==== 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 SUGAR BINDING PROTEIN 05-DEC-01 1KJR . COMPND 2 MOLECULE: GALECTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.SORME,P.ARNOUX,B.KAHL-KNUTSSON,H.LEFFLER,J.M.RINI,U.J.NILS . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 79.0 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 . 73 52.9 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 . 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 . 25 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.2 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 1 1 1 2 2 2 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 0 1 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 1 113 A P 0 0 160 0, 0.0 2,-0.3 0, 0.0 130,-0.2 0.000 360.0 360.0 360.0 156.3 23.1 -5.0 -9.3 2 114 A L B -A 130 0A 53 128,-2.6 128,-0.6 4,-0.0 2,-0.5 -0.774 360.0-106.4-108.6 152.5 21.5 -4.0 -6.0 3 115 A I - 0 0 141 -2,-0.3 126,-0.1 126,-0.1 0, 0.0 -0.691 44.7-112.1 -82.8 131.3 20.6 -6.3 -3.1 4 116 A V S S+ 0 0 39 -2,-0.5 121,-0.1 124,-0.1 2,-0.1 -0.870 102.1 50.8-105.3 135.7 16.9 -7.0 -2.8 5 117 A P S S- 0 0 91 0, 0.0 2,-0.4 0, 0.0 120,-0.2 0.479 88.6-177.7 -69.3 144.6 15.1 -6.0 -0.6 6 118 A Y E -F 124 0B 67 118,-2.5 118,-2.5 -2,-0.1 2,-0.6 -0.923 20.3-149.5-120.7 139.3 16.6 -2.6 -1.2 7 119 A N E -F 123 0B 102 -2,-0.4 116,-0.2 116,-0.2 114,-0.0 -0.949 8.7-168.9-113.2 119.7 15.8 0.6 0.7 8 120 A L E -F 122 0B 14 114,-3.0 114,-2.2 -2,-0.6 2,-0.1 -0.921 19.7-137.2-105.8 110.7 16.0 3.8 -1.2 9 121 A P E -F 121 0B 80 0, 0.0 112,-0.3 0, 0.0 111,-0.1 -0.433 8.2-156.5 -65.1 144.6 15.9 6.9 1.1 10 122 A L > - 0 0 0 110,-3.8 3,-2.5 -2,-0.1 2,-0.1 -0.851 22.4-138.4-120.8 89.8 13.7 9.7 -0.2 11 123 A P T 3 S+ 0 0 94 0, 0.0 110,-0.1 0, 0.0 108,-0.1 -0.265 82.4 0.4 -59.1 122.7 15.2 12.7 1.6 12 124 A G T 3 S- 0 0 61 -2,-0.1 107,-0.1 108,-0.1 108,-0.1 0.689 118.5 -94.8 75.2 16.4 12.5 15.1 2.9 13 125 A G < - 0 0 5 -3,-2.5 104,-0.3 105,-0.2 2,-0.2 -0.208 62.3 -45.1 72.5-165.0 9.8 12.7 1.5 14 126 A V - 0 0 3 102,-2.4 105,-0.2 101,-0.1 104,-0.1 -0.558 48.7-176.6-103.2 167.0 8.2 13.1 -1.9 15 127 A V > - 0 0 71 -2,-0.2 3,-1.8 102,-0.1 77,-0.3 -0.977 42.3 -76.5-157.3 152.0 6.7 16.1 -3.6 16 128 A P T 3 S+ 0 0 45 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.330 117.8 32.7 -59.2 146.1 4.9 16.7 -6.9 17 129 A R T 3 S+ 0 0 152 75,-2.5 121,-2.7 1,-0.3 2,-0.5 0.331 85.6 128.3 87.6 -0.9 7.2 16.5 -9.9 18 130 A M E < -B 137 0A 11 -3,-1.8 74,-2.8 74,-0.3 2,-0.5 -0.742 43.3-161.2 -85.4 126.7 9.4 14.0 -8.3 19 