==== 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 3ZSL . 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) . 7469.0 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 0 190 0, 0.0 2,-0.3 0, 0.0 130,-0.2 0.000 360.0 360.0 360.0 -76.6 5.9 4.2 9.8 2 114 A L B -A 130 0A 52 128,-2.9 128,-0.6 4,-0.0 2,-0.4 -0.749 360.0-126.2-107.2 148.6 3.7 3.7 6.7 3 115 A I - 0 0 138 -2,-0.3 126,-0.1 126,-0.1 128,-0.0 -0.701 38.6-106.6 -84.6 133.9 2.8 6.1 3.9 4 116 A V S S+ 0 0 38 -2,-0.4 121,-0.2 124,-0.2 2,-0.1 -0.859 102.3 52.6-104.0 143.1 -0.9 6.7 3.2 5 117 A P S S- 0 0 106 0, 0.0 2,-0.4 0, 0.0 120,-0.2 0.431 86.9-174.9 -68.1 141.3 -2.5 5.7 0.9 6 118 A Y E -F 124 0B 67 118,-2.7 118,-2.7 -2,-0.1 2,-0.5 -0.930 18.0-149.6-114.8 135.4 -1.2 2.3 1.7 7 119 A N E -F 123 0B 71 -2,-0.4 116,-0.2 116,-0.2 114,-0.0 -0.954 8.8-171.2-107.1 120.4 -1.8 -0.9 -0.2 8 120 A L E -F 122 0B 14 114,-2.8 114,-2.1 -2,-0.5 2,-0.1 -0.943 20.7-138.9-106.4 107.5 -1.9 -4.2 1.7 9 121 A P E -F 121 0B 69 0, 0.0 112,-0.3 0, 0.0 111,-0.1 -0.450 8.0-156.9 -62.9 143.1 -1.9 -7.2 -0.7 10 122 A L > - 0 0 0 110,-2.8 3,-2.3 -2,-0.1 2,-0.2 -0.882 20.7-141.4-118.1 86.9 -4.3 -10.0 0.4 11 123 A P T 3 S+ 0 0 93 0, 0.0 110,-0.1 0, 0.0 108,-0.1 -0.326 82.5 1.6 -65.1 124.9 -2.8 -13.0 -1.5 12 124 A G T 3 S- 0 0 57 -2,-0.2 107,-0.2 108,-0.1 108,-0.1 0.734 119.0 -96.1 75.4 17.5 -5.5 -15.2 -2.8 13 125 A G < - 0 0 4 -3,-2.3 104,-0.3 105,-0.2 2,-0.2 -0.173 61.2 -43.1 72.6-164.0 -8.1 -12.9 -1.4 14 126 A V - 0 0 3 102,-2.4 105,-0.2 101,-0.1 104,-0.1 -0.562 50.0-179.6-104.2 168.1 -9.9 -13.1 1.9 15 127 A V > - 0 0 67 -2,-0.2 3,-2.0 102,-0.1 77,-0.3 -0.969 42.4 -73.9-160.8 149.3 -11.4 -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 -0.301 117.9 32.0 -53.9 142.7 -13.2 -16.8 6.9 17 129 A R T 3 S+ 0 0 142 75,-2.5 121,-2.9 1,-0.3 2,-0.5 0.221 85.1 129.6 85.6 -1.5 -10.9 -16.7 9.9 18 130 A M E < -B 137 0A 9 -3,-2.0 74,-2.7 119,-0.2 2,-0.5 -0.704 41.3-163.0 -80.6 125.9 -8.6 -14.0 8.3 19 131 A L E -BC 136 91A 28 117,-3.2 117,-1.9 -2,-0.5 2,-0.5 -0.969 3.8-162.6-114.2 122.1 -8.0 -11.2 10.7 20 132 A I E -BC 135 90A 0 70,-3.0 70,-2.7 -2,-0.5 2,-0.4 -0.887 6.5-163.7-106.1 131.5 -6.7 -7.8 9.5 21 133 A T E -BC 134 89A 27 113,-2.7 113,-2.2 -2,-0.5 2,-0.5 -0.970 6.5-174.1-120.4 127.4 -5.2 -5.4 12.0 22 134 A I E -BC 133 88A 0 66,-2.9 66,-2.6 -2,-0.4 2,-0.4 -0.980 3.0-172.7-121.3 124.5 -4.6 -1.7 11.3 23 135 A L E +BC 132 87A 65 109,-2.5 108,-2.5 -2,-0.5 109,-1.8 -0.964 26.8 116.4-116.3 136.6 -2.8 0.5 13.8 24 136 A G E -BC 130 86A 3 62,-1.9 62,-2.9 -2,-0.4 2,-0.4 -0.940 53.1-100.9-170.0-170.0 -2.5 4.2 13.5 25 137 A T E -BC 129 85A 43 104,-2.5 104,-2.9 -2,-0.3 2,-0.3 -0.998 30.8-120.8-130.8 135.1 -3.4 