==== 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 1ULD . 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 . 600 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 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 . 254 42.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 79 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 . 3 0 0 16 13 11 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 8 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 0 108 0, 0.0 139,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.4 18.4 47.6 33.2 2 2 A L E +A 139 0A 87 137,-0.2 2,-0.3 135,-0.0 137,-0.2 -0.771 360.0 176.8 -97.7 136.0 17.3 50.6 35.3 3 3 A Y E -A 138 0A 26 135,-2.6 135,-2.5 -2,-0.4 2,-0.6 -0.950 26.3-140.5-134.0 153.4 13.8 51.2 36.4 4 4 A H E -A 137 0A 100 -2,-0.3 2,-0.7 133,-0.2 133,-0.2 -0.942 22.0-163.5-116.2 105.4 12.1 53.8 38.7 5 5 A L E -A 136 0A 0 131,-2.0 131,-1.9 -2,-0.6 2,-0.2 -0.818 6.4-153.9 -95.7 110.4 9.5 52.0 40.7 6 6 A F > - 0 0 105 -2,-0.7 3,-1.0 129,-0.2 119,-0.3 -0.521 29.2 -92.1 -84.1 151.3 7.0 54.4 42.3 7 7 A V T 3 S+ 0 0 39 1,-0.3 119,-0.2 -2,-0.2 3,-0.1 -0.298 111.0 14.9 -63.0 141.8 5.0 53.6 45.4 8 8 A N T 3 S+ 0 0 89 117,-1.9 -1,-0.3 1,-0.3 2,-0.2 0.850 121.6 77.7 59.6 36.6 1.6 52.0 44.9 9 9 A N E < -F 125 0B 92 116,-1.3 116,-2.7 -3,-1.0 2,-0.3 -0.743 66.7-141.6-149.6-165.8 2.7 51.3 41.3 10 10 A Q E -F 124 0B 90 114,-0.3 2,-0.4 -2,-0.2 114,-0.2 -0.957 10.8-122.8-159.1 172.5 4.9 48.8 39.4 11 11 A V E -F 123 0B 17 112,-2.1 112,-1.6 -2,-0.3 2,-0.6 -0.996 19.1-133.7-129.0 133.3 7.3 48.5 36.6 12 12 A K E -F 122 0B 123 -2,-0.4 110,-0.2 110,-0.2 2,-0.1 -0.775 32.0-126.0 -84.0 121.6 6.9 46.2 33.6 13 13 A L E - 0 0 3 108,-2.5 3,-0.1 -2,-0.6 -1,-0.0 -0.436 2.3-136.0 -72.2 142.2 10.2 44.4 33.1 14 14 A Q E S+ 0 0 121 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.866 94.6 10.7 -61.5 -39.9 11.9 44.6 29.6 15 15 A N E S- 0 0 124 105,-0.0 -1,-0.1 3,-0.0 2,-0.1 -0.922 103.8 -82.5-135.0 155.8 12.7 40.9 29.9 16 16 A D E - 0 0 64 -2,-0.3 2,-0.8 1,-0.1 105,-0.2 -0.343 35.2-120.2 -69.0 141.8 11.4 38.4 32.4 17 17 A F E +F 120 0B 2 103,-2.7 103,-2.0 -2,-0.1 -1,-0.1 -0.718 59.0 144.5 -78.1 112.7 13.1 38.1 35.8 18 18 A K > - 0 0 86 -2,-0.8 3,-3.0 101,-0.2 77,-0.3 -0.756 49.8 -25.8-140.9-174.6 14.2 34.5 35.8 19 19 A P T 3 S+ 0 0 59 0, 0.0 77,-0.2 0, 0.0 -1,-0.2 -0.073 129.8 16.8 -42.5 131.6 17.0 32.1 36.9 20 20 A E T 3 S+ 0 0 34 75,-3.1 124,-0.2 1,-0.3 76,-0.1 0.061 95.1 134.9 89.2 -19.8 20.3 34.0 37.3 21 21 A S < - 0 0 2 -3,-3.0 74,-2.4 122,-0.1 