==== 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 1ULC . 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) . 14133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 65.7 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 . 126 42.0 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 . 43 14.3 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 . 0 0.0 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 6 6 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 0 104 0, 0.0 139,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 125.9 11.4 -3.5 114.1 2 2 A L E +A 139 0A 86 137,-0.2 2,-0.3 135,-0.0 137,-0.2 -0.664 360.0 177.5 -92.3 144.3 15.1 -3.5 114.9 3 3 A Y E -A 138 0A 30 135,-1.9 135,-2.6 -2,-0.3 2,-0.6 -0.979 25.8-144.1-140.8 151.9 17.8 -4.9 112.7 4 4 A H E -A 137 0A 98 -2,-0.3 2,-0.8 133,-0.2 133,-0.2 -0.909 21.4-163.3-119.4 96.9 21.6 -5.1 112.9 5 5 A L E -A 136 0A 0 131,-1.9 131,-1.9 -2,-0.6 2,-0.2 -0.760 8.6-155.6 -86.8 107.8 22.8 -4.8 109.3 6 6 A F > - 0 0 103 -2,-0.8 3,-0.7 129,-0.3 119,-0.3 -0.495 27.5 -91.7 -83.3 153.8 26.4 -5.9 109.1 7 7 A V T 3 S+ 0 0 39 1,-0.2 119,-0.2 -2,-0.2 3,-0.1 -0.342 109.5 15.2 -66.3 144.3 28.8 -4.8 106.4 8 8 A N T 3 S+ 0 0 96 117,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.913 122.5 70.2 56.2 46.5 29.0 -7.0 103.3 9 9 A N E < -F 125 0B 92 116,-1.4 116,-2.3 -3,-0.7 -1,-0.3 -0.877 69.0-138.0-165.0-169.9 25.8 -8.7 104.3 10 10 A Q E -F 124 0B 84 -2,-0.3 2,-0.4 114,-0.2 114,-0.2 -0.928 10.2-121.0-155.4 176.5 22.1 -7.9 104.5 11 11 A V E -F 123 0B 19 112,-1.9 112,-1.9 -2,-0.3 2,-0.6 -0.999 21.4-133.7-132.3 130.3 19.0 -8.2 106.6 12 12 A K E -F 122 0B 178 -2,-0.4 110,-0.2 110,-0.2 2,-0.1 -0.747 30.5-123.9 -84.5 118.6 15.7 -9.9 105.4 13 13 A L E - 0 0 11 108,-2.2 3,-0.1 -2,-0.6 -1,-0.0 -0.383 2.3-141.6 -67.0 137.4 12.8 -7.7 106.4 14 14 A Q E S+ 0 0 137 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.862 92.2 22.1 -63.4 -37.6 10.0 -9.2 108.4 15 15 A N E S- 0 0 116 3,-0.0 -1,-0.1 105,-0.0 2,-0.1 -0.936 100.8 -88.4-130.4 153.8 7.6 -7.2 106.3 16 16 A D E - 0 0 86 -2,-0.3 2,-0.8 1,-0.1 105,-0.2 -0.354 36.6-124.2 -62.5 134.5 7.8 -5.7 102.9 17 17 A F E +F 120 0B 1 103,-2.7 103,-2.1 -2,-0.1 -1,-0.1 -0.745 56.8 148.0 -80.1 112.5 9.2 -2.2 102.8 18 18 A K > - 0 0 96 -2,-0.8 3,-2.3 101,-0.2 77,-0.3 -0.635 49.5 -33.1-134.7-169.8 6.4 -0.4 101.0 19 19 A P T 3 S+ 0 0 48 0, 0.0 77,-0.2 0, 0.0 -1,-0.2 -0.276 128.5 20.7 -54.4 135.7 4.6 2.9 100.8 20 20 A E T 3 S+ 0 0 25 75,-3.0 124,-0.2 1,-0.3 76,-0.1 0.098 95.4 132.7 90.9 -17.4 4.5 4.7 