131 A L E -BC 136 91A 25 117,-3.3 117,-1.9 -2,-0.5 2,-0.5 -0.934 4.6-164.6-113.6 122.8 10.0 11.0 -10.6 20 132 A I E -BC 135 90A 0 70,-2.9 70,-3.1 -2,-0.5 2,-0.5 -0.907 7.9-166.8-107.1 130.5 11.2 7.7 -9.1 21 133 A T E -BC 134 89A 25 113,-2.7 113,-2.2 -2,-0.5 2,-0.5 -0.970 6.5-171.8-124.1 128.6 12.6 5.1 -11.7 22 134 A I E -BC 133 88A 1 66,-3.0 66,-2.6 -2,-0.5 2,-0.4 -0.973 3.8-170.6-122.8 121.5 13.3 1.5 -10.9 23 135 A L E +BC 132 87A 64 109,-2.8 108,-2.5 -2,-0.5 109,-2.0 -0.901 26.8 124.0-111.3 131.7 15.1 -0.7 -13.5 24 136 A G E -BC 130 86A 3 62,-1.9 62,-3.2 -2,-0.4 2,-0.4 -0.952 51.2-107.6-165.3-175.5 15.3 -4.4 -13.1 25 137 A T E -BC 129 85A 42 104,-2.4 104,-2.9 -2,-0.3 2,-0.2 -0.997 32.0-120.8-129.9 133.0 14.7 -7.8 -14.6 26 138 A V E -B 128 0A 2 58,-2.5 57,-0.6 -2,-0.4 102,-0.3 -0.538 32.2-117.6 -73.2 141.2 12.0 -10.2 -13.4 27 139 A K > - 0 0 79 100,-2.7 3,-1.0 -2,-0.2 56,-0.7 -0.263 36.9 -91.5 -71.9 161.3 13.2 -13.5 -12.3 28 140 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 55,-0.0 -0.460 112.4 13.8 -69.8 149.8 12.1 -16.6 -14.1 29 141 A N T 3 S- 0 0 158 1,-0.1 -2,-0.1 -3,-0.1 22,-0.0 0.873 92.5-173.3 54.6 38.2 8.9 -18.2 -12.6 30 142 A A < - 0 0 11 -3,-1.0 -1,-0.1 1,-0.1 52,-0.1 -0.235 23.0-174.1 -62.4 149.7 8.3 -15.0 -10.5 31 143 A N - 0 0 79 1,-0.4 20,-2.7 20,-0.1 21,-0.6 0.706 62.4 -9.3-111.5 -44.3 5.5 -14.9 -7.9 32 144 A R B -G 50 0B 148 18,-0.2 95,-3.1 19,-0.1 -1,-0.4 -0.997 43.9-161.6-155.4 159.3 5.5 -11.3 -6.8 33 145 A I E -H 126 0B 2 16,-2.0 2,-0.4 -2,-0.3 93,-0.3 -0.973 17.5-165.2-133.5 146.4 7.2 -7.9 -6.8 34 146 A A E -H 125 0B 10 91,-2.7 91,-2.6 -2,-0.3 2,-0.5 -0.985 16.4-172.4-139.9 134.9 6.5 -5.0 -4.3 35 147 A L E -HI 124 47B 1 12,-2.2 12,-2.6 -2,-0.4 2,-0.5 -0.974 15.2-171.2-112.8 129.6 7.3 -1.3 -4.1 36 148 A D E -HI 123 46B 25 87,-2.7 87,-2.8 -2,-0.5 2,-0.8 -0.908 11.2-162.0-126.5 108.4 6.5 0.1 -0.7 37 149 A F E -HI 122 45B 0 8,-3.0 7,-2.1 -2,-0.5 8,-1.5 -0.810 28.6-158.5 -86.0 114.9 6.6 4.0 -0.3 38 150 A Q E -HI 121 43B 46 83,-3.0 83,-1.2 -2,-0.8 2,-0.6 -0.771 33.7-167.0-109.7 144.3 6.8 4.3 3.4 39 151 A R E > S- I 0 42B 69 3,-2.1 3,-2.3 -2,-0.3 80,-0.2 -0.925 79.4 -59.3-116.0 95.7 6.0 7.0 6.0 40 152 A G T 3 S- 0 0 62 -2,-0.6 81,-0.1 78,-0.4 -1,-0.0 -0.448 120.1 -18.1 60.6-133.0 7.7 5.5 9.0 41 153 A N T 3 S+ 0 0 109 -2,-0.1 -1,-0.3 -3,-0.1 26,-0.1 0.631 123.0 94.0 -79.8 -13.9 6.0 2.1 9.6 42 154 A D E < S-I 39 0B 19 -3,-2.3 -3,-2.1 24,-0.1 2,-0.6 -0.462 71.1-140.0 -78.0 152.6 3.1 3.2 7.5 43 155 A V E -IJ 38 64B 2 21,-2.2 21,-2.4 -5,-0.2 -5,-0.3 -0.947 