==== 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 1ULE . 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) . 14188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 64.0 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 . 125 41.7 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 . 36 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 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 0 110 0, 0.0 139,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.3 61.2 16.5 48.9 2 2 A L E +A 139 0A 91 137,-0.2 2,-0.3 135,-0.0 137,-0.2 -0.739 360.0 176.1 -95.9 136.3 57.9 16.6 50.7 3 3 A Y E -A 138 0A 30 135,-2.2 135,-2.4 -2,-0.4 2,-0.7 -0.969 26.2-140.2-135.3 150.5 54.8 18.3 49.4 4 4 A H E -A 137 0A 103 -2,-0.3 2,-0.8 133,-0.2 133,-0.2 -0.926 21.1-161.6-113.6 104.5 51.2 18.6 50.6 5 5 A L E -A 136 0A 0 131,-2.1 131,-1.9 -2,-0.7 2,-0.2 -0.786 6.9-155.1 -92.4 108.9 48.9 18.3 47.6 6 6 A F > - 0 0 108 -2,-0.8 3,-0.8 129,-0.3 119,-0.3 -0.507 29.1 -92.1 -83.4 149.9 45.4 19.6 48.3 7 7 A V T 3 S+ 0 0 41 1,-0.2 119,-0.2 -2,-0.2 3,-0.1 -0.274 109.9 13.6 -61.8 143.9 42.3 18.4 46.5 8 8 A N T 3 S+ 0 0 94 117,-1.9 -1,-0.2 1,-0.3 2,-0.2 0.889 121.6 76.4 55.7 42.7 41.3 20.4 43.4 9 9 A N E < -F 125 0B 93 116,-1.4 116,-2.4 -3,-0.8 2,-0.3 -0.801 67.0-139.1-155.5-167.0 44.7 22.1 43.5 10 10 A Q E -F 124 0B 92 -2,-0.2 2,-0.4 114,-0.2 114,-0.2 -0.948 9.1-124.9-157.5 173.6 48.3 21.3 42.7 11 11 A V E -F 123 0B 18 112,-2.0 112,-1.7 -2,-0.3 2,-0.6 -0.996 18.8-134.8-131.0 135.2 51.9 21.6 43.8 12 12 A K E -F 122 0B 173 -2,-0.4 110,-0.2 110,-0.2 2,-0.1 -0.814 29.4-127.3 -90.2 122.8 54.8 23.1 41.8 13 13 A L E - 0 0 13 108,-2.4 4,-0.0 -2,-0.6 3,-0.0 -0.442 1.0-140.3 -73.4 141.4 57.8 20.9 42.0 14 14 A Q E S+ 0 0 145 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.805 93.1 26.1 -67.8 -30.7 61.2 22.4 43.1 15 15 A N E S- 0 0 114 105,-0.0 2,-0.1 106,-0.0 -1,-0.1 -0.923 100.1 -90.9-130.3 156.5 62.8 20.2 40.5 16 16 A D E - 0 0 86 -2,-0.3 2,-0.9 1,-0.1 105,-0.2 -0.424 35.6-122.5 -68.0 137.3 61.6 18.7 37.2 17 17 A F E +F 120 0B 2 103,-3.2 103,-2.0 -2,-0.1 -1,-0.1 -0.751 58.7 147.9 -80.2 111.1 60.0 15.2 37.5 18 18 A K > - 0 0 92 -2,-0.9 3,-3.1 1,-0.2 77,-0.3 -0.736 49.3 -33.1-136.8-177.3 62.3 13.4 35.1 19 19 A P T 3 S+ 0 0 50 0, 0.0 77,-0.2 0, 0.0 -1,-0.2 -0.105 129.3 18.8 -44.6 135.3 64.0 10.0 34.4 20 20 A E T 3 S+ 0 0 20 75,-3.1 124,-0.2 1,-0.3 76,-0.1 0.125 95.1 132.9 86.6 -17.6 64.9 8.3 37.7 21 21 A S < - 0 0 4 -3,-3.1 74,-2.3 74,-0.1 2,-0.4 -0.330 38.9-162.1 -65.9 149.0 62.4 10.5 39.6 22 