104.2 21 21 A S < - 0 0 4 -3,-2.3 74,-2.3 122,-0.1 2,-0.4 -0.374 39.9-160.3 -68.6 141.5 7.5 2.6 105.4 22 22 A V E -BC 94 141A 1 119,-1.6 119,-3.7 72,-0.2 2,-0.5 -0.984 6.7-164.4-127.3 132.0 10.4 4.3 107.1 23 23 A A E -BC 93 140A 0 70,-2.8 70,-2.4 -2,-0.4 2,-0.7 -0.976 4.9-163.1-117.6 122.1 13.9 2.9 107.5 24 24 A A E -BC 92 139A 13 115,-1.8 115,-1.9 -2,-0.5 2,-0.5 -0.880 7.9-170.9-109.6 101.9 16.1 4.6 110.1 25 25 A I E +BC 91 138A 4 66,-3.1 66,-2.5 -2,-0.7 2,-0.4 -0.811 8.2 175.8 -96.2 125.5 19.8 3.7 109.6 26 26 A R E -BC 90 137A 122 111,-2.6 111,-2.9 -2,-0.5 2,-0.3 -0.994 16.5-151.7-133.9 132.1 22.2 4.8 112.3 27 27 A S - 0 0 7 62,-2.6 109,-0.1 -2,-0.4 3,-0.0 -0.742 13.0-145.3 -99.8 149.1 26.0 4.1 112.6 28 28 A S S S+ 0 0 90 107,-0.4 2,-0.3 -2,-0.3 60,-0.1 0.281 83.5 21.9 -94.8 11.8 27.8 4.0 116.0 29 29 A A - 0 0 30 60,-0.2 104,-0.4 2,-0.0 2,-0.4 -0.980 63.2-136.6-164.2 168.9 30.8 5.5 114.4 30 30 A F - 0 0 55 -2,-0.3 2,-1.3 102,-0.2 102,-0.2 -0.898 10.6-163.2-139.3 106.8 32.2 7.6 111.6 31 31 A N > - 0 0 71 100,-2.0 3,-3.4 -2,-0.4 101,-0.0 -0.690 5.9-169.0 -92.9 84.8 35.4 6.5 109.9 32 32 A S T 3 S+ 0 0 85 -2,-1.3 -1,-0.2 1,-0.3 99,-0.1 0.703 85.1 52.3 -45.2 -28.1 36.4 9.7 108.1 33 33 A K T 3 S+ 0 0 194 -3,-0.1 -1,-0.3 97,-0.1 98,-0.1 0.418 86.0 118.3 -92.0 0.4 39.1 7.8 106.1 34 34 A G < - 0 0 7 -3,-3.4 96,-0.2 97,-0.1 97,-0.2 -0.113 55.4-133.0 -63.1 166.2 36.7 5.1 104.9 35 35 A G - 0 0 24 94,-2.8 96,-0.2 1,-0.2 -1,-0.1 -0.146 52.8 -24.2-104.7-160.1 36.0 4.5 101.3 36 36 A T - 0 0 66 19,-0.1 92,-0.5 94,-0.1 2,-0.4 -0.252 60.5-165.5 -54.2 127.8 32.9 4.0 99.1 37 37 A T E -GH 54 127B 0 17,-2.1 17,-2.8 90,-0.1 2,-0.4 -0.978 2.4-160.8-122.8 128.6 30.0 2.7 101.2 38 38 A V E -GH 53 126B 20 88,-3.9 88,-2.5 -2,-0.4 2,-0.4 -0.863 13.5-174.5-117.4 144.8 26.9 1.2 99.6 39 39 A F E -GH 52 125B 1 13,-1.9 13,-1.9 -2,-0.4 2,-0.4 -0.982 12.6-170.1-134.7 119.6 23.4 0.5 100.8 40 40 A N E -GH 51 124B 15 84,-1.3 84,-3.1 -2,-0.4 2,-0.7 -0.911 18.4-151.0-115.1 140.0 20.9 -1.4 98.5 41 41 A F E -GH 50 123B 0 9,-2.3 8,-1.7 -2,-0.4 9,-1.3 -0.939 29.8-166.1-105.9 109.0 17.2 -1.9 99.0 42 42 A L E -GH 48 122B 21 80,-2.7 79,-3.2 -2,-0.7 80,-2.0 -0.725 13.3-133.5-101.6 148.0 16.5 -5.2 97.2 43 43 A S > - 0 0 7 4,-2.2 3,-2.4 -2,-0.3 77,-0.2 -0.351 39.2 -95.7 -87.5 174.2 13.2 -6.8 96.1 44 44 A A T 3 S+ 0 0 91 75,-0.5 -1,-0.1 1,-0.3 76,-0.1 0.825 130.2 54.3 -60.4 -27.8 12.3 -10.4 96.8 45 45 A G T 3 S- 0 0 43 2,-0.1 -1,-0.3 1,-0.0 23,-0.2 0.317 121.6-110.8 -87.7 8.0 13.6 -11.1 93.3 46 46 A E < + 0 0 102 -3,-2.4 2,-0.3 1,-0.2 -2,-0.1 