2,-0.4 -0.267 38.3-161.4 -62.6 145.2 18.5 37.4 37.4 22 22 A V E -BC 94 141A 1 119,-2.1 119,-3.4 72,-0.2 2,-0.5 -0.996 5.3-166.3-131.5 125.8 19.4 39.9 40.0 23 23 A A E -BC 93 140A 0 70,-3.0 70,-2.6 -2,-0.4 2,-0.7 -0.961 3.0-165.2-116.6 117.5 17.3 42.8 41.1 24 24 A A E -BC 92 139A 11 115,-3.3 115,-2.4 -2,-0.5 2,-0.5 -0.902 7.2-169.1-104.9 108.7 19.0 45.5 43.2 25 25 A I E -BC 91 138A 4 66,-3.3 66,-2.7 -2,-0.7 2,-0.4 -0.865 7.4-178.0-100.0 125.3 16.4 47.8 44.8 26 26 A R E -BC 90 137A 123 111,-3.3 111,-3.0 -2,-0.5 2,-0.3 -0.982 14.7-150.2-131.9 132.2 17.7 51.0 46.4 27 27 A S - 0 0 6 62,-2.6 109,-0.1 -2,-0.4 3,-0.0 -0.741 11.2-150.1 -97.6 144.2 15.9 53.7 48.4 28 28 A S S S+ 0 0 87 107,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.489 84.2 24.6 -86.7 -4.1 17.0 57.4 48.4 29 29 A A - 0 0 30 60,-0.1 104,-0.5 57,-0.0 2,-0.4 -0.961 61.9-142.5-152.9 167.9 15.5 57.6 51.9 30 30 A F B -K 132 0C 55 -2,-0.3 2,-1.1 102,-0.2 102,-0.2 -0.938 11.1-160.6-138.2 112.4 14.5 55.8 55.0 31 31 A N > - 0 0 70 100,-2.9 3,-3.0 -2,-0.4 101,-0.0 -0.763 3.8-168.9 -97.4 91.1 11.4 57.0 56.8 32 32 A S T 3 S+ 0 0 85 -2,-1.1 -1,-0.2 1,-0.3 99,-0.1 0.761 88.0 52.6 -49.1 -31.2 11.8 55.5 60.3 33 33 A K T 3 S+ 0 0 193 -3,-0.1 -1,-0.3 97,-0.1 98,-0.1 0.201 87.9 120.8 -92.5 16.0 8.2 56.4 61.1 34 34 A G < - 0 0 8 -3,-3.0 96,-0.2 1,-0.1 97,-0.2 -0.293 53.5-134.7 -76.5 164.3 6.9 54.6 58.0 35 35 A G - 0 0 27 94,-3.3 96,-0.2 1,-0.2 2,-0.1 -0.059 51.3 -29.6-101.2-155.9 4.5 51.7 58.0 36 36 A T - 0 0 72 19,-0.1 92,-0.5 94,-0.1 2,-0.4 -0.379 61.9-166.1 -61.2 127.5 4.2 48.3 56.4 37 37 A T E -GH 54 127B 0 17,-2.4 17,-3.1 90,-0.1 2,-0.4 -0.975 1.5-161.6-124.2 133.8 5.9 48.4 53.0 38 38 A V E -GH 53 126B 17 88,-3.0 88,-2.6 -2,-0.4 2,-0.4 -0.907 15.3-173.9-123.5 145.2 5.5 45.7 50.3 39 39 A F E -GH 52 125B 0 13,-1.6 13,-2.0 -2,-0.4 2,-0.4 -1.000 14.1-170.1-129.9 127.8 7.3 44.6 47.1 40 40 A N E -GH 51 124B 14 84,-2.1 84,-3.2 -2,-0.4 2,-0.7 -0.980 17.4-148.6-124.1 132.5 5.8 41.9 44.9 41 41 A F E -GH 50 123B 0 9,-2.5 8,-1.8 -2,-0.4 9,-1.2 -0.894 29.7-165.2 -97.2 116.7 7.4 40.1 42.0 42 42 A L E -GH 48 122B 18 80,-2.8 79,-2.9 -2,-0.7 80,-2.2 -0.826 14.4-136.7-110.2 145.7 4.5 39.4 39.6 43 43 A S > - 0 0 4 4,-1.7 3,-2.2 -2,-0.3 77,-0.2 -0.325 41.9 -94.4 -85.9 174.6 4.2 37.0 36.6 44 44 A A T 3 S+ 0 0 86 75,-0.5 -1,-0.1 1,-0.3 76,-0.1 0.857 130.5 53.6 -58.7 -34.7 2.5 38.0 33.4 45 45 A G T 3 S- 0 0 39 2,-0.0 -1,-0.3 1,-0.0 23,-0.2 0.292 121.7-110.9 -84.0 10.7 -0.7 36.5 34.7 46 46 A E < + 0 0 103 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.720 