7.6 14.9 26 138 A V E -B 128 0A 1 58,-2.4 57,-0.7 -2,-0.4 102,-0.2 -0.547 35.0-122.0 -73.9 136.6 -6.1 9.9 13.8 27 139 A K > - 0 0 89 100,-2.6 3,-1.7 -2,-0.3 56,-0.6 -0.321 35.2 -84.9 -72.4 159.1 -4.6 13.3 12.7 28 140 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 54,-0.0 -0.418 114.9 6.0 -59.4 135.6 -5.7 16.6 14.3 29 141 A N T 3 S- 0 0 157 -2,-0.2 -2,-0.1 1,-0.1 22,-0.0 0.768 90.4-178.2 54.4 28.6 -8.8 17.9 12.6 30 142 A A < - 0 0 10 -3,-1.7 -1,-0.1 97,-0.2 52,-0.1 -0.147 19.0-168.4 -44.3 147.1 -9.2 14.7 10.5 31 143 A N - 0 0 82 1,-0.4 20,-2.7 20,-0.1 21,-0.6 0.705 61.7 -3.2-108.3 -40.9 -12.0 14.7 8.0 32 144 A R B -G 50 0B 83 18,-0.2 95,-3.3 19,-0.1 -1,-0.4 -0.994 44.3-161.0-153.7 157.6 -12.2 11.1 6.9 33 145 A I E -H 126 0B 1 16,-2.1 2,-0.4 -2,-0.3 93,-0.3 -0.964 18.7-167.8-128.7 150.7 -10.6 7.6 7.0 34 146 A A E -H 125 0B 0 91,-2.6 91,-2.7 -2,-0.3 2,-0.5 -0.983 17.4-171.5-144.4 135.7 -11.2 4.8 4.5 35 147 A L E -HI 124 47B 1 12,-2.4 12,-2.6 -2,-0.4 2,-0.5 -0.980 15.6-170.1-109.8 129.9 -10.5 1.1 4.2 36 148 A D E -HI 123 46B 25 87,-2.4 87,-2.8 -2,-0.5 2,-0.7 -0.914 10.6-162.9-126.4 103.7 -11.3 -0.3 0.8 37 149 A F E -HI 122 45B 0 8,-3.0 7,-1.8 -2,-0.5 8,-1.4 -0.807 27.8-156.2 -82.8 114.1 -11.2 -4.0 0.3 38 150 A Q E -HI 121 43B 52 83,-2.8 83,-1.2 -2,-0.7 82,-0.7 -0.759 33.4-170.6-108.3 141.9 -10.9 -4.3 -3.5 39 151 A R E > S- I 0 42B 70 3,-2.3 3,-2.2 -2,-0.4 80,-0.2 -0.915 78.9 -61.6-115.8 91.0 -11.8 -7.0 -6.0 40 152 A G T 3 S- 0 0 68 -2,-0.5 -1,-0.1 78,-0.4 81,-0.1 -0.446 119.7 -17.0 59.7-132.0 -10.1 -5.4 -9.1 41 153 A N T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.2 0.619 123.5 93.9 -75.6 -14.2 -11.8 -2.0 -9.6 42 154 A D E < S-I 39 0B 18 -3,-2.2 -3,-2.3 24,-0.1 2,-0.7 -0.506 70.5-140.0 -78.0 153.8 -14.7 -3.1 -7.4 43 155 A V E -IJ 38 64B 5 21,-2.2 21,-2.0 -5,-0.2 -5,-0.3 -0.910 16.3-176.0-112.5 105.8 -14.8 -2.3 -3.7 44 156 A A E S+ 0 0 3 -7,-1.8 68,-0.4 -2,-0.7 2,-0.3 0.899 77.5 13.0 -66.1 -38.8 -16.2 -5.2 -1.9 45 157 A F E -I 37 0B 0 -8,-1.4 -8,-3.0 67,-0.1 2,-0.5 -0.918 64.5-173.7-149.3 111.4 -16.2 -3.4 1.5 46 158 A H E -IJ 36 62B 14 16,-2.6 16,-1.8 -2,-0.3 2,-0.5 -0.968 4.8-170.9-103.5 119.3 -15.7 0.3 2.0 47 159 A F E +IJ 35 61B 0 -12,-2.6 -12,-2.4 -2,-0.5 14,-0.2 -0.981 12.5 175.8-116.5 111.5 -15.4 1.3 5.6 48 160 A N E - J 0 60B 3 12,-2.4 12,-2.3 -2,-0.5 2,-0.3 -0.782 18.8-163.4-135.3 85.9 -15.5 5.1 5.9 49 161 A P E - J 0 59B 0 0, 0.0 -16,-2.1 0, 0.0 2,-0.5 -0.540 13.5-161.0 -61.1 128.9 -15.5 7.1 9.1 50 162 A R E -GJ 32 58B 67 8,-3.0 8,-2.2 -2,-0.3 3,-0.4 -0.986 9.9-168.3-118.2 115.9 -16.6 10.7 8.4 51 163 A F E S+ 0 0 18 -20,-2.7 -19,-0.1 -2,-0.5 -1,-0.1 0.593 81.7 23.1 -85.0 -12.0 -15.6 13.2 11.1 52 164 A N E + 0 