==== 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 12-SEP-03 1ULF . COMPND 2 MOLECULE: GALECTIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: COPRINOPSIS CINEREA; . AUTHOR P.J.WALSER,P.W.HAEBEL,M.KUENZLER,U.KUES,M.AEBI,N.BAN . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 64.7 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 . 123 41.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 40 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0 0 8 7 5 0 0 0 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 4 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 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 1 A M 0 0 109 0, 0.0 139,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 121.8 41.6 -9.6 29.5 2 2 A L E +A 139 0A 94 137,-0.2 2,-0.3 135,-0.0 137,-0.2 -0.726 360.0 175.9 -91.4 135.3 43.9 -6.8 30.7 3 3 A Y E -A 138 0A 28 135,-2.2 135,-2.4 -2,-0.4 2,-0.6 -0.960 26.7-141.7-135.2 153.0 47.3 -6.3 29.0 4 4 A H E -A 137 0A 102 -2,-0.3 2,-0.8 133,-0.2 133,-0.2 -0.933 20.6-164.4-117.2 103.4 50.1 -3.7 29.4 5 5 A L E -A 136 0A 0 131,-1.8 131,-2.0 -2,-0.6 2,-0.2 -0.809 7.8-153.4 -94.0 109.0 51.5 -3.0 26.0 6 6 A F > - 0 0 105 -2,-0.8 3,-1.5 129,-0.3 119,-0.3 -0.484 29.7 -90.9 -81.8 150.6 54.9 -1.2 26.2 7 7 A V T 3 S+ 0 0 34 1,-0.3 119,-0.2 -2,-0.2 -1,-0.1 -0.306 112.6 15.1 -60.4 139.3 56.2 1.1 23.4 8 8 A N T 3 S+ 0 0 94 117,-1.9 -1,-0.3 1,-0.3 2,-0.2 0.718 119.6 81.6 65.8 23.9 58.4 -0.8 20.8 9 9 A N E < -F 125 0B 95 -3,-1.5 116,-2.8 116,-0.8 2,-0.3 -0.652 64.7-140.3-136.8-167.4 57.0 -4.1 22.2 10 10 A Q E -F 124 0B 100 114,-0.3 2,-0.4 -2,-0.2 114,-0.2 -0.930 10.2-127.4-152.5 171.8 54.0 -6.3 21.8 11 11 A V E -F 123 0B 19 112,-1.7 112,-1.6 -2,-0.3 2,-0.7 -0.998 18.5-133.0-130.9 134.0 51.7 -8.5 23.9 12 12 A K E -F 122 0B 176 -2,-0.4 110,-0.2 110,-0.2 2,-0.1 -0.788 29.6-130.0 -87.1 116.2 50.9 -12.1 23.0 13 13 A L E - 0 0 11 108,-2.1 4,-0.0 -2,-0.7 3,-0.0 -0.428 1.4-141.2 -69.7 137.5 47.1 -12.5 23.3 14 14 A Q E S+ 0 0 143 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.842 93.7 25.5 -65.0 -32.6 45.9 -15.4 25.5 15 15 A N E S- 0 0 120 3,-0.0 -1,-0.1 105,-0.0 105,-0.0 -0.940 101.4 -92.6-129.2 150.8 43.1 -15.9 22.9 16 16 A D E - 0 0 86 -2,-0.3 2,-1.0 1,-0.1 105,-0.2 -0.326 33.8-119.8 -64.8 142.9 43.1 -14.9 19.2 17 17 A F E +F 120 0B 2 103,-3.1 103,-2.2 4,-0.1 -1,-0.1 -0.776 60.6 147.3 -82.7 107.2 41.7 -11.5 18.3 18 18 A K > - 0 0 91 -2,-1.0 3,-2.4 101,-0.2 77,-0.4 -0.658 50.7 -34.4-131.7-174.6 38.9 -12.7 16.0 19 19 A P T 3 S+ 0 0 47 0, 0.0 77,-0.2 0, 0.0 -1,-0.2 -0.209 128.9 19.0 -50.6 131.7 35.3 -11.8 15.0 20 20 A E T 3 S+ 0 0 18 75,-3.5 124,-0.1 1,-0.3 76,-0.1 -0.042 94.4 131.9 95.5 -25.7 33.4 -10.2 17.9 21 21 A S < - 0 0 4 -3,-2.4 74,-2.1 122,-0.1 2,-0.4 -0.193 40.8-158.5 -58.5 147.3 36.6 -9.4 19.8 22 22 A V E -BC 94 141A 1 119,-2.5 119,-3.3 72,-0.2 2,-0.5 -0.997 8.2-166.8-133.1 131.8 37.0 -5.9 21.2 23 23 A A E -BC 93 140A 0 70,-2.9 70,-2.5 -2,-0.4 2,-0.7 -0.960 2.0-168.5-122.3 115.3 40.3 -4.1 22.1 24 24 A A E -BC 92 139A 14 115,-2.7 115,-2.1 -2,-0.5 2,-0.5 -0.900 8.3-167.5-105.9 109.4 40.1 -0.9 24.1 25 25 A I E -BC 91 138A 3 66,-3.2 66,-2.2 -2,-0.7 2,-0.4 -0.844 7.7-178.4 -99.1 127.2 43.5 0.9 24.2 26 26 A R E -BC 90 137A 125 111,-3.0 111,-3.2 -2,-0.5 2,-0.3 -0.983 13.7-153.2-132.7 135.8 43.9 3.7 26.7 27 27 A S - 0 0 5 62,-2.8 109,-0.1 -2,-0.4 107,-0.0 -0.800 14.2-147.7-104.7 145.1 46.9 6.0 27.3 28 28 A S S S+ 0 0 92 107,-0.4 2,-0.3 -2,-0.3 60,-0.1 0.326 84.3 25.3 -88.9 6.6 47.6 7.7 30.7 29 29 A A - 0 0 29 60,-0.2 104,-0.5 104,-0.0 2,-0.4 -0.988 59.2-143.4-161.2 167.8 49.0 10.6 28.8 30 30 A F - 0 0 56 -2,-0.3 2,-1.2 102,-0.2 102,-0.2 -0.878 14.4-159.0-140.7 102.2 49.1 12.7 25.6 31 31 A N > - 0 0 73 100,-2.5 3,-2.3 -2,-0.4 -2,-0.0 -0.740 6.2-162.3 -86.4 98.3 52.5 14.0 24.6 32 32 A S T 3 S+ 0 0 91 -2,-1.2 -1,-0.2 1,-0.3 99,-0.1 0.777 88.4 49.2 -51.2 -34.5 51.5 16.9 22.3 33 33 A K T 3 S+ 0 0 193 -3,-0.1 -1,-0.3 97,-0.1 98,-0.1 0.098 87.2 124.3 -95.7 22.8 55.0 17.0 20.8 34 34 A G < - 0 0 10 -3,-2.3 96,-0.2 97,-0.1 97,-0.1 -0.303 51.2-134.0 -77.2 166.4 55.2 13.3 20.1 35 35 A G - 0 0 27 94,-3.1 96,-0.3 1,-0.3 -1,-0.1 -0.110 50.7 -28.1-104.6-157.3 55.8 11.8 16.7 36 36 A T - 0 0 67 19,-0.1 92,-0.5 94,-0.1 2,-0.4 -0.324 61.1-165.0 -58.3 131.6 54.4 9.1 14.5 37 37 A T E -G 54 0B 0 17,-2.6 17,-3.1 90,-0.1 2,-0.3 -0.987 2.4-162.3-128.0 128.3 52.9 6.3 16.6 38 38 A V E -GH 53 126B 15 88,-3.2 88,-2.7 -2,-0.4 2,-0.4 -0.856 14.6-175.1-118.1 145.3 52.0 2.9 15.4 39 39 A F E -GH 52 125B 0 13,-2.0 13,-2.5 -2,-0.3 2,-0.4 -0.999 14.0-172.2-132.2 128.1 49.8 -0.0 16.5 40 40 A N E -GH 51 124B 10 84,-2.3 84,-2.9 -2,-0.4 2,-0.6 -0.960 19.2-148.0-124.5 142.8 49.7 -3.3 14.6 41 41 A F E -GH 50 123B 0 9,-2.1 8,-1.8 -2,-0.4 9,-1.2 -0.953 28.8-162.2-106.7 118.0 47.6 -6.4 15.0 42 42 A L E -GH 48 122B 18 80,-2.7 79,-3.1 -2,-0.6 80,-1.8 -0.846 14.0-137.4-110.1 141.3 49.7 -9.4 14.0 43 43 A S > - 0 0 6 4,-2.2 3,-2.0 -2,-0.4 77,-0.2 -0.304 42.0 -97.4 -79.5 172.3 48.8 -13.0 13.0 44 44 A A T 3 S+ 0 0 90 75,-0.4 -1,-0.1 1,-0.3 76,-0.1 0.828 128.9 57.8 -62.0 -29.0 50.8 -15.8 14.5 45 45 A G T 3 S- 0 0 41 2,-0.0 -1,-0.3 1,-0.0 23,-0.1 0.385 123.0-110.1 -81.1 5.6 52.8 -15.8 11.2 46 46 A E < + 0 0 101 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.755 65.3 154.2 70.9 28.0 53.6 -12.2 12.0 47 47 A N - 0 0 23 20,-0.1 -4,-2.2 22,-0.1 2,-1.2 -0.649 48.7-124.1 -82.6 144.8 51.5 -10.8 9.2 48 48 A I E +GI 42 66B 10 18,-2.4 18,-1.9 -2,-0.3 -6,-0.2 -0.763 34.7 173.2 -94.0 94.0 50.3 -7.3 9.9 49 49 A L E S+ 0 0 4 -8,-1.8 2,-0.4 -2,-1.2 66,-0.3 0.886 73.7 19.5 -67.6 -40.6 46.5 -7.6 9.5 50 50 A L E -G 41 0B 0 -9,-1.2 -9,-2.1 -3,-0.2 2,-0.5 -0.974 67.2-171.9-139.1 121.9 45.9 -4.1 10.7 51 51 A H E -GI 40 64B 21 13,-2.2 13,-1.4 -2,-0.4 2,-0.6 -0.960 2.0-172.1-115.0 121.5 48.4 -1.3 10.7 52 52 A I E -GI 39 63B 0 -13,-2.5 -13,-2.0 -2,-0.5 2,-0.7 -0.951 3.4-175.9-117.0 110.5 47.5 2.0 12.4 53 53 A S E -GI 38 62B 4 9,-3.2 9,-3.0 -2,-0.6 2,-0.7 -0.883 7.5-163.3-113.2 102.9 50.0 4.8 11.8 54 54 A I E -GI 37 61B 0 -17,-3.1 -17,-2.6 -2,-0.7 7,-0.2 -0.745 10.1-178.6 -86.0 112.5 49.2 8.0 13.7 55 55 A R E >>> + I 0 60B 47 5,-2.8 5,-2.0 -2,-0.7 4,-0.7 -0.764 13.8 174.3-118.1 88.1 51.2 10.9 12.1 56 56 A P G >45S+ 0 0 29 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.862 82.9 57.9 -59.7 -34.1 50.7 14.2 13.9 57 57 A G G 345S+ 0 0 83 1,-0.3 -2,-0.1 2,-0.1 -22,-0.0 0.840 114.1 37.2 -64.3 -33.5 53.3 15.8 11.8 58 58 A E G <45S- 0 0 106 -3,-0.7 -1,-0.3 2,-0.2 3,-0.1 0.395 107.3-128.5 -95.2 -1.9 51.5 14.9 8.6 59 59 A N T <<5S+ 0 0 81 -4,-0.7 21,-1.2 -3,-0.6 2,-0.3 0.906 73.0 106.3 52.4 45.0 48.1 15.6 10.3 60 60 A V E < -IJ 55 79B 11 -5,-2.0 -5,-2.8 19,-0.3 2,-0.5 -0.990 62.5-144.0-151.3 156.2 47.0 12.1 9.1 61 61 A I E -IJ 54 78B 0 17,-2.4 17,-1.3 -2,-0.3 2,-0.4 -0.996 25.9-154.8-122.2 123.8 46.3 8.6 10.4 62 62 A V E -IJ 53 77B 1 -9,-3.0 -9,-3.2 -2,-0.5 2,-0.4 -0.840 7.6-165.1-106.5 138.0 47.2 5.8 7.9 63 63 A F E +IJ 52 76B 1 13,-2.6 13,-1.8 -2,-0.4 2,-0.3 -0.952 24.1 137.6-120.4 140.9 45.7 2.3 7.7 64 64 A N E -I 51 0B 2 -13,-1.4 -13,-2.2 -2,-0.4 2,-0.3 -0.951 31.6-141.0-163.7-179.5 47.3 -0.6 5.8 65 65 A S E + 0 0 6 -2,-0.3 8,-0.9 -15,-0.2 2,-0.3 -0.975 18.6 166.9-150.6 156.9 48.1 -4.3 5.8 66 66 A R E -I 48 0B 70 -18,-1.9 -18,-2.4 -2,-0.3 6,-0.1 -0.959 35.4-103.0-169.7 154.8 50.9 -6.5 4.6 67 67 A L > - 0 0 91 4,-0.4 3,-2.5 -2,-0.3 -20,-0.1 -0.440 51.5 -93.4 -78.9 159.3 52.4 -10.0 4.8 68 68 A K T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -23,-0.1 -22,-0.1 0.844 125.8 12.0 -37.9 -51.6 55.4 -10.6 7.1 69 69 A N T 3 S+ 0 0 156 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.217 113.1 104.5-123.7 41.6 57.7 -10.1 4.1 70 70 A G S < S- 0 0 27 -3,-2.5 2,-0.1 1,-0.1 0, 0.0 -0.710 71.5 -95.2-117.3 169.5 55.2 -8.7 1.7 