==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-JUN-11 3ZSK . COMPND 2 MOLECULE: GALECTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.SARABOJI,M.HAKANSSON,C.DIEHL,U.J.NILSSON,H.LEFFLER,M.AKKE, . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 76.1 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 . 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 . 20 14.5 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 M 0 0 169 0, 0.0 2,-0.3 0, 0.0 130,-0.2 0.000 360.0 360.0 360.0 108.2 5.3 4.0 9.7 2 114 A L B -A 130 0A 43 128,-3.1 128,-0.6 130,-0.1 2,-0.4 -0.866 360.0-114.0-125.1 152.3 3.6 3.8 6.4 3 115 A I - 0 0 138 -2,-0.3 126,-0.1 2,-0.1 128,-0.0 -0.734 44.9-107.0 -85.0 133.6 2.7 6.2 3.5 4 116 A V S S+ 0 0 42 -2,-0.4 121,-0.1 124,-0.2 2,-0.1 -0.897 102.6 50.1-104.5 137.7 -1.0 6.8 2.9 5 117 A P S S- 0 0 108 0, 0.0 2,-0.4 0, 0.0 120,-0.2 0.368 87.6-175.0 -68.1 142.2 -2.7 5.8 0.7 6 118 A Y E -F 124 0B 68 118,-2.7 118,-2.7 -2,-0.1 2,-0.6 -0.946 18.6-149.1-115.8 137.6 -1.3 2.4 1.5 7 119 A N E -F 123 0B 64 -2,-0.4 116,-0.2 116,-0.2 114,-0.0 -0.919 8.6-170.4-109.2 120.4 -2.0 -0.8 -0.4 8 120 A L E -F 122 0B 13 114,-2.9 114,-2.2 -2,-0.6 2,-0.1 -0.938 20.1-138.7-104.9 106.9 -1.9 -4.1 1.5 9 121 A P E -F 121 0B 69 0, 0.0 112,-0.3 0, 0.0 111,-0.1 -0.461 7.8-157.1 -63.7 143.3 -2.0 -7.1 -0.9 10 122 A L > - 0 0 0 110,-2.8 3,-2.3 -2,-0.1 2,-0.1 -0.883 21.3-138.9-119.5 89.6 -4.2 -9.9 0.3 11 123 A P T 3 S- 0 0 90 0, 0.0 110,-0.1 0, 0.0 108,-0.1 -0.306 82.8 -0.1 -64.6 124.7 -2.8 -12.9 -1.5 12 124 A G T 3 S- 0 0 59 -2,-0.1 107,-0.2 108,-0.1 108,-0.1 0.725 119.1 -94.3 71.9 19.0 -5.4 -15.2 -2.9 13 125 A G < - 0 0 5 -3,-2.3 104,-0.3 105,-0.2 2,-0.2 -0.203 61.4 -44.2 72.7-166.0 -8.1 -12.8 -1.4 14 126 A V - 0 0 4 102,-2.4 105,-0.2 101,-0.1 104,-0.1 -0.587 49.8-179.2-102.0 168.7 -9.8 -13.1 1.9 15 127 A V > - 0 0 68 -2,-0.2 3,-2.0 102,-0.1 77,-0.3 -0.972 43.2 -74.3-160.6 148.3 -11.3 -16.1 3.6 16 128 A P T 3 S+ 0 0 44 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.279 118.5 32.8 -53.6 142.3 -13.1 -16.8 6.9 17 129 A R T 3 S+ 0 0 140 75,-2.6 121,-2.7 1,-0.3 2,-0.5 0.241 84.6 129.4 87.5 -0.5 -10.7 -16.6 9.9 18 130 A M E < -B 