15.8-174.6-110.6 108.8 3.0 2.3 3.8 44 156 A A E S+ 0 0 2 -7,-2.1 68,-0.4 -2,-0.6 2,-0.3 0.858 78.2 11.9 -68.4 -39.1 1.6 5.2 1.9 45 157 A F E -I 37 0B 0 -8,-1.5 -8,-3.0 67,-0.1 2,-0.5 -0.890 65.2-173.0-148.5 115.1 1.6 3.4 -1.5 46 158 A H E -IJ 36 62B 24 16,-2.7 16,-1.7 -2,-0.3 2,-0.5 -0.940 6.1-170.0-109.3 124.1 2.1 -0.4 -1.8 47 159 A F E +IJ 35 61B 0 -12,-2.6 -12,-2.2 -2,-0.5 14,-0.2 -0.977 10.7 178.0-121.7 113.7 2.4 -1.5 -5.5 48 160 A N E - J 0 60B 6 12,-2.3 12,-2.0 -2,-0.5 2,-0.3 -0.746 18.4-163.6-131.6 86.6 2.3 -5.2 -5.8 49 161 A P E - J 0 59B 0 0, 0.0 -16,-2.0 0, 0.0 2,-0.5 -0.516 14.8-163.0 -64.4 129.4 2.4 -7.2 -9.1 50 162 A R E -GJ 32 58B 56 8,-3.3 8,-2.2 -2,-0.3 3,-0.3 -0.972 11.2-167.0-117.3 121.8 1.2 -10.7 -8.3 51 163 A F E S+ 0 0 18 -20,-2.7 -19,-0.1 -2,-0.5 -1,-0.1 0.615 81.4 24.6 -85.8 -13.9 2.0 -13.3 -11.0 52 164 A N E + 0 0 87 -21,-0.6 2,-0.7 6,-0.1 -1,-0.2 -0.495 61.4 150.0-154.8 83.4 -0.3 -16.0 -9.7 53 165 A E E > S- J 0 56B 48 3,-3.0 3,-1.2 -3,-0.3 -3,-0.1 -0.952 97.7 -24.7-111.3 107.7 -3.3 -15.1 -7.6 54 166 A N T 3 S- 0 0 137 -2,-0.7 -1,-0.2 1,-0.2 3,-0.1 0.873 125.4 -56.0 51.5 40.6 -5.8 -17.9 -8.4 55 167 A N T 3 S+ 0 0 145 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.702 119.1 104.6 65.0 26.2 -4.0 -18.4 -11.7 56 168 A R E < -J 53 0B 191 -3,-1.2 -3,-3.0 2,-0.0 2,-0.5 -0.925 68.0-128.7-130.5 152.6 -4.4 -14.8 -12.8 57 169 A R E + 0 0 88 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.885 39.2 160.4-103.1 131.3 -1.9 -12.0 -12.8 58 170 A V E -J 50 0B 8 -8,-2.2 -8,-3.3 -2,-0.5 2,-0.6 -0.990 37.4-130.4-149.8 153.0 -3.0 -8.8 -11.1 59 171 A I E -JK 49 75B 0 16,-2.5 16,-2.2 -2,-0.3 2,-0.5 -0.953 24.2-163.1-110.0 126.0 -1.5 -5.7 -9.6 60 172 A V E -JK 48 74B 1 -12,-2.0 -12,-2.3 -2,-0.6 2,-0.4 -0.933 6.0-173.1-110.4 127.3 -2.7 -4.9 -6.2 61 173 A C E +JK 47 73B 3 12,-2.8 12,-2.4 -2,-0.5 2,-0.3 -0.908 17.7 141.3-117.3 147.5 -2.2 -1.4 -4.7 62 174 A N E -J 46 0B 2 -16,-1.7 -16,-2.7 -2,-0.4 2,-0.3 -0.963 40.0-117.0-166.5 178.3 -3.0 -0.3 -1.1 63 175 A T E - 0 0 3 -2,-0.3 7,-2.2 -18,-0.2 2,-0.5 -0.966 17.1-149.7-129.1 142.3 -2.0 1.7 1.9 64 176 A K E -JL 43 69B 42 -21,-2.4 -21,-2.2 -2,-0.3 2,-0.4 -0.980 16.4-179.3-117.9 121.4 -1.1 0.4 5.4 65 177 A L E > S- L 0 68B 80 3,-2.2 3,-2.1 -2,-0.5 -23,-0.1 -0.988 72.4 -12.4-123.9 122.8 -1.9 2.6 8.4 66 178 A D T 3 S- 0 0 133 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.895 131.1 -53.9 52.3 42.3 -1.1 1.5 12.0 67 179 A N T 3 S+ 0 0 112 1,-0.2 2,-0.5 -26,-0.1 -1,-0.3 0.443 114.8 116.7 73.9 6.4 -0.4 -2.0 10.7 68 180 A N