 138 A V E -H 125 0B 1 58,-2.4 57,-1.7 -2,-0.4 102,-0.3 -0.537 36.9-116.0 -70.3 130.9 -8.1 17.8 -35.8 24 139 A K > - 0 0 70 100,-2.3 3,-1.1 -2,-0.3 56,-0.5 -0.153 35.6 -88.9 -64.0 160.3 -5.2 19.6 -37.4 25 140 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 54,-0.0 -0.460 113.7 13.5 -69.9 144.1 -5.1 20.3 -41.2 26 141 A N T 3 S- 0 0 156 1,-0.1 -2,-0.1 -2,-0.1 22,-0.0 0.844 93.4-170.4 59.4 34.0 -3.5 17.5 -43.2 27 142 A A < - 0 0 12 -3,-1.1 -1,-0.1 1,-0.1 52,-0.1 -0.181 20.9-179.8 -57.0 147.6 -3.7 15.3 -40.1 28 143 A N - 0 0 90 1,-0.4 20,-2.1 20,-0.1 21,-0.6 0.663 59.1 -3.9-119.1 -36.7 -1.9 11.9 -40.2 29 144 A R B -B 47 0A 87 18,-0.2 95,-3.4 19,-0.1 -1,-0.4 -0.996 45.4-162.5-157.8 158.8 -2.6 10.3 -36.9 30 145 A I E -C 123 0A 1 16,-1.9 2,-0.3 -2,-0.3 93,-0.3 -0.967 15.1-169.9-136.6 154.6 -4.1 10.6 -33.4 31 146 A A E -C 122 0A 0 91,-2.3 91,-2.9 -2,-0.3 2,-0.5 -0.971 18.1-170.1-156.3 134.8 -3.5 8.5 -30.4 32 147 A L E -CD 121 44A 1 12,-2.0 12,-2.6 -2,-0.3 2,-0.5 -0.990 16.5-168.8-118.5 124.4 -4.9 8.0 -26.9 33 148 A D E -CD 120 43A 27 87,-3.0 87,-3.1 -2,-0.5 2,-0.7 -0.881 10.0-163.8-123.2 101.4 -2.7 5.9 -24.6 34 149 A F E -CD 119 42A 0 8,-2.7 8,-1.3 -2,-0.5 7,-1.1 -0.735 28.2-156.7 -78.6 115.7 -4.1 4.6 -21.3 35 150 A Q E -CD 118 40A 47 83,-2.9 83,-1.2 -2,-0.7 82,-0.5 -0.786 30.9-176.0-109.5 147.1 -0.9 3.6 -19.5 36 151 A R E > S- D 0 39A 48 3,-2.2 3,-1.9 -2,-0.3 80,-0.2 -0.901 73.3 -60.8-131.8 94.4 -0.1 1.2 -16.7 37 152 A G T 3 S- 0 0 59 -2,-0.4 -1,-0.1 78,-0.3 0, 0.0 -0.449 119.1 -19.0 62.7-128.5 3.6 1.7 -15.9 38 153 A N T 3 S+ 0 0 135 -2,-0.2 -1,-0.3 -3,-0.1 26,-0.1 0.694 124.2 91.2 -81.9 -19.8 5.5 0.8 -19.1 39 154 A D E < S-D 36 0A 20 -3,-1.9 -3,-2.2 24,-0.1 2,-0.6 -0.339 70.9-140.2 -74.2 156.9 2.5 -1.1 -20.5 40 155 A V E -DE 35 61A 8 21,-2.3 21,-2.3 -5,-0.2 -5,-0.2 -0.917 14.8-171.6-119.5 98.5 -0.2 0.5 -22.6 41 156 A A E S+ 0 0 2 -7,-1.1 2,-0.4 -2,-0.6 68,-0.3 0.902 76.0 12.5 -56.8 -45.8 -3.5 -0.9 -21.5 42 157 A F E -D 34 0A 0 -8,-1.3 -8,-2.7 18,-0.1 2,-0.6 -0.934 64.3-170.3-144.8 116.3 -5.5 0.7 -24.3 43 158 A H E -DE 33 59A 15 16,-2.7 16,-1.5 -2,-0.4 