63.0 155.1 68.2 23.8 -0.3 38.6 37.9 47 47 A N - 0 0 24 20,-0.1 -4,-1.7 1,-0.1 2,-1.3 -0.614 49.5-120.6 -79.7 143.5 0.5 35.8 40.2 48 48 A I E +GI 42 66B 12 18,-2.7 18,-2.0 -2,-0.3 -6,-0.2 -0.715 37.7 171.8 -88.8 95.4 2.4 36.9 43.2 49 49 A L E S+ 0 0 4 -8,-1.8 2,-0.4 -2,-1.3 66,-0.4 0.841 73.0 16.1 -70.6 -38.5 5.6 34.8 42.9 50 50 A L E -G 41 0B 0 -9,-1.2 -9,-2.5 -3,-0.2 2,-0.5 -0.943 67.5-172.3-144.8 118.6 7.4 36.6 45.8 51 51 A H E -GI 40 64B 21 13,-2.5 13,-1.4 -2,-0.4 2,-0.5 -0.942 1.9-171.3-111.4 128.0 5.7 38.8 48.3 52 52 A I E -GI 39 63B 0 -13,-2.0 -13,-1.6 -2,-0.5 2,-0.7 -0.937 2.0-173.4-124.9 106.2 7.9 40.8 50.7 53 53 A S E -GI 38 62B 4 9,-3.4 9,-3.0 -2,-0.5 2,-0.8 -0.878 7.3-161.5-104.8 106.7 6.0 42.5 53.5 54 54 A I E -GI 37 61B 0 -17,-3.1 -17,-2.4 -2,-0.7 7,-0.2 -0.794 11.5-177.6 -90.6 112.3 8.2 44.7 55.6 55 55 A R E >> + I 0 60B 50 5,-3.1 5,-2.4 -2,-0.8 4,-0.8 -0.805 14.9 172.9-117.8 91.5 6.5 45.3 58.9 56 56 A P T >45S+ 0 0 30 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.918 82.5 54.9 -62.1 -43.1 8.3 47.7 61.3 57 57 A G T 345S+ 0 0 84 1,-0.3 -2,-0.1 2,-0.1 -22,-0.0 0.772 116.8 37.4 -61.7 -25.7 5.4 47.8 63.8 58 58 A E T 345S- 0 0 93 -3,-0.5 -1,-0.3 2,-0.2 3,-0.1 0.463 107.1-129.6-101.9 -6.4 5.5 44.0 64.1 59 59 A N T <<5S+ 0 0 77 -4,-0.8 21,-1.5 -3,-0.7 2,-0.3 0.894 70.7 106.7 57.0 43.6 9.3 43.9 63.8 60 60 A V E < -IJ 55 79B 11 -5,-2.4 -5,-3.1 19,-0.3 2,-0.5 -0.980 60.7-145.8-148.8 158.9 9.1 41.3 61.1 61 61 A I E -IJ 54 78B 0 17,-2.0 17,-1.1 -2,-0.3 2,-0.4 -0.995 25.0-155.7-125.9 119.3 9.5 40.8 57.3 62 62 A V E -IJ 53 77B 1 -9,-3.0 -9,-3.4 -2,-0.5 2,-0.4 -0.853 7.3-165.7-105.6 133.4 7.1 38.3 55.8 63 63 A F E +IJ 52 76B 0 13,-3.0 13,-1.9 -2,-0.4 2,-0.3 -0.899 26.1 133.9-112.9 140.9 7.7 36.4 52.6 64 64 A N E -I 51 0B 2 -13,-1.4 -13,-2.5 -2,-0.4 2,-0.3 -0.930 31.9-142.9-165.1-174.2 4.9 34.5 50.8 65 65 A S E + 0 0 4 -2,-0.3 8,-0.9 -15,-0.2 2,-0.2 -0.945 15.9 167.8-155.8 169.1 3.3 33.7 47.4 66 66 A R E -I 48 0B 37 -18,-2.0 -18,-2.7 -2,-0.3 6,-0.1 -0.827 37.3 -98.0 175.5 147.3 -0.1 33.2 45.9 67 67 A L > - 0 0 93 4,-0.3 3,-1.8 -2,-0.2 -20,-0.1 -0.288 51.4 -94.8 -70.2 161.8 -1.9 33.0 42.5 68 68 A K T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -23,-0.2 -22,-0.1 0.853 127.1 17.1 -44.7 -46.6 -3.7 36.0 41.2 69 69 A N T 3 S+ 0 0 59 2,-0.1 -1,-0.3 482,-0.0 483,-0.1 0.048 115.2 98.9-116.5 23.2 -7.0 34.8 42.6 70 70 A G S < S- 0 0 12 -3,-1.8 2,-0.3 1,-0.1 -4,-0.0 -0.231 72.7 -95.1 -99.0-170.6 -5.5 32.3 45.0 71 71 A A - 0 0 21 -2,-0.1 -4,-0.3 1,-0.1 500,-0.2 -0.755 