22 A V E -BC 94 141A 1 119,-2.1 119,-3.2 72,-0.2 2,-0.5 -0.999 7.8-166.6-135.7 131.3 60.0 8.8 42.0 23 23 A A E -BC 93 140A 0 70,-3.0 70,-2.6 -2,-0.4 2,-0.7 -0.965 2.0-167.4-123.3 116.5 56.8 10.2 43.5 24 24 A A E -BC 92 139A 13 115,-2.9 115,-2.3 -2,-0.5 2,-0.5 -0.899 7.5-168.2-105.9 110.0 55.2 8.4 46.4 25 25 A I E -BC 91 138A 4 66,-3.2 66,-2.5 -2,-0.7 2,-0.4 -0.845 7.7-177.2 -99.1 128.9 51.7 9.7 47.1 26 26 A R E -BC 90 137A 131 111,-3.1 111,-2.8 -2,-0.5 2,-0.3 -0.993 13.4-150.7-132.6 137.8 50.1 8.7 50.3 27 27 A S - 0 0 5 62,-2.6 109,-0.1 -2,-0.4 107,-0.0 -0.816 12.5-148.3-105.9 143.0 46.6 9.3 51.7 28 28 A S S S+ 0 0 89 107,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.422 84.0 25.3 -87.4 2.9 45.7 9.6 55.4 29 29 A A - 0 0 30 60,-0.1 104,-0.5 57,-0.0 2,-0.4 -0.985 61.2-142.3-158.1 164.6 42.3 8.2 54.7 30 30 A F B -K 132 0C 51 -2,-0.3 2,-1.3 102,-0.2 102,-0.2 -0.908 10.6-163.8-136.2 105.8 40.2 6.0 52.4 31 31 A N > - 0 0 70 100,-2.4 3,-3.0 -2,-0.4 101,-0.1 -0.696 5.3-168.1 -92.3 84.7 36.6 7.2 51.7 32 32 A S T 3 S+ 0 0 84 -2,-1.3 -1,-0.2 1,-0.3 99,-0.1 0.689 85.0 53.1 -45.1 -26.7 35.2 4.0 50.2 33 33 A K T 3 S+ 0 0 188 97,-0.1 -1,-0.3 -3,-0.1 98,-0.1 0.218 85.7 117.5 -98.0 15.0 32.1 5.9 49.1 34 34 A G < - 0 0 7 -3,-3.0 96,-0.2 1,-0.1 97,-0.1 -0.215 56.4-127.9 -75.9 171.3 34.0 8.6 47.2 35 35 A G - 0 0 26 94,-3.4 96,-0.3 1,-0.2 -1,-0.1 -0.058 53.7 -28.3-102.5-155.7 33.8 9.3 43.5 36 36 A T - 0 0 68 19,-0.1 92,-0.5 94,-0.1 2,-0.4 -0.370 60.0-164.4 -61.7 130.0 36.2 9.6 40.6 37 37 A T E -G 54 0B 0 17,-2.5 17,-3.0 90,-0.1 2,-0.4 -0.981 2.8-162.6-123.8 129.1 39.6 10.9 41.7 38 38 A V E -GH 53 126B 19 88,-2.9 88,-2.5 -2,-0.4 2,-0.4 -0.886 13.5-174.9-118.4 143.2 42.2 12.2 39.4 39 39 A F E -GH 52 125B 0 13,-1.7 13,-2.4 -2,-0.4 2,-0.4 -0.999 13.4-170.2-131.5 128.7 45.9 12.9 39.6 40 40 A N E -GH 51 124B 14 84,-2.2 84,-2.9 -2,-0.4 2,-0.6 -0.962 18.3-148.2-123.5 140.7 47.7 14.7 36.7 41 41 A F E -GH 50 123B 0 9,-2.4 8,-1.7 -2,-0.4 9,-1.3 -0.945 30.0-162.8-105.4 118.5 51.4 15.2 36.1 42 42 A L E -GH 48 122B 18 80,-2.9 79,-3.0 -2,-0.6 80,-1.8 -0.786 14.0-135.7-109.1 149.5 51.8 18.5 34.2 43 43 A S > - 0 0 5 4,-1.9 3,-2.1 -2,-0.3 77,-0.2 -0.385 40.1 -98.0 -88.6 173.1 54.5 20.0 32.1 44 44 A A T 3 S+ 0 0 88 75,-0.4 -1,-0.1 1,-0.3 76,-0.1 0.859 129.4 53.2 -61.1 -34.4 55.6 23.7 32.5 45 45 A G T 3 S- 0 0 39 2,-0.0 -1,-0.3 1,-0.0 23,-0.2 0.293 122.8-110.8 -83.3 9.8 53.4 24.4 29.5 46 46 A E < + 0 0 105 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.782 63.5 153.7 67.1 30.5 50.5 22.7 31.3 47 47 A N - 