==== 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 3ZSJ . 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) . 7380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 74.6 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 . 18 13.0 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 0 132 0, 0.0 2,-0.3 0, 0.0 130,-0.2 0.000 360.0 360.0 360.0 156.4 5.5 4.3 10.1 2 114 A L B -A 130 0A 52 128,-3.0 128,-0.6 4,-0.0 2,-0.4 -0.747 360.0-115.0-114.7 151.9 3.7 3.7 6.8 3 115 A I - 0 0 146 -2,-0.3 126,-0.1 2,-0.1 0, 0.0 -0.769 42.0-108.4 -89.3 129.8 2.8 6.1 3.9 4 116 A V S S+ 0 0 38 -2,-0.4 121,-0.1 124,-0.2 2,-0.1 -0.872 103.1 52.5-101.1 139.5 -0.9 6.7 3.3 5 117 A P S S- 0 0 109 0, 0.0 2,-0.4 0, 0.0 120,-0.2 0.424 87.1-176.8 -64.3 139.8 -2.5 5.8 1.0 6 118 A Y E -F 124 0B 68 118,-2.6 118,-2.6 -2,-0.1 2,-0.6 -0.923 18.0-150.3-116.1 136.9 -1.2 2.3 1.8 7 119 A N E -F 123 0B 64 -2,-0.4 116,-0.2 116,-0.2 114,-0.0 -0.913 7.7-169.5-110.0 122.9 -1.8 -0.9 -0.1 8 120 A L E -F 122 0B 14 114,-3.1 114,-2.2 -2,-0.6 2,-0.1 -0.931 20.0-138.5-107.3 105.6 -1.8 -4.2 1.7 9 121 A P E -F 121 0B 68 0, 0.0 112,-0.3 0, 0.0 111,-0.1 -0.470 7.9-157.2 -62.9 144.2 -1.9 -7.1 -0.7 10 122 A L > - 0 0 0 110,-2.7 3,-2.4 -2,-0.1 2,-0.1 -0.877 21.2-140.1-119.8 88.0 -4.2 -9.9 0.4 11 123 A P T 3 S+ 0 0 92 0, 0.0 110,-0.1 0, 0.0 108,-0.1 -0.317 82.6 0.8 -64.9 126.3 -2.7 -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 0.701 119.8 -93.8 71.4 17.1 -5.4 -15.2 -2.8 13 125 A G < - 0 0 5 -3,-2.4 104,-0.3 105,-0.2 2,-0.2 -0.196 61.7 -43.5 75.0-167.2 -8.0 -12.9 -1.4 14 126 A V - 0 0 3 102,-2.4 105,-0.2 101,-0.1 104,-0.1 -0.578 50.8-179.2 -99.1 167.6 -9.7 -13.1 1.9 15 127 A V > - 0 0 69 -2,-0.2 3,-2.0 102,-0.1 77,-0.3 -0.976 43.0 -74.7-159.1 149.8 -11.1 -16.2 3.6 16 128 A P T 3 S+ 0 0 44 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.311 117.9 33.3 -55.3 141.0 -12.9 -16.9 6.9 17 129 A R T 3 S+ 0 0 134 75,-2.6 121,-2.8 1,-0.3 2,-0.5 0.207 83.8 129.7 89.3 -1.3 -10.6 -16.7 9.9 18 130 A M E < -B 137 0A 11 -3,-2.0 74,-2.9 119,-0.2 2,-0.5 -0.678 41.6-162.8 -81.9 127.0 -8.4 -14.1 8.3 19 131 A L E -BC 136 91A 28 117,-3.2 117,-1.9 -2,-0.5 2,-0.4 -0.962 4.2-162.0-114.6 118.9 -7.9 -11.2 10.8 20 132 A I E -BC 135 90A 0 70,-3.0 70,-2.5 -2,-0.5 2,-0.4 -0.854 6.5-164.7 -97.8 135.0 -6.6 -7.8 9.5 21 133 A T E -BC 134 89A 29 113,-2.8 113,-2.1 -2,-0.4 2,-0.4 -0.985 5.4-174.3-124.3 127.2 -5.1 -5.5 12.1 22 134 A I E -BC 133 88A 1 66,-2.9 66,-2.8 -2,-0.4 2,-0.4 -0.980 2.4-172.5-119.9 124.5 -4.6 -1.8 11.5 23 135 A L E +BC 132 87A 65 109,-2.4 108,-2.4 -2,-0.4 109,-1.8 -0.964 26.4 119.6-117.9 132.2 -2.8 0.5 14.0 24 136 A G E -BC 130 86A 3 62,-2.0 62,-3.1 -2,-0.4 2,-0.4 -0.956 52.0-105.0-168.5-174.9 -2.6 4.2 13.6 25 137 