137 0A 11 -3,-2.0 74,-2.9 74,-0.2 2,-0.5 -0.709 42.0-162.3 -79.8 125.8 -8.5 -14.0 8.2 19 131 A L E -BC 136 91A 26 117,-3.3 117,-2.1 -2,-0.5 2,-0.5 -0.956 4.1-163.5-111.9 122.8 -7.9 -11.1 10.6 20 132 A I E -BC 135 90A 0 70,-3.0 70,-2.8 -2,-0.5 2,-0.5 -0.888 6.7-164.8-107.5 130.4 -6.7 -7.8 9.3 21 133 A T E -BC 134 89A 26 113,-2.8 113,-2.1 -2,-0.5 2,-0.4 -0.966 5.7-172.9-122.1 128.1 -5.2 -5.3 11.8 22 134 A I E -BC 133 88A 1 66,-3.0 66,-2.8 -2,-0.5 2,-0.4 -0.970 3.0-172.4-121.0 125.0 -4.7 -1.6 11.1 23 135 A L E +BC 132 87A 65 109,-2.6 108,-2.4 -2,-0.4 109,-1.9 -0.979 26.7 119.0-118.1 131.3 -2.8 0.6 13.6 24 136 A G E -BC 130 86A 3 62,-1.9 62,-3.0 -2,-0.4 2,-0.4 -0.931 52.6-104.4-168.7-173.1 -2.6 4.3 13.2 25 137 A T E -BC 129 85A 42 104,-2.4 104,-2.8 -2,-0.3 2,-0.3 -0.999 31.6-120.8-128.5 132.4 -3.4 7.7 14.7 26 138 A V E -B 128 0A 2 58,-2.4 57,-0.8 -2,-0.4 102,-0.3 -0.586 33.2-119.8 -71.4 134.2 -6.1 10.1 13.5 27 139 A K > - 0 0 85 100,-2.6 3,-1.3 -2,-0.3 56,-0.6 -0.262 35.3 -92.6 -66.6 160.3 -4.7 13.4 12.4 28 140 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 54,-0.0 -0.451 114.1 15.1 -66.9 147.4 -6.0 16.5 14.2 29 141 A N T 3 S+ 0 0 158 1,-0.1 -2,-0.1 -3,-0.1 22,-0.0 0.816 91.1 179.6 59.6 25.6 -8.9 18.0 12.4 30 142 A A < - 0 0 10 -3,-1.3 -1,-0.1 1,-0.1 52,-0.1 -0.299 20.4-171.2 -54.3 148.5 -9.4 14.8 10.3 31 143 A N - 0 0 83 1,-0.4 20,-2.5 20,-0.1 21,-0.6 0.738 61.5 -5.6-107.4 -39.0 -12.2 14.7 7.8 32 144 A R B -G 50 0B 84 18,-0.2 95,-3.2 19,-0.1 -1,-0.4 -0.995 43.9-160.9-156.2 159.7 -12.3 11.1 6.8 33 145 A I E -H 126 0B 0 16,-2.0 2,-0.4 -2,-0.3 93,-0.3 -0.969 18.8-167.5-133.4 150.4 -10.7 7.6 6.9 34 146 A A E -H 125 0B 0 91,-2.6 91,-2.7 -2,-0.3 2,-0.5 -0.981 17.3-170.5-145.0 136.8 -11.3 4.8 4.4 35 147 A L E -HI 124 47B 1 12,-2.4 12,-2.6 -2,-0.4 2,-0.5 -0.983 15.1-170.1-111.6 129.4 -10.6 1.2 4.1 36 148 A D E -HI 123 46B 23 87,-2.6 87,-2.8 -2,-0.5 2,-0.7 -0.919 10.1-163.3-125.4 103.2 -11.3 -0.2 0.7 37 149 A F E -HI 122 45B 0 8,-2.9 7,-1.8 -2,-0.5 8,-1.4 -0.807 28.7-156.7 -82.6 112.9 -11.3 -4.1 0.3 38 150 A Q E -HI 121 43B 51 83,-2.8 83,-1.2 -2,-0.7 82,-0.6 -0.764 34.0-169.4-108.4 141.7 -11.0 -4.3 -3.5 39 151 A R E > S- I 0 