E < -L 65 0B 114 -3,-2.1 -3,-2.2 0, 0.0 -1,-0.2 -0.892 60.2-134.8-109.3 125.5 -3.8 -2.3 9.0 69 181 A W E -L 64 0B 119 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.494 22.5-151.0 -73.1 145.0 -4.2 -2.7 5.2 70 182 A G - 0 0 40 -7,-2.2 2,-0.4 1,-0.2 -1,-0.1 0.085 45.4 -38.9 -93.0-153.0 -7.0 -0.5 3.6 71 183 A R - 0 0 164 1,-0.1 -1,-0.2 -9,-0.0 2,-0.1 -0.601 64.8-124.5 -76.1 129.9 -9.2 -1.1 0.6 72 184 A E - 0 0 78 -2,-0.4 2,-0.5 -10,-0.1 -10,-0.2 -0.465 13.5-153.5 -77.4 145.2 -7.3 -2.7 -2.3 73 185 A E E -K 61 0B 54 -12,-2.4 -12,-2.8 -2,-0.1 2,-0.4 -0.991 20.0-159.8-114.5 122.2 -7.2 -1.1 -5.7 74 186 A R E -K 60 0B 117 -2,-0.5 2,-0.4 -14,-0.2 -14,-0.2 -0.838 15.5-171.8-113.9 142.5 -6.7 -3.7 -8.4 75 187 A Q E -K 59 0B 54 -16,-2.2 -16,-2.5 -2,-0.4 -2,-0.0 -0.983 7.5-170.7-132.5 116.0 -5.5 -3.4 -12.0 76 188 A S + 0 0 94 -2,-0.4 2,-0.4 -18,-0.2 -19,-0.1 0.624 61.5 102.3 -82.8 -13.5 -5.6 -6.4 -14.3 77 189 A V - 0 0 89 29,-0.1 -18,-0.1 -18,-0.1 -2,-0.1 -0.606 58.5-172.9 -67.5 128.4 -3.6 -4.8 -17.0 78 190 A F + 0 0 24 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.828 21.2 173.9-137.4 95.0 -0.2 -6.6 -16.3 79 191 A P + 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.556 50.7 96.6 -78.6 -10.0 2.9 -5.4 -18.2 80 192 A F - 0 0 3 6,-0.0 2,-0.4 21,-0.0 6,-0.0 -0.497 49.4-171.0 -83.2 151.8 5.5 -7.6 -16.4 81 193 A E > - 0 0 77 3,-0.2 3,-2.1 -2,-0.2 -55,-0.3 -0.995 33.0-101.5-143.1 132.1 6.7 -10.9 -17.7 82 194 A S T 3 S+ 0 0 46 -2,-0.4 -55,-0.2 1,-0.3 -56,-0.0 -0.271 106.9 15.2 -51.5 136.6 8.9 -13.4 -15.9 83 195 A G T 3 S+ 0 0 42 -56,-0.7 -1,-0.3 -57,-0.6 -56,-0.1 0.315 102.2 112.8 82.4 -3.9 12.5 -13.2 -17.1 84 196 A K < - 0 0 126 -3,-2.1 -58,-2.5 -57,-0.2 -3,-0.2 -0.748 67.7-112.0-111.5 147.4 12.2 -9.8 -18.8 85 197 A P E -C 25 0A 96 0, 0.0 2,-0.3 0, 0.0 -60,-0.3 -0.496 38.8-174.6 -71.4 143.8 13.7 -6.4 -18.1 86 198 A F E -C 24 0A 10 -62,-3.2 -62,-1.9 -2,-0.2 2,-0.4 -0.891 22.7-149.6-135.6 162.8 11.4 -3.7 -16.9 87 199 A K E -C 23 0A 51 -2,-0.3 15,-2.4 -64,-0.2 2,-0.5 -0.989 12.1-168.3-131.6 122.3 11.3 -0.0 -16.1 88 200 A I E -CD 22 101A 1 -66,-2.6 -66,-3.0 -2,-0.4 2,-0.5 -0.970 4.2-169.9-111.0 127.6 8.8 1.3 -13.5 89 201 A Q E -CD 21 100A 42 11,-3.1 11,-2.4 -2,-0.5 2,-0.6 -0.975 2.5-168.9-117.2 121.5 8.4 5.1 -13.3 90 202 A V E -CD 20 99A 0 -70,-3.1 -70,-2.9 -2,-0.5 2,-0.5 -0.963 5.3-168.1-112.3 114.2 6.5 6.5 -10.4 91 203 A L E -CD 19 98A 17 7,-3.1 7,-2.9 -2,-0.6 2,-0.6 -0.883 17.1-137.5-103.4 122.6 5.7 10.2 -10.9 92 204 A V E - 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