2,-0.6 -0.931 3.6-171.2-106.7 116.6 -4.1 2.3 -27.4 44 159 A F E +DE 32 58A 0 -12,-2.6 -12,-2.0 -2,-0.6 14,-0.2 -0.934 13.9 173.8-111.2 106.6 -6.7 4.2 -29.5 45 160 A N E - E 0 57A 5 12,-2.9 12,-2.2 -2,-0.6 2,-0.2 -0.731 18.0-166.0-126.0 87.5 -5.0 5.1 -32.8 46 161 A P E - E 0 56A 0 0, 0.0 -16,-1.9 0, 0.0 2,-0.5 -0.503 12.6-161.9 -67.5 130.6 -6.9 6.8 -35.7 47 162 A R E -BE 29 55A 63 8,-3.2 8,-2.4 -2,-0.2 3,-0.3 -0.978 9.3-164.9-117.5 121.5 -4.8 6.6 -38.8 48 163 A F S S+ 0 0 17 -20,-2.1 2,-0.2 -2,-0.5 -19,-0.1 0.721 78.8 23.6 -79.3 -23.1 -5.8 9.0 -41.6 49 164 A N + 0 0 94 -21,-0.6 2,-0.7 6,-0.1 -1,-0.2 -0.628 59.7 151.7-149.7 89.1 -3.8 7.4 -44.5 50 165 A E S S- 0 0 53 3,-2.9 3,-0.5 -3,-0.3 -3,-0.0 -0.902 94.8 -28.6-116.2 98.0 -2.7 3.8 -44.4 51 166 A N S S- 0 0 145 -2,-0.7 -1,-0.1 1,-0.2 3,-0.1 0.912 123.7 -53.7 60.0 42.9 -2.5 2.7 -48.0 52 167 A N S S+ 0 0 147 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.756 119.2 110.0 62.8 27.7 -5.1 5.3 -48.9 53 168 A R - 0 0 151 -3,-0.5 -3,-2.9 2,-0.0 2,-0.4 -0.986 63.3-136.5-131.2 140.4 -7.5 3.9 -46.3 54 169 A R + 0 0 82 -2,-0.4 2,-0.3 -5,-0.2 -6,-0.2 -0.777 35.3 165.2 -93.3 142.4 -8.6 5.5 -43.0 55 170 A V E -E 47 0A 8 -8,-2.4 -8,-3.2 -2,-0.4 2,-0.7 -0.982 36.6-134.5-160.9 146.3 -8.6 3.2 -40.0 56 171 A I E -EF 46 72A 0 16,-2.9 16,-2.3 -2,-0.3 2,-0.5 -0.912 24.8-161.9-105.5 115.1 -8.8 3.2 -36.3 57 172 A V E -EF 45 71A 0 -12,-2.2 -12,-2.9 -2,-0.7 2,-0.4 -0.857 7.4-174.5-101.0 127.8 -6.3 0.8 -34.7 58 173 A C E +EF 44 70A 2 12,-2.1 12,-2.8 -2,-0.5 2,-0.3 -0.951 18.0 140.6-120.7 140.6 -6.7 -0.4 -31.1 59 174 A N E -E 43 0A 3 -16,-1.5 -16,-2.7 -2,-0.4 2,-0.4 -0.959 39.2-120.2-163.2 179.0 -4.2 -2.5 -29.2 60 175 A T E - 0 0 2 -2,-0.3 7,-2.3 -18,-0.2 2,-0.6 -0.989 15.8-148.3-134.0 139.7 -2.5 -3.2 -25.9 61 176 A K E +EG 40 66A 38 -21,-2.3 -21,-2.3 -2,-0.4 2,-0.4 -0.950 17.6 178.7-115.1 118.6 1.3 -3.2 -25.2 62 177 A L E > S- G 0 65A 71 3,-2.3 3,-1.3 -2,-0.6 -2,-0.0 -0.981 70.0 -10.4-120.4 123.0 2.5 -5.6 -22.6 63 178 A D T 3 S- 0 0 131 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.887 130.9 -52.9 55.5 46.2 6.3 -5.9 -21.7 64 179 A N T 3 S+ 0 0 118 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.637 117.1 113.4 65.0 17.8 7.2 -3.8 -24.7 65 180 A N E < -G 62 0A 118 -3,-1.3 -3,-2.3 0, 0.0 2,-0.2 -0.976 62.2-135.0-124.5 127.3 5.2 -6.0 -27.1 66 181 A W E -G 61 0A 122 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.521 25.3-149.1 -74.4 142.4 2.1 -4.9 -29.0 67 182 A G - 0 0 39 -7,-2.3 2,-0.4 1,-0.2 -1,-0.1 0.031 44.0 -38.6 -93.6-155.5 -0.6 -7.5 -29.0 68 183 A R - 0 0 200 1,-0.1 -1,-0.2 -9,-0.1 -8,-0.1 -0.550 65.5-127.8 -71.2 124.4 -3.3 -8.4 -31.5 69 184 A E - 0 0 72 -2,-0.4 2,-0.5 -10,-0.1 -10,-0.2 -0.400 11.7-152.1 -74.1 149.5 -4.7 -5.3 -33.2 70 185 A E E -F 58 0A 71 -12,-2.8 -12,-2.1 -2,-0.1 2,-0.4 -0.985 20.2-158.4-121.3 113.6 -8.5 -4.6 -33.3 71 186 A R E -F 57 0A 120 -2,-0.5 2,-0.4 -14,-0.2 -14,-0.2 -0.797 13.3-170.1-104.6 140.7 -9.3 -2.5 -36.3 72 187 A Q E -F 56 0A 51 -16,-2.3 -16,-2.9 -2,-0.4 32,-0.0 -0.990 9.0-169.7-127.3 123.5 -12.3 -0.3 -37.0 73 188 A S + 0 0 76 -2,-0.4 2,-0.4 -18,-0.2 -19,-0.1 0.661 61.3 101.7 -86.3 -19.2 -13.1 1.2 -40.4 74 189 A V - 0 0 86 29,-0.1 -18,-0.1 -18,-0.1 -2,-0.1 -0.577 54.8-178.5 -64.9 124.2 -15.8 3.6 -39.2 75 190 A F + 0 0 27 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.820 19.5 172.3-136.4 93.6 -13.9 6.8 -39.1 76 191 A P + 0 0 48 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.546 47.8 104.8 -77.7 -8.9 -15.7 10.0 -38.0 77 192 A F - 0 0 1 6,-0.0 2,-0.4 21,-0.0 6,-0.1 -0.457 46.7-171.0 -79.2 146.7 -12.7 12.3 -37.8 78 193 A E > - 0 0 90 3,-0.2 3,-2.2 -2,-0.1 -55,-0.4 -1.000 31.7-105.5-137.1 135.4 -11.9 15.0 -40.4 79 194 A S T 3 S+ 0 0 40 -2,-0.4 -55,-0.2 1,-0.3 46,-0.1 -0.332 108.0 12.6 -57.5 134.4 -8.8 17.2 -40.8 80 195 A G T 3 S+ 0 0 38 -57,-1.7 -1,-0.3 -56,-0.5 -56,-0.1 0.392 104.0 116.5 79.6 -3.7 -9.6 20.7 -39.6 81 196 A K < - 0 0 126 -3,-2.2 -58,-2.4 -57,-0.2 -3,-0.2 -0.776 67.4-114.0-104.7 144.3 -12.8 19.7 -37.9 82 197 A P E -I 22 0B 93 0, 0.0 2,-0.3 0, 0.0 -60,-0.3 -0.298 38.9-174.6 -67.0 155.9 -13.7 19.9 -34.2 83 198 A F E -I 21 0B 11 -62,-3.0 -62,-1.8 -6,-0.1 2,-0.4 -0.964 21.9-150.1-149.3 163.3 -14.3 