42B 69 3,-2.4 3,-2.3 -2,-0.3 80,-0.2 -0.917 78.8 -62.2-115.7 92.8 -11.9 -7.0 -6.1 40 152 A G T 3 S- 0 0 70 -2,-0.5 -1,-0.1 78,-0.4 81,-0.0 -0.427 119.8 -16.4 57.8-131.7 -10.1 -5.4 -9.1 41 153 A N T 3 S+ 0 0 107 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.608 123.4 93.7 -75.6 -15.7 -11.9 -2.1 -9.6 42 154 A D E < S-I 39 0B 19 -3,-2.3 -3,-2.4 24,-0.1 2,-0.7 -0.528 70.7-140.3 -76.6 153.1 -14.8 -3.2 -7.5 43 155 A V E -IJ 38 64B 8 21,-2.1 21,-2.0 -5,-0.2 -5,-0.3 -0.924 16.1-175.7-111.8 103.9 -14.9 -2.3 -3.8 44 156 A A E S+ 0 0 3 -7,-1.8 68,-0.4 -2,-0.7 2,-0.4 0.892 78.0 12.4 -65.4 -40.8 -16.3 -5.3 -1.9 45 157 A F E -I 37 0B 0 -8,-1.4 -8,-2.9 67,-0.1 2,-0.5 -0.908 64.6-174.1-146.8 115.4 -16.2 -3.5 1.5 46 158 A H E -IJ 36 62B 14 16,-2.7 16,-1.6 -2,-0.4 2,-0.5 -0.952 4.7-171.1-106.1 123.5 -15.8 0.3 1.9 47 159 A F E +IJ 35 61B 0 -12,-2.6 -12,-2.4 -2,-0.5 14,-0.2 -0.981 12.3 177.3-121.0 113.7 -15.5 1.3 5.6 48 160 A N E - J 0 60B 2 12,-2.6 12,-2.3 -2,-0.5 2,-0.3 -0.758 18.4-162.5-135.1 86.7 -15.6 5.1 5.8 49 161 A P E - J 0 59B 0 0, 0.0 -16,-2.0 0, 0.0 2,-0.5 -0.518 13.1-162.3 -60.4 125.4 -15.5 7.1 9.0 50 162 A R E -GJ 32 58B 64 8,-3.1 8,-2.1 -2,-0.3 3,-0.4 -0.979 10.1-168.6-116.9 119.0 -16.7 10.6 8.3 51 163 A F E S+ 0 0 19 -20,-2.5 -19,-0.1 -2,-0.5 -1,-0.1 0.610 81.3 23.3 -85.0 -14.0 -15.8 13.2 11.0 52 164 A N E + 0 0 85 -21,-0.6 2,-0.8 6,-0.1 -1,-0.2 -0.462 62.1 153.3-156.4 73.3 -18.0 16.0 9.7 53 165 A E E > S- J 0 56B 49 3,-3.0 3,-1.3 -3,-0.4 -3,-0.1 -0.919 97.3 -27.4-101.9 103.5 -20.9 15.1 7.6 54 166 A N T 3 S- 0 0 140 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.902 125.6 -53.2 47.0 46.8 -23.3 18.0 8.2 55 167 A N T 3 S+ 0 0 140 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.673 119.5 108.6 65.5 26.0 -21.6 18.4 11.6 56 168 A R E < -J 53 0B 188 -3,-1.3 -3,-3.0 2,-0.0 2,-0.5 -0.888 65.3-131.1-123.6 156.0 -22.2 14.8 12.6 57 169 A R E + 0 0 95 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.929 39.6 157.2-105.0 126.9 -19.7 11.9 12.8 58 170 A V E -J 50 0B 16 -8,-2.1 -8,-3.1 -2,-0.5 2,-0.5 -0.989 38.5-131.0-148.5 150.5 -20.8 8.7 11.1 59 171 A I E -JK 49 75B 1 16,-1.0 16,-0.9 -2,-0.3 2,-0.5 -0.941 23.3-161.0-104.0 