0 0 24 20,-0.1 -4,-1.9 21,-0.1 2,-1.2 -0.682 50.7-119.8 -85.0 144.8 50.3 19.6 29.0 48 48 A I E +GI 42 66B 12 18,-2.7 18,-1.9 -2,-0.3 -6,-0.2 -0.748 36.7 174.4 -90.3 97.0 48.9 16.6 30.8 49 49 A L E S+ 0 0 3 -8,-1.7 2,-0.4 -2,-1.2 66,-0.4 0.874 72.7 15.4 -69.0 -41.3 51.8 14.1 30.5 50 50 A L E -G 41 0B 0 -9,-1.3 -9,-2.4 -3,-0.2 2,-0.5 -0.960 67.0-171.3-142.3 120.1 50.1 11.5 32.7 51 51 A H E -GI 40 64B 21 13,-2.4 13,-1.4 -2,-0.4 2,-0.6 -0.950 2.0-170.5-112.5 123.9 46.5 11.4 33.6 52 52 A I E -GI 39 63B 0 -13,-2.4 -13,-1.7 -2,-0.5 2,-0.7 -0.933 3.1-173.2-119.6 105.9 45.3 8.9 36.2 53 53 A S E -GI 38 62B 5 9,-3.3 9,-3.0 -2,-0.6 2,-0.8 -0.865 5.7-163.6-104.4 104.4 41.5 8.7 36.5 54 54 A I E -GI 37 61B 0 -17,-3.0 -17,-2.5 -2,-0.7 7,-0.2 -0.783 10.6-179.8 -90.7 111.2 40.4 6.4 39.4 55 55 A R E > + I 0 60B 44 5,-2.8 5,-2.3 -2,-0.8 4,-0.3 -0.845 14.4 175.3-117.9 96.1 36.8 5.5 39.0 56 56 A P T > 5S+ 0 0 31 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.871 83.0 55.6 -65.5 -35.7 35.3 3.3 41.7 57 57 A G T 3 5S+ 0 0 82 1,-0.2 -2,-0.0 2,-0.1 -22,-0.0 0.802 114.4 37.9 -67.2 -30.0 31.8 3.5 40.2 58 58 A E T 3 5S- 0 0 100 -3,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.355 108.5-127.9 -99.5 2.2 33.0 2.2 36.8 59 59 A N T < 5S+ 0 0 78 -3,-0.6 21,-1.0 -4,-0.3 2,-0.3 0.895 71.4 105.1 50.0 47.8 35.4 -0.2 38.5 60 60 A V E < -IJ 55 79B 11 -5,-2.3 -5,-2.8 19,-0.3 2,-0.5 -0.994 60.9-144.8-153.7 156.4 38.3 1.1 36.5 61 61 A I E -IJ 54 78B 0 17,-2.5 17,-1.2 -2,-0.3 2,-0.4 -0.995 26.1-155.3-122.1 124.4 41.4 3.2 36.5 62 62 A V E -IJ 53 77B 0 -9,-3.0 -9,-3.3 -2,-0.5 2,-0.4 -0.868 8.6-165.4-111.1 137.3 42.1 5.1 33.3 63 63 A F E +IJ 52 76B 1 13,-2.7 13,-1.8 -2,-0.4 2,-0.3 -0.938 26.8 132.5-116.8 138.6 45.5 6.4 32.0 64 64 A N E -I 51 0B 3 -13,-1.4 -13,-2.4 -2,-0.4 2,-0.3 -0.931 33.8-139.0-164.6-176.9 45.9 8.9 29.2 65 65 A S E + 0 0 4 -2,-0.3 8,-1.2 -15,-0.2 2,-0.3 -0.949 16.3 174.6-150.4 164.2 47.6 12.1 28.1 66 66 A R E -I 48 0B 72 -18,-1.9 -18,-2.7 -2,-0.3 6,-0.1 -0.894 33.1-104.9-174.0 145.7 46.7 15.3 26.2 67 67 A L > - 0 0 95 4,-0.4 3,-2.6 -2,-0.3 -20,-0.1 -0.365 49.7 -95.8 -71.1 155.8 48.1 18.7 25.2 68 68 A K T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -23,-0.2 -21,-0.1 0.849 123.7 15.8 -39.2 -53.3 46.9 21.7 27.1 69 69 A N T 3 S+ 0 0 151 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.172 114.6 98.1-118.4 40.4 44.3 22.6 24.5 70 70 A G S < S- 0 0 33 -3,-2.6 2,-0.3 1,-0.0 -4,-0.0 -0.485 73.9 -89.0-114.8-173.7 44.3 19.3 22.7 71 71 A A - 0 0 89 -2,-0.2 -4,-0.4 1,-0.1 -6,-0.1 -0.696 42.8 -96.6-101.6 153.2 42.2 16.1 22.8 72 72 A W - 0 0 116 -2,-0.3 -6,-0.2 -6,-0.1 -1,-0.1 -0.239 39.0-138.7 -59.7 151.3 42.5 13.0 24.9 73 73 A G - 0 0 31 -8,-1.2 2,-0.1 1,-0.2 -1,-0.1 -0.138 46.6 -49.0 -96.7-161.7 44.4 10.1 23.2 74 74 A P - 0 0 97 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.468 65.8-116.0 -72.1 144.8 43.5 6.4 23.4 75 75 A E - 0 0 90 -2,-0.1 2,-0.5 -11,-0.1 -11,-0.2 -0.483 17.2-156.9 -85.2 152.0 42.8 5.1 26.9 76 76 A E E -J 63 0B 67 -13,-1.8 -13,-2.7 -2,-0.2 2,-0.3 -0.999 25.3-169.5-125.6 121.6 44.8 2.4 28.8 77 77 A R E +J 62 0B 113 -2,-0.5 -15,-0.2 -15,-0.2 -17,-0.0 -0.796 22.0 175.6-120.9 160.7 42.7 0.7 31.5 78 78 A I E -J 61 0B 32 -17,-1.2 -17,-2.5 -2,-0.3 -2,-0.0 -0.970 43.8 -89.6-153.6 147.4 43.0 -1.7 34.4 79 79 A P E -J 60 0B 76 0, 0.0 -19,-0.3 0, 0.0 -20,-0.1 -0.288 24.6-146.8 -61.2 147.5 40.3 -2.8 36.9 80 80 A Y > + 0 0 31 -21,-1.0 3,-0.6 -25,-0.2 4,-0.4 0.854 63.8 108.4 -81.2 -40.2 39.9 -0.7 40.1 81 81 A A T 3 S+ 0 0 42 -22,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.032 87.5 1.2 -44.8 137.2 39.0 -3.6 42.4 82 82 A E T 3 S+ 0 0 167 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.878 95.3 109.6 46.6 55.1 41.6 -4.6 45.0 83 83 A K < + 0 0 30 -3,-0.6 23,-2.0 1,-0.2 22,-1.5 0.639 66.7 59.6-118.1 -38.9 44.3 -2.0 44.2 84 84 A F - 0 0 15 -4,-0.4 -1,-0.2 21,-0.2 -2,-0.1 -0.735 65.6-151.1-101.3 144.1 44.0 0.2 47.2 85 85 A R > - 0 0 128 -2,-0.3 3,-0.5 3,-0.1 0, 0.0 -0.933 33.0-109.8-114.2 111.8 44.6 -0.8 50.9 86 86 A P T 3 S+ 0 0 72 0, 0.0 -57,-0.0 0, 0.0 -55,-0.0 -0.351 85.1 26.1 -73.9 162.7 42.7 1.2 53.5 87 87 A P T 3 S+ 0 0 90 0, 0.0 -56,-0.0 0, 0.0 -2,-0.0 -0.979 133.9 23.8 -91.7 1.5 43.1 3.2 55.7 88 88 A N S < S- 0 0 97 -3,-0.5 -60,-0.1 -60,-0.1 -3,-0.1 -0.616 77.3-177.4-125.4 71.7 46.2 4.7 54.1 89 89 A P - 0 0 1 0, 0.0 -62,-2.6 0, 0.0 2,-0.3 -0.300 8.1-161.7 -68.5 155.9 46.1 3.9 50.4 90 90 A S E -B 26 0A 25 -64,-0.2 2,-0.4 2,-0.0 15,-0.3 -0.939 19.4-157.7-140.3 162.1 49.1 5.0 48.2 91 91 A I E -B 25 0A 3 -66,-2.5 -66,-3.2 -2,-0.3 2,-0.5 -0.989 12.6-166.7-139.1 123.6 50.1 5.6 44.6 92 92 A T E -BD 24 103A 29 11,-3.0 11,-3.0 -2,-0.4 2,-0.4 -0.963 2.9-171.5-118.3 129.4 53.7 5.5 43.4 93 93 A V E -BD 23 102A 0 -70,-2.6 -70,-3.0 -2,-0.5 2,-0.4 -0.970 0.9-172.3-121.4 131.0 54.9 6.8 40.1 94 94 A I E -BD 22 101A 14 7,-2.6 7,-2.4 -2,-0.4 2,-0.7 -0.985 19.3-138.1-126.2 131.8 58.4 6.3 38.7 95 95 A D E + D 0 100A 2 -74,-2.3 -75,-3.1 -2,-0.4 5,-0.2 -0.794 20.8 177.6 -89.6 112.6 59.8 7.9 35.5 96 96 A H - 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