16.5 -32.4 84 199 A K E -I 20 0B 50 -2,-0.3 15,-2.5 -64,-0.2 2,-0.5 -0.981 10.7-167.4-139.4 124.5 -15.3 15.0 -29.1 85 200 A I E -IJ 19 98B 1 -66,-2.6 -66,-2.9 -2,-0.4 2,-0.4 -0.959 4.5-170.3-114.4 129.6 -14.1 11.7 -27.9 86 201 A Q E -IJ 18 97B 44 11,-2.9 11,-2.4 -2,-0.5 2,-0.5 -0.981 3.5-169.2-120.8 129.4 -15.8 10.1 -24.9 87 202 A V E -IJ 17 96B 0 -70,-2.7 -70,-3.1 -2,-0.4 2,-0.5 -0.967 4.2-168.0-121.8 114.1 -14.4 7.0 -23.2 88 203 A L E -IJ 16 95B 37 7,-2.9 7,-3.0 -2,-0.5 2,-0.5 -0.891 16.2-138.2-102.4 127.1 -16.7 5.3 -20.7 89 204 A V E + J 0 94B 0 -74,-3.1 -75,-2.4 -2,-0.5 -74,-0.3 -0.757 24.1 178.9 -90.9 125.5 -15.1 2.7 -18.5 90 205 A E - 0 0 60 3,-2.5 3,-0.1 -2,-0.5 0, 0.0 -0.797 43.9-106.0-116.6 160.4 -17.1 -0.5 -17.9 91 206 A P S S+ 0 0 92 0, 0.0 22,-0.1 0, 0.0 3,-0.1 0.741 119.6 28.8 -60.2 -20.6 -15.9 -3.5 -15.8 92 207 A D S S+ 0 0 93 1,-0.2 16,-2.0 15,-0.1 2,-0.3 0.579 126.9 4.4-116.9 -13.9 -15.3 -5.4 -19.0 93 208 A H E - K 0 107B 8 14,-0.3 -3,-2.5 -3,-0.1 2,-0.5 -0.983 64.5-105.5-162.3 170.4 -14.4 -2.9 -21.6 94 209 A F E -JK 89 106B 2 12,-2.4 12,-2.6 -2,-0.3 2,-0.6 -0.902 35.1-150.5-101.1 130.8 -13.7 0.7 -22.6 95 210 A K E -JK 88 105B 54 -7,-3.0 -7,-2.9 -2,-0.5 2,-0.5 -0.935 12.4-162.1-109.1 118.7 -16.7 2.1 -24.5 96 211 A V E +JK 87 104B 0 8,-2.9 7,-2.8 -2,-0.6 8,-2.0 -0.869 12.9 175.2-109.6 130.1 -15.7 4.8 -27.1 97 212 A A E -JK 86 102B 18 -11,-2.4 -11,-2.9 -2,-0.5 2,-0.4 -0.971 11.5-159.9-126.9 141.8 -18.1 7.4 -28.7 98 213 A V E > S-JK 85 101B 3 3,-2.3 3,-2.0 -2,-0.4 -13,-0.2 -0.986 76.9 -4.3-124.7 134.0 -17.1 10.2 -31.0 99 214 A N T 3 S- 0 0 75 -15,-2.5 -1,-0.2 -2,-0.4 -14,-0.1 0.881 130.9 -57.9 51.9 42.0 -19.3 13.2 -31.6 100 215 A D T 3 S+ 0 0 113 -16,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.540 115.5 111.9 68.6 10.4 -22.0 11.6 -29.5 101 216 A A E < S-K 98 0B 57 -3,-2.0 -3,-2.3 0, 0.0 -1,-0.2 -0.951 76.1-108.9-116.9 132.3 -22.2 8.5 -31.6 102 217 A H E +K 97 0B 108 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.290 41.6 169.9 -55.9 138.6 -21.1 5.1 -30.4 103 218 A L E - 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