36.8-100.2-109.7 155.3 -4.6 32.1 48.7 72 72 A W - 0 0 64 498,-3.2 500,-0.3 -2,-0.3 -6,-0.2 -0.321 36.3-142.5 -65.6 154.5 -1.3 32.9 50.6 73 73 A G - 0 0 34 -8,-0.9 -1,-0.1 1,-0.3 2,-0.1 -0.085 50.4 -42.9-100.0-156.0 0.6 29.8 51.6 74 74 A P - 0 0 100 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.435 68.6-116.3 -70.9 151.9 2.5 29.4 54.8 75 75 A E - 0 0 85 -3,-0.1 2,-0.5 -11,-0.1 -11,-0.2 -0.567 16.8-153.4 -88.8 152.7 4.5 32.5 55.8 76 76 A E E -J 63 0B 66 -13,-1.9 -13,-3.0 -2,-0.2 2,-0.3 -0.998 24.5-173.7-125.0 123.9 8.3 32.7 56.1 77 77 A R E +J 62 0B 115 -2,-0.5 -15,-0.2 -15,-0.2 -17,-0.0 -0.823 20.7 178.7-124.3 161.2 9.5 35.3 58.5 78 78 A I E -J 61 0B 30 -17,-1.1 -17,-2.0 -2,-0.3 -2,-0.0 -0.969 45.8 -85.8-152.1 149.8 12.6 37.0 59.8 79 79 A P E -J 60 0B 82 0, 0.0 -19,-0.3 0, 0.0 -20,-0.1 -0.341 28.5-145.5 -61.5 140.2 13.1 39.8 62.4 80 80 A Y > + 0 0 32 -21,-1.5 3,-0.6 -25,-0.2 4,-0.4 0.875 68.6 99.0 -72.7 -40.2 12.8 43.3 60.9 81 81 A A T 3 S+ 0 0 45 -22,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.076 87.3 11.4 -53.1 144.6 15.4 44.9 63.2 82 82 A E T 3 S+ 0 0 170 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.862 97.3 105.3 55.2 42.5 19.0 45.4 62.1 83 83 A K < + 0 0 28 -3,-0.6 23,-2.5 1,-0.1 22,-1.1 0.715 67.0 54.3-114.8 -41.0 18.2 44.7 58.4 84 84 A F - 0 0 17 -4,-0.4 -1,-0.1 21,-0.2 -2,-0.1 -0.673 63.9-145.7-103.1 153.7 18.3 48.1 56.7 85 85 A R - 0 0 123 -2,-0.3 3,-0.4 3,-0.1 0, 0.0 -0.944 34.4-110.6-118.6 111.8 20.9 50.8 56.6 86 86 A P S S+ 0 0 78 0, 0.0 -57,-0.0 0, 0.0 -58,-0.0 -0.419 86.6 21.9 -76.8 159.9 19.7 54.4 56.5 87 87 A P S S+ 0 0 91 0, 0.0 -56,-0.0 0, 0.0 -2,-0.0 -0.978 135.9 27.2 -91.2 1.9 19.5 56.8 54.6 88 88 A N S S- 0 0 92 -3,-0.4 -60,-0.1 -60,-0.1 -3,-0.1 -0.618 76.8-179.8-120.5 70.5 19.8 54.5 51.6 89 89 A P - 0 0 2 0, 0.0 -62,-2.6 0, 0.0 2,-0.3 -0.310 10.6-160.6 -67.9 156.1 18.4 51.1 52.6 90 90 A S E -B 26 0A 23 -64,-0.2 2,-0.4 2,-0.0 15,-0.4 -0.951 20.5-156.5-140.4 162.1 18.4 48.4 49.9 91 91 A I E -B 25 0A 2 -66,-2.7 -66,-3.3 -2,-0.3 2,-0.5 -0.989 11.5-166.6-136.7 123.7 16.8 45.0 48.9 92 92 A T E -BD 24 103A 26 11,-3.3 11,-3.0 -2,-0.4 2,-0.5 -0.960 4.3-171.6-117.5 124.2 18.6 42.6 46.7 93 93 A V E -BD 23 102A 0 -70,-2.6 -70,-3.0 -2,-0.5 2,-0.4 -0.959 1.5-172.9-117.1 127.6 16.6 39.7 45.1 94 94 A I E -BD 22 101A 11 7,-2.9 7,-2.4 -2,-0.5 2,-0.8 -0.978 19.0-139.9-125.0 130.4 18.3 36.9 43.2 95 95 A D E + D 0 100A 2 -74,-2.4 -75,-3.1 -2,-0.4 5,-0.2 -0.786 19.7 177.8 -89.1 110.5 16.6 34.1 41.3 96 96 A H - 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