71 71 A A - 0 0 90 -2,-0.2 -4,-0.4 1,-0.1 -1,-0.1 -0.393 40.4-100.0 -83.7 162.0 54.6 -5.2 0.4 72 72 A W - 0 0 111 -6,-0.1 -6,-0.2 -2,-0.1 -1,-0.1 -0.347 33.1-135.4 -72.8 159.3 52.0 -2.7 1.6 73 73 A G - 0 0 31 -8,-0.9 2,-0.2 1,-0.2 -1,-0.1 -0.299 50.6 -53.2-100.8-168.5 48.7 -2.3 -0.2 74 74 A P - 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -9,-0.1 -0.496 67.4-116.9 -69.9 136.2 47.1 1.0 -1.1 75 75 A E - 0 0 89 -2,-0.2 2,-0.4 -11,-0.1 -11,-0.2 -0.278 15.8-148.3 -73.8 158.4 46.7 3.2 2.1 76 76 A E E -J 63 0B 70 -13,-1.8 -13,-2.6 2,-0.0 2,-0.3 -0.999 26.6-173.6-125.1 125.6 43.5 4.4 3.6 77 77 A R E +J 62 0B 112 -2,-0.4 -15,-0.2 -15,-0.2 -17,-0.0 -0.835 20.9 176.8-126.5 162.9 43.7 7.7 5.4 78 78 A I E -J 61 0B 37 -17,-1.3 -17,-2.4 -2,-0.3 -2,-0.0 -0.968 45.9 -83.0-154.1 153.3 41.8 10.2 7.5 79 79 A P E -J 60 0B 77 0, 0.0 -19,-0.3 0, 0.0 -20,-0.1 -0.317 27.6-149.9 -62.2 143.4 42.7 13.6 9.1 80 80 A Y + 0 0 32 -21,-1.2 3,-0.5 -25,-0.2 4,-0.4 0.866 63.0 106.9 -79.9 -40.8 44.6 13.3 12.5 81 81 A A S S+ 0 0 42 -22,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.021 88.3 2.3 -44.8 139.2 43.3 16.6 13.9 82 82 A E S S+ 0 0 176 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.893 95.0 110.4 43.4 59.1 40.6 16.4 16.6 83 83 A K + 0 0 31 -3,-0.5 23,-2.4 1,-0.2 22,-1.5 0.601 67.4 56.3-120.5 -39.0 40.5 12.6 16.9 84 84 A F - 0 0 15 -4,-0.4 -1,-0.2 21,-0.2 -2,-0.1 -0.686 68.7-143.2-101.8 153.4 42.1 12.1 20.4 85 85 A R - 0 0 116 -2,-0.3 3,-0.4 5,-0.1 0, 0.0 -0.931 33.1-106.8-118.7 111.8 41.1 13.6 23.7 86 86 A P S S+ 0 0 75 0, 0.0 -57,-0.0 0, 0.0 -55,-0.0 -0.362 87.0 20.9 -71.1 156.3 43.8 14.6 26.2 87 87 A P S S+ 0 0 90 0, 0.0 -56,-0.0 0, 0.0 -3,-0.0 -0.994 134.0 24.8 -93.8 -3.9 45.0 13.6 28.7 88 88 A N S S- 0 0 89 -3,-0.4 -60,-0.1 -60,-0.1 -58,-0.1 -0.573 77.4-178.7-117.2 69.5 43.8 10.0 28.4 89 89 A P - 0 0 1 0, 0.0 -62,-2.8 0, 0.0 2,-0.3 -0.241 7.0-166.1 -65.7 157.0 43.3 9.4 24.7 90 90 A S E -B 26 0A 25 -64,-0.2 2,-0.4 2,-0.0 15,-0.2 -0.917 20.1-154.6-142.3 167.1 42.1 6.0 23.5 91 91 A I E -B 25 0A 2 -66,-2.2 -66,-3.2 -2,-0.3 2,-0.5 -0.984 12.3-162.1-143.1 129.7 41.7 3.8 20.4 92 92 A T E -BD 24 103A 25 11,-3.1 11,-2.6 -2,-0.4 2,-0.5 -0.970 4.7-171.2-120.1 127.9 39.1 1.0 20.1 93 93 A V E -BD 23 102A 0 -70,-2.5 -70,-2.9 -2,-0.5 2,-0.4 -0.972 2.2-174.5-120.5 128.7 39.3 -1.8 17.6 94 94 A I E -BD 22 101A 15 7,-2.3 7,-2.3 -2,-0.5 2,-0.7 -0.975 19.5-139.1-123.9 134.1 36.5 -4.2 17.0 95 95 A D E + D 0 100A 1 -74,-2.1 -75,-3.5 -2,-0.4 5,-0.2 -0.842 19.2 179.3 -94.6 115.1 36.7 -7.2 14.7 96 96 A H - 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