0 87 -21,-0.6 2,-0.9 6,-0.1 -1,-0.2 -0.431 63.5 153.3-158.2 69.4 -17.8 16.1 9.8 53 165 A E E > S- J 0 56B 46 3,-2.9 3,-1.0 -3,-0.4 -3,-0.1 -0.863 97.0 -27.1 -98.0 104.4 -20.7 15.1 7.7 54 166 A N T 3 S- 0 0 141 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.917 125.7 -53.1 49.7 41.8 -23.1 18.0 8.4 55 167 A N T 3 S+ 0 0 144 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.712 119.4 107.6 67.2 26.4 -21.3 18.4 11.8 56 168 A R E < -J 53 0B 191 -3,-1.0 -3,-2.9 2,-0.0 2,-0.5 -0.915 66.0-130.5-128.4 155.4 -21.9 14.8 12.7 57 169 A R E + 0 0 95 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.931 40.7 155.1-102.8 122.3 -19.5 11.9 13.0 58 170 A V E -J 50 0B 18 -8,-2.2 -8,-3.0 -2,-0.5 2,-0.5 -0.986 38.9-130.6-148.1 152.4 -20.7 8.8 11.2 59 171 A I E -JK 49 75B 1 16,-0.7 16,-0.7 -2,-0.3 2,-0.5 -0.935 22.5-162.1-105.8 129.7 -19.3 5.7 9.7 60 172 A V E -JK 48 74B 1 -12,-2.3 -12,-2.4 -2,-0.5 2,-0.4 -0.929 5.9-172.5-108.0 131.5 -20.4 4.8 6.2 61 173 A C E +JK 47 73B 2 12,-2.0 12,-2.6 -2,-0.5 2,-0.3 -0.937 19.2 140.4-121.1 144.5 -20.0 1.3 4.7 62 174 A N E -J 46 0B 4 -16,-1.8 -16,-2.6 -2,-0.4 2,-0.3 -0.973 40.1-117.0-164.9 179.0 -20.8 0.4 1.1 63 175 A T E - 0 0 3 -2,-0.3 7,-2.2 -18,-0.2 2,-0.5 -0.969 16.3-148.8-131.1 142.4 -19.8 -1.6 -2.0 64 176 A K E +JL 43 69B 50 -21,-2.0 -21,-2.2 -2,-0.3 2,-0.4 -0.976 17.5 179.7-117.6 118.1 -18.8 -0.3 -5.4 65 177 A L E > S- L 0 68B 79 3,-2.3 3,-2.0 -2,-0.5 -23,-0.1 -0.989 71.5 -12.0-122.1 126.2 -19.6 -2.4 -8.5 66 178 A D T 3 S- 0 0 133 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.868 130.8 -53.7 50.3 40.5 -18.8 -1.4 -12.0 67 179 A N T 3 S+ 0 0 99 1,-0.2 2,-0.5 -26,-0.2 -1,-0.3 0.587 115.7 115.0 72.6 17.6 -18.0 2.1 -10.7 68 180 A N E < -L 65 0B 113 -3,-2.0 -3,-2.3 0, 0.0 2,-0.2 -0.953 60.8-136.0-120.8 124.8 -21.4 2.5 -9.0 69 181 A W E -L 64 0B 114 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.568 23.4-146.6 -73.8 141.7 -21.8 2.8 -5.2 70 182 A G - 0 0 41 -7,-2.2 2,-0.6 -2,-0.2 -1,-0.1 0.125 43.3 -45.2 -87.5-156.6 -24.6 0.8 -3.8 71 183 A R - 0 0 219 1,-0.1 -1,-0.2 -9,-0.0 -8,-0.0 -0.723 65.6-126.6 -84.8 121.7 -26.9 1.4 -0.9 72 184 A E - 0 0 81 -2,-0.6 2,-0.5 -10,-0.1 -10,-0.2 -0.210 10.7-144.6 -68.5 153.8 -25.0 2.6 2.1 73 185 A E E +K 61 0B 76 -12,-2.6 -12,-2.0 2,-0.0 2,-0.4 -0.980 23.1 175.7-119.3 116.3 -25.1 1.2 5.6 74 186 A R E +K 60 0B 110 -2,-0.5 2,-0.3 -14,-0.2 -14,-0.1 -0.949 9.6 176.5-120.2 143.2 -24.8 3.6 8.5 75 187 A Q E -K 59 0B 57 -16,-0.7 -16,-0.7 -2,-0.4 32,-0.0 -0.782 35.3-117.5-133.0 173.6 -25.0 3.0 12.3 76 188 A S S S+ 0 0 110 -2,-0.3 2,-0.3 -18,-0.1 -19,-0.1 0.554 74.3 102.9 -97.0 -16.8 -24.6 5.6 15.0 77 189 A V - 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