0.780 66.5 149.8 68.6 28.4 16.9 -9.4 94.2 47 47 A N - 0 0 22 20,-0.1 -4,-2.2 21,-0.1 2,-1.1 -0.661 52.6-120.0 -86.8 149.4 16.4 -6.4 91.9 48 48 A I E +GI 42 66B 15 18,-2.9 18,-1.9 -2,-0.3 -6,-0.2 -0.785 36.5 172.8 -97.0 96.6 18.0 -3.3 93.2 49 49 A L E S+ 0 0 4 -8,-1.7 2,-0.4 -2,-1.1 66,-0.4 0.854 73.9 18.0 -69.8 -40.2 15.2 -0.9 93.7 50 50 A L E -G 41 0B 0 -9,-1.3 -9,-2.3 -3,-0.2 2,-0.5 -0.950 68.4-172.7-140.2 116.5 17.3 1.8 95.4 51 51 A H E -GI 40 64B 19 13,-2.7 13,-1.7 -2,-0.4 2,-0.5 -0.940 2.0-171.1-111.0 125.6 21.1 2.0 95.2 52 52 A I E -GI 39 63B 0 -13,-1.9 -13,-1.9 -2,-0.5 2,-0.7 -0.972 0.7-173.1-119.4 115.8 22.9 4.5 97.3 53 53 A S E -GI 38 62B 5 9,-3.0 9,-3.2 -2,-0.5 2,-0.9 -0.923 6.7-162.5-113.5 106.5 26.6 4.8 96.6 54 54 A I E -GI 37 61B 0 -17,-2.8 -17,-2.1 -2,-0.7 7,-0.2 -0.795 11.0-177.0 -91.0 104.3 28.4 7.1 99.1 55 55 A R E > > + I 0 60B 41 5,-2.6 5,-2.4 -2,-0.9 3,-0.9 -0.829 13.0 173.0-108.4 97.1 31.7 8.1 97.5 56 56 A P G > 5S+ 0 0 24 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.970 80.0 53.4 -66.0 -50.6 33.8 10.2 99.8 57 57 A G G 3 5S+ 0 0 85 1,-0.3 -22,-0.0 -23,-0.1 -2,-0.0 0.404 116.2 39.3 -67.1 5.8 36.9 10.3 97.6 58 58 A E G < 5S- 0 0 109 -3,-0.9 -1,-0.3 2,-0.2 3,-0.1 0.243 108.1-128.0-130.8 0.1 34.9 11.5 94.6 59 59 A N T < 5S+ 0 0 78 -3,-2.0 21,-0.8 -4,-0.2 2,-0.3 0.895 71.0 102.6 46.8 53.4 32.8 13.8 96.9 60 60 A V E < -IJ 55 79B 12 -5,-2.4 -5,-2.6 19,-0.3 2,-0.5 -0.994 60.9-143.6-158.9 151.7 29.5 12.5 95.6 61 61 A I E -IJ 54 78B 0 17,-2.6 17,-1.0 -2,-0.3 2,-0.4 -0.989 26.0-153.8-118.2 125.2 26.6 10.2 96.6 62 62 A V E -IJ 53 77B 1 -9,-3.2 -9,-3.0 -2,-0.5 2,-0.4 -0.884 7.1-162.7-108.9 134.1 25.1 8.3 93.7 63 63 A F E +IJ 52 76B 0 13,-3.1 13,-2.3 -2,-0.4 2,-0.3 -0.929 26.7 137.8-114.0 134.6 21.6 7.0 93.4 64 64 A N E -I 51 0B 2 -13,-1.7 -13,-2.7 -2,-0.4 2,-0.3 -0.947 31.8-144.1-160.3 177.6 20.6 4.3 90.9 65 65 A S E + 0 0 5 -2,-0.3 8,-1.1 -15,-0.2 2,-0.3 -0.940 16.9 167.6-146.2 162.6 18.6 1.2 90.2 66 66 A R E -I 48 0B 70 -18,-1.9 -18,-2.9 -2,-0.3 6,-0.1 -0.886 35.1-103.9-176.1 148.6 19.0 -2.0 88.2 67 67 A L > - 0 0 91 4,-0.4 3,-3.1 -2,-0.3 -20,-0.1 -0.435 50.5 -91.7 -77.0 154.6 17.4 -5.5 87.8 68 68 A K T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -23,-0.2 -21,-0.1 0.792 126.3 15.3 -32.0 -49.3 19.1 -8.5 89.2 69 69 A N T 3 S+ 0 0 148 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.089 110.8 101.5-122.5 34.7 20.9 -9.1 85.9 70 70 A G S < S- 0 0 31 -3,-3.1 2,-0.1 1,-0.1 0, 0.0 -0.553 72.0 -94.4-111.9 178.2 20.3 -5.8 84.2 71 71 A A - 0 0 88 -2,-0.2 -4,-0.4 1,-0.1 -1,-0.1 -0.473 44.1 -95.2 -89.8 163.1 22.4 -2.7 83.5 72 72 A W - 0 0 118 -2,-0.1 -6,-0.2 -6,-0.1 -1,-0.1 -0.357 37.1-139.8 -71.2 156.6 22.5 0.4 85.6 73 73 A G - 0 0 34 -8,-1.1 2,-0.2 1,-0.2 -1,-0.1 -0.108 49.0 -45.4-100.2-158.1 20.2 3.3 84.6 74 74 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.517 64.4-117.3 -75.2 143.9 21.1 7.0 84.7 75 75 A E - 0 0 85 -2,-0.2 2,-0.6 -11,-0.1 -11,-0.2 -0.602 16.7-156.8 -83.5 138.8 22.8 8.2 87.9 76 76 A E E -J 63 0B 65 -13,-2.3 -13,-3.1 -2,-0.3 2,-0.2 -0.973 27.3-174.5-112.6 115.8 21.3 10.8 90.1 77 77 A R E +J 62 0B 118 -2,-0.6 -15,-0.2 -15,-0.2 -17,-0.0 -0.638 19.3 177.9-113.5 169.2 24.1 12.5 92.1 78 78 A I E -J 61 0B 37 -17,-1.0 -17,-2.6 -2,-0.2 2,-0.1 -0.962 43.1 -80.2-162.7 154.4 24.7 15.0 94.9 79 79 A P E -J 60 0B 79 0, 0.0 -19,-0.3 0, 0.0 -20,-0.1 -0.350 29.0-153.2 -62.5 135.8 27.7 16.5 96.8 80 80 A Y + 0 0 33 -21,-0.8 3,-0.5 -25,-0.2 4,-0.4 0.839 61.5 104.8 -77.3 -37.9 29.0 14.2 99.5 81 81 A A S S+ 0 0 43 -22,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.096 87.9 3.3 -50.5 142.0 30.5 17.0 101.7 82 82 A E S S+ 0 0 168 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.891 95.4 108.0 43.0 60.6 28.7 18.0 104.9 83 83 A K + 0 0 24 -3,-0.5 23,-2.4 1,-0.2 22,-1.2 0.584 67.6 58.4-123.7 -41.6 25.9 15.4 104.8 84 84 A F - 0 0 14 -4,-0.4 -1,-0.2 21,-0.2 -2,-0.1 -0.742 67.3-151.0-100.2 144.1 27.0 13.1 107.6 85 85 A R - 0 0 123 -2,-0.3 3,-0.5 5,-0.1 0, 0.0 -0.927 30.1-108.1-117.7 110.1 27.5 14.1 111.2 86 86 A P S S+ 0 0 73 0, 0.0 -58,-0.0 0, 0.0 -57,-0.0 -0.323 86.7 24.4 -70.5 159.7 30.0 12.2 113.4 87 87 A P S S+ 0 0 91 0, 0.0 -56,-0.0 0, 0.0 -2,-0.0 -0.992 135.2 23.4 -90.3 -3.8 30.1 10.3 115.6 88 88 A N S S- 0 0 89 -3,-0.5 -60,-0.1 -60,-0.1 -58,-0.1 -0.561 77.0-179.5-120.7 67.3 26.6 8.8 114.9 89 89 A P - 0 0 1 0, 0.0 -62,-2.6 0, 0.0 2,-0.3 -0.260 10.1-165.3 -64.1 154.6 25.9 9.6 111.2 90 90 A S E -B 26 0A 26 -64,-0.2 2,-0.4 2,-0.0 15,-0.3 -0.954 22.4-157.6-144.8 161.4 22.5 8.4 109.9 91 91 A I E -B 25 0A 2 -66,-2.5 -66,-3.1 -2,-0.3 2,-0.5 -0.996 12.3-164.7-136.8 133.6 20.5 7.8 106.7 92 92 A T E -BD 24 103A 26 11,-2.2 11,-2.4 -2,-0.4 2,-0.5 -0.984 2.5-166.8-125.7 123.4 16.7 7.7 106.7 93 93 A V E -BD 23 102A 0 -70,-2.4 -70,-2.8 -2,-0.5 2,-0.4 -0.937 4.7-174.8-113.4 127.8 14.7 6.3 103.8 94 94 A I E -BD 22 101A 14 7,-2.5 7,-2.3 -2,-0.5 2,-0.8 -0.982 19.6-140.6-124.8 129.9 11.0 6.8 103.4 95 95 A D E + D 0 100A 2 -74,-2.3 -75,-3.0 -2,-0.4 5,-0.2 -0.779 18.7 179.0 -88.7 109.5 8.8 5.2 100.7 96 96 A H - 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