A T E -BC 129 85A 42 104,-2.5 104,-2.7 -2,-0.3 2,-0.3 -0.995 31.4-121.0-127.9 133.5 -3.4 7.6 15.1 26 138 A V E -B 128 0A 2 58,-2.4 57,-0.7 -2,-0.4 102,-0.3 -0.604 35.5-113.5 -71.7 134.1 -6.1 9.9 13.9 27 139 A K > - 0 0 62 100,-2.6 3,-1.6 -2,-0.3 56,-0.8 -0.230 32.6-100.6 -65.6 159.0 -4.7 13.3 12.8 28 140 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 0.792 116.1 20.1 -56.9 -40.1 -5.7 16.4 14.9 29 141 A N T 3 S+ 0 0 153 53,-0.1 -2,-0.1 54,-0.0 22,-0.0 -0.133 89.8 174.4-121.8 38.7 -8.4 17.8 12.6 30 142 A A < - 0 0 10 -3,-1.6 52,-0.1 97,-0.2 3,-0.1 0.006 22.0-173.8 -51.3 148.1 -9.2 14.7 10.6 31 143 A N - 0 0 84 1,-0.3 20,-2.5 20,-0.1 21,-0.6 0.729 63.3 -5.2-105.3 -40.1 -12.0 14.6 8.2 32 144 A R B -G 50 0B 83 18,-0.2 95,-3.2 19,-0.1 -1,-0.3 -0.992 43.2-159.3-155.6 159.6 -12.1 11.0 7.1 33 145 A I E -H 126 0B 1 16,-2.0 2,-0.4 -2,-0.3 93,-0.3 -0.971 19.3-167.4-131.4 151.1 -10.6 7.5 7.2 34 146 A A E -H 125 0B 0 91,-2.6 91,-2.7 -2,-0.3 2,-0.4 -0.975 17.3-170.5-146.2 136.5 -11.2 4.8 4.6 35 147 A L E -HI 124 47B 1 12,-2.4 12,-2.5 -2,-0.4 2,-0.5 -0.981 15.3-170.8-109.5 129.6 -10.5 1.1 4.4 36 148 A D E -HI 123 46B 25 87,-2.6 87,-2.7 -2,-0.4 2,-0.7 -0.921 9.8-165.4-127.3 103.6 -11.2 -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 -0.814 28.0-158.2 -84.9 112.9 -11.1 -4.1 0.4 38 150 A Q E -HI 121 43B 53 83,-2.8 83,-1.2 -2,-0.7 82,-0.7 -0.778 34.0-168.2-110.0 146.2 -10.9 -4.3 -3.4 39 151 A R E > S- I 0 42B 69 3,-2.3 3,-2.3 -2,-0.3 80,-0.2 -0.921 78.1 -62.4-117.6 91.5 -11.7 -6.9 -6.0 40 152 A G T 3 S- 0 0 65 -2,-0.5 -1,-0.1 78,-0.3 81,-0.0 -0.428 119.8 -15.7 58.5-132.2 -10.0 -5.3 -9.0 41 153 A N T 3 S+ 0 0 105 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.609 123.6 92.5 -73.6 -16.4 -11.8 -2.0 -9.6 42 154 A D E < S-I 39 0B 19 -3,-2.3 -3,-2.3 24,-0.1 2,-0.7 -0.495 71.2-140.0 -78.0 153.5 -14.7 -3.1 -7.4 43 155 A V E -IJ 38 64B 7 21,-2.1 21,-2.1 -5,-0.2 -5,-0.3 -0.927 15.9-175.0-113.4 105.2 -14.7 -2.3 -3.7 44 156 A A E S+ 0 0 3 -7,-1.8 68,-0.4 -2,-0.7 2,-0.4 0.890 78.0 11.7 -64.8 -41.1 -16.1 -5.3 -1.8 45 157 A F E -I 37 0B 0 -8,-1.4 -8,-3.0 67,-0.1 2,-0.5 -0.917 65.4-174.3-147.4 113.5 -16.1 -3.5 1.5 46 158 A H E -IJ 36 62B 14 16,-2.7 16,-1.7 -2,-0.4 2,-0.5 -0.955 4.4-171.7-108.0 124.4 -15.6 0.2 2.0 47 159 A F E +IJ 35 61B 0 -12,-2.5 -12,-2.4 -2,-0.5 14,-0.2 -0.986 11.4 176.7-122.5 113.0 -15.4 1.3 5.7 48 160 A N E - J 0 60B 3 12,-2.4 12,-2.2 -2,-0.5 2,-0.3 -0.769 18.5-162.0-135.4 88.5 -15.4 5.1 6.0 49 161 A P E - J 0 59B 0 0, 0.0 -16,-2.0 0, 0.0 2,-0.5 -0.519 13.7-161.8 -61.0 126.9 -15.4 7.0 9.2 50 162 A R E -GJ 32 58B 64 8,-3.1 8,-2.2 -2,-0.3 3,-0.4 -0.981 10.7-167.9-117.1 121.5 -16.6 10.6 8.6 51 163 A F E S+ 0 0 18 -20,-2.5 -19,-0.1 -2,-0.5 -1,-0.1 0.611 82.2 24.4 -85.6 -15.5 -15.7 13.1 11.2 52 164 A N E + 0 0 86 -21,-0.6 2,-0.8 6,-0.1 -1,-0.2 -0.469 62.0 154.0-153.7 73.2 -17.9 15.9 9.9 53 165 A E E > S- J 0 56B 49 3,-2.9 3,-1.2 -3,-0.4 -3,-0.1 -0.919 97.7 -29.2-100.4 102.1 -20.9 14.9 7.8 54 166 A N T 3 S- 0 0 141 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.898 125.6 -51.1 47.1 48.6 -23.1 17.9 8.5 55 167 A N T 3 S+ 0 0 144 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.685 119.4 107.9 65.3 26.5 -21.5 18.3 11.9 56 168 A R E < -J 53 0B 191 -3,-1.2 -3,-2.9 2,-0.0 2,-0.5 -0.901 66.0-130.4-127.1 153.2 -22.0 14.6 12.8 57 169 A R E + 0 0 93 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.918 40.7 156.8-101.4 125.7 -19.6 11.7 13.1 58 170 A V E -J 50 0B 15 -8,-2.2 -8,-3.1 -2,-0.5 2,-0.5 -0.996 37.9-133.6-148.1 150.7 -20.7 8.7 11.2 59 171 A I E -JK 49 75B 1 16,-1.6 16,-1.1 -2,-0.3 2,-0.5 -0.923 22.2-160.9-109.1 128.9 -19.2 5.5 9.7 60 172 A V E -JK 48 74B 1 -12,-2.2 -12,-2.4 -2,-0.5 2,-0.4 -0.926 6.6-171.9-108.8 128.0 -20.4 4.7 6.2 61 173 A C E +JK 47 73B 3 12,-2.5 12,-2.7 -2,-0.5 2,-0.3 -0.949 19.8 139.2-119.1 143.0 -20.0 1.2 4.8 62 174 A N E -J 46 0B 2 -16,-1.7 -16,-2.7 -2,-0.4 2,-0.3 -0.960 41.4-116.4-164.2 179.5 -20.7 0.2 1.2 63 175 A T E - 0 0 3 -2,-0.3 7,-2.3 -18,-0.2 2,-0.5 -0.969 17.2-149.2-131.2 138.9 -19.7 -1.7 -1.9 64 176 A K E +JL 43 69B 43 -21,-2.1 -21,-2.1 -2,-0.3 2,-0.4 -0.976 18.0 178.9-114.2 121.0 -18.7 -0.3 -5.3 65 177 A L E > S- L 0 68B 81 3,-2.5 3,-2.2 -2,-0.5 -23,-0.1 -0.991 71.4 -11.1-125.5 125.1 -19.6 -2.5 -8.4 66 178 A D T 3 S- 0 0 133 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.856 130.8 -54.4 52.1 41.7 -18.8 -1.4 -11.9 67 179 A N T 3 S+ 0 0 105 1,-0.2 2,-0.5 -26,-0.2 -1,-0.3 0.478 115.8 116.5 71.1 11.9 -18.0 2.1 -10.6 68 180 A N E < -L 65 0B 114 -3,-2.2 -3,-2.5 0, 0.0 2,-0.2 -0.949 59.9-137.0-113.6 122.7 -21.4 2.4 -8.8 69 181 A W E -L 64 0B 118 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.502 22.6-147.6 -72.5 142.1 -21.9 2.7 -5.1 70 182 A G - 0 0 40 -7,-2.3 2,-0.6 -2,-0.2 -1,-0.1 0.099 44.4 -43.0 -89.6-156.5 -24.6 0.6 -3.6 71 183 A R - 0 0 217 1,-0.1 -1,-0.2 -9,-0.0 -8,-0.1 -0.655 65.6-125.8 -80.8 120.9 -26.9 1.1 -0.7 72 184 A E - 0 0 84 -2,-0.6 2,-0.5 -10,-0.1 -10,-0.2 -0.343 11.1-147.6 -63.9 146.1 -25.0 2.5 2.3 73 185 A E E -K 61 0B 71 -12,-2.7 -12,-2.5 -2,-0.0 2,-0.4 -0.979 20.8-165.9-111.8 125.9 -25.0 0.9 5.7 74 186 A R E +K 60 0B 113 -2,-0.5 2,-0.3 -14,-0.2 -14,-0.2 -0.973 15.3 179.1-123.9 132.5 -24.7 3.4 8.5 75 187 A Q E -K 59 0B 56 -16,-1.1 -16,-1.6 -2,-0.4 32,-0.0 -0.859 17.1-154.7-119.7 145.0 -23.9 3.0 12.2 76 188 A S + 0 0 97 -2,-0.3 2,-0.3 -18,-0.2 -19,-0.1 0.559 63.0 108.9-107.8 -16.2 -23.7 6.0 14.6 77 189 A V - 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