126.9 -19.3 5.6 9.6 60 172 A V E -JK 48 74B 1 -12,-2.3 -12,-2.6 -2,-0.5 2,-0.4 -0.927 6.9-172.6-105.5 129.7 -20.5 4.8 6.1 61 173 A C E +JK 47 73B 3 12,-2.6 12,-2.8 -2,-0.5 2,-0.3 -0.944 19.2 139.6-120.8 144.2 -20.1 1.3 4.7 62 174 A N E -J 46 0B 3 -16,-1.6 -16,-2.7 -2,-0.4 2,-0.3 -0.958 40.8-117.7-164.7 178.1 -20.8 0.3 1.1 63 175 A T E - 0 0 3 -2,-0.3 7,-2.3 -18,-0.2 2,-0.5 -0.972 17.0-149.4-131.5 140.6 -19.9 -1.7 -2.0 64 176 A K E +JL 43 69B 47 -21,-2.0 -21,-2.1 -2,-0.3 2,-0.4 -0.975 17.3 179.7-114.2 124.0 -18.9 -0.4 -5.4 65 177 A L E > S- L 0 68B 82 3,-2.5 3,-1.8 -2,-0.5 -23,-0.1 -0.992 71.3 -10.5-126.6 126.0 -19.7 -2.5 -8.5 66 178 A D T 3 S- 0 0 135 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.867 131.5 -53.9 50.1 40.2 -18.9 -1.5 -12.0 67 179 A N T 3 S+ 0 0 97 1,-0.2 2,-0.5 -26,-0.2 -1,-0.3 0.611 115.4 115.0 73.9 16.2 -18.1 2.0 -10.7 68 180 A N E < -L 65 0B 111 -3,-1.8 -3,-2.5 0, 0.0 2,-0.2 -0.951 60.8-134.3-120.5 127.3 -21.4 2.4 -9.0 69 181 A W E -L 64 0B 114 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.502 23.3-148.8 -70.6 142.1 -21.9 2.7 -5.2 70 182 A G - 0 0 41 -7,-2.3 2,-0.5 -2,-0.2 -1,-0.1 0.137 44.4 -42.6 -87.5-157.1 -24.7 0.6 -3.7 71 183 A R - 0 0 221 1,-0.1 -1,-0.2 -9,-0.0 -8,-0.1 -0.663 64.9-126.2 -82.4 123.0 -27.0 1.2 -0.8 72 184 A E - 0 0 80 -2,-0.5 2,-0.5 -10,-0.1 -10,-0.2 -0.361 11.0-149.0 -66.4 145.2 -25.0 2.6 2.2 73 185 A E E +K 61 0B 71 -12,-2.8 -12,-2.6 -2,-0.1 2,-0.4 -0.979 24.6 176.7-112.5 125.3 -25.1 1.0 5.6 74 186 A R E +K 60 0B 107 -2,-0.5 2,-0.3 -14,-0.2 -14,-0.2 -0.980 10.7 176.9-128.6 141.8 -24.7 3.6 8.4 75 187 A Q E -K 59 0B 56 -16,-0.9 -16,-1.0 -2,-0.4 32,-0.0 -0.865 32.0-122.7-136.7 178.8 -24.8 3.3 12.1 76 188 A S S S+ 0 0 103 -2,-0.3 2,-0.2 -18,-0.1 -19,-0.1 0.711 72.2 104.8 -98.9 -23.9 -24.3 5.8 14.8 77 189 A V + 0 0 84 29,-0.1 -18,-0.2 -18,-0.1 -2,-0.2 -0.473 42.7 179.0 -72.0 128.9 -21.4 4.5 16.9 78 190 A F + 0 0 21 -2,-0.2 -1,-0.1 1,-0.1 -21,-0.0 -0.862 11.0 173.6-137.6 92.1 -18.2 6.4 16.2 79 191 A P + 0 0 43 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.612 48.9 98.2 -84.4 -7.9 -15.2 5.3 18.2 80 192 A F - 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