==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 14-JUN-09 2WKK . COMPND 2 MOLECULE: GALECTIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: COPRINOPSIS CINEREA; . AUTHOR A.BUTSCHI,A.TITZ,M.WAELTI,V.OLIERIC,K.PASCHINGER, . 600 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 63.7 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 . 249 41.5 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 . 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 . 69 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 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 70 0, 0.0 139,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.0 6.6 -25.3 20.5 2 2 A L E +A 139 0A 1 137,-0.2 2,-0.3 176,-0.2 137,-0.2 -0.783 360.0 177.9 -94.8 130.2 7.6 -23.0 17.7 3 3 A Y E -A 138 0A 23 135,-2.8 135,-2.4 -2,-0.4 2,-0.6 -0.951 25.5-141.7-124.8 150.4 5.4 -22.2 14.7 4 4 A H E -A 137 0A 14 -2,-0.3 2,-0.7 133,-0.2 133,-0.2 -0.942 22.1-163.6-108.9 108.8 5.8 -20.0 11.7 5 5 A L E -A 136 0A 0 131,-2.1 131,-2.3 -2,-0.6 2,-0.2 -0.836 7.2-154.8 -99.9 111.3 2.4 -18.5 11.0 6 6 A F > - 0 0 66 -2,-0.7 3,-1.0 129,-0.3 119,-0.3 -0.518 27.6 -91.2 -87.4 153.0 2.1 -16.9 7.6 7 7 A V T 3 S+ 0 0 36 1,-0.3 119,-0.2 -2,-0.2 3,-0.1 -0.346 112.7 13.1 -58.9 138.2 -0.3 -14.2 6.4 8 8 A N T 3 S+ 0 0 103 117,-1.5 -1,-0.3 1,-0.3 2,-0.2 0.870 120.5 81.8 58.7 41.7 -3.6 -15.5 5.1 9 9 A N E < -F 125 0B 95 116,-1.4 116,-2.3 -3,-1.0 2,-0.3 -0.808 64.8-139.3-154.1-174.0 -2.8 -18.9 6.5 10 10 A Q E -F 124 0B 94 -2,-0.2 2,-0.4 114,-0.2 114,-0.2 -0.949 10.0-127.8-150.1 166.8 -3.0 -20.8 9.8 11 11 A V E -F 123 0B 16 112,-2.5 112,-1.9 -2,-0.3 2,-0.6 -0.996 17.9-137.8-122.1 132.3 -1.0 -23.2 11.9 12 12 A K E -F 122 0B 159 -2,-0.4 110,-0.2 110,-0.2 2,-0.1 -0.795 29.9-126.3 -83.8 122.2 -2.5 -26.5 13.3 13 13 A L E - 0 0 11 108,-2.5 3,-0.1 -2,-0.6 4,-0.0 -0.413 0.8-137.8 -75.3 144.8 -1.4 -26.9 16.9 14 14 A Q E S+ 0 0 83 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.785 91.8 16.5 -68.0 -28.8 0.3 -30.0 18.0 15 15 A N E S- 0 0 126 105,-0.0 -1,-0.1 106,-0.0 105,-0.0 -0.949 100.6 -79.8-140.6 157.4 -1.8 -29.9 21.2 16 16 A D E - 0 0 83 -2,-0.3 2,-0.7 1,-0.1 105,-0.2 -0.296 35.4-128.9 -58.8 138.0 -4.9 -28.1 22.3 17 17 A F E +F 120 0B 3 103,-2.9 103,-2.4 4,-0.1 -1,-0.1 -0.859 56.4 142.7 -84.2 114.1 -4.5 -24.5 23.4 18 18 A K > - 0 0 91 -2,-0.7 3,-2.9 101,-0.2 77,-0.3 -0.747 52.0 -27.7-146.7-178.4 -6.4 -24.7 26.7 19 19 A P T 3 S+ 0 0 46 0, 0.0 77,-0.2 0, 0.0 -1,-0.2 -0.123 129.3 20.2 -49.3 136.1 -6.2 -23.4 30.3 20 20 A E T 3 S+ 0 0 17 75,-3.1 124,-0.2 1,-0.3 76,-0.1 0.087 94.7 133.1 88.2 -16.5 -2.6 -22.5 31.3 21 21 A S < - 0 0 3 -3,-2.9 74,-2.3 122,-0.1 2,-0.4 -0.322 39.0-161.4 -68.0 147.6 -1.6 -22.3 27.6 22 22 A V E -BC 94 141A 1 119,-2.1 119,-2.9 72,-0.2 2,-0.5 -0.998 8.1-166.0-131.8 130.6 0.5 -19.3 26.4 23 23 A A E -BC 93 140A 0 70,-2.9 70,-2.5 -2,-0.4 2,-0.7 -0.973 4.3-167.1-117.5 116.1 0.9 -18.1 22.8 24 24 A A E -BC 92 139A 11 115,-2.9 115,-2.2 -2,-0.5 2,-0.5 -0.896 7.9-169.4-105.6 105.1 3.7 -15.6 22.3 25 25 A I E -BC 91 138A 5 66,-3.1 66,-2.3 -2,-0.7 2,-0.4 -0.836 7.0-178.8 -97.7 126.8 3.4 -14.0 18.9 26 26 A R E -BC 90 137A 28 111,-3.0 111,-2.8 -2,-0.5 2,-0.3 -0.993 13.9-151.2-132.6 134.6 6.3 -11.9 17.7 27 27 A S - 0 0 2 62,-2.5 126,-0.2 -2,-0.4 109,-0.1 -0.798 12.6-149.0-102.5 143.2 6.8 -10.0 14.4 28 28 A S S S+ 0 0 31 107,-0.4 2,-0.3 -2,-0.3 127,-0.1 0.475 83.9 25.0 -84.6 -3.8 10.2 -9.3 12.8 29 29 A A - 0 0 42 60,-0.1 104,-0.5 125,-0.1 2,-0.4 -0.968 61.2-143.7-150.9 166.3 8.8 -6.0 11.4 30 30 A F - 0 0 49 -2,-0.3 2,-0.9 102,-0.2 102,-0.2 -0.943 8.4-167.3-136.9 116.0 6.2 -3.2 11.9 31 31 A N > - 0 0 61 100,-2.9 3,-2.6 -2,-0.4 -2,-0.0 -0.838 2.6-170.1-100.4 95.9 4.6 -1.6 8.9 32 32 A S T 3 S+ 0 0 83 -2,-0.9 -1,-0.1 1,-0.3 99,-0.1 0.691 85.9 58.4 -64.5 -16.5 2.9 1.4 10.3 33 33 A K T 3 S+ 0 0 172 97,-0.1 -1,-0.3 -3,-0.1 98,-0.1 0.341 85.0 122.9 -88.0 4.7 1.1 2.0 7.0 34 34 A G < - 0 0 7 -3,-2.6 96,-0.2 97,-0.1 97,-0.1 -0.104 53.9-133.6 -64.3 164.5 -0.5 -1.5 7.3 35 35 A G - 0 0 28 94,-3.1 96,-0.3 1,-0.2 -1,-0.1 -0.244 53.7 -30.7-104.9-165.4 -4.2 -2.1 7.2 36 36 A T - 0 0 69 19,-0.1 92,-0.6 94,-0.1 2,-0.4 -0.260 61.9-167.2 -54.8 129.9 -6.5 -4.2 9.3 37 37 A T E -GH 54 127B 0 17,-2.4 17,-3.1 90,-0.1 2,-0.4 -0.986 2.2-161.7-130.4 129.0 -4.7 -7.3 10.6 38 38 A V E -GH 53 126B 19 88,-2.6 88,-2.5 -2,-0.4 2,-0.4 -0.908 15.1-173.1-122.4 136.6 -6.4 -10.3 12.2 39 39 A F E -GH 52 125B 0 13,-2.1 13,-2.7 -2,-0.4 2,-0.4 -0.997 14.4-169.7-119.6 135.0 -5.5 -13.2 14.4 40 40 A N E -GH 51 124B 13 84,-2.2 84,-2.8 -2,-0.4 2,-0.6 -0.976 18.0-150.5-123.7 136.3 -8.1 -15.9 15.2 41 41 A F E -GH 50 123B 0 9,-2.7 8,-2.1 -2,-0.4 9,-1.3 -0.936 29.2-165.8-100.0 119.2 -8.0 -18.8 17.7 42 42 A L E -GH 48 122B 21 80,-2.6 79,-3.1 -2,-0.6 80,-1.8 -0.849 14.9-136.3-113.3 140.7 -10.0 -21.6 16.1 43 43 A S > - 0 0 5 4,-2.3 3,-2.0 -2,-0.4 77,-0.2 -0.318 40.5 -97.3 -78.4 172.6 -11.5 -24.8 17.6 44 44 A A T 3 S+ 0 0 87 75,-0.4 -1,-0.1 1,-0.3 76,-0.1 0.825 129.0 55.2 -59.4 -31.6 -11.3 -28.1 15.8 45 45 A G T 3 S- 0 0 40 2,-0.1 -1,-0.3 1,-0.0 23,-0.2 0.313 122.4-109.5 -84.7 8.0 -14.8 -27.4 14.5 46 46 A E < + 0 0 111 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.711 65.6 152.3 69.5 24.8 -13.6 -24.1 13.1 47 47 A N - 0 0 22 20,-0.1 -4,-2.3 21,-0.1 2,-1.1 -0.659 50.4-123.5 -77.3 138.4 -15.4 -21.9 15.7 48 48 A I E +GI 42 66B 8 18,-2.7 18,-1.9 -2,-0.3 -6,-0.2 -0.754 34.3 175.6 -88.0 98.3 -13.7 -18.6 16.2 49 49 A L E S+ 0 0 4 -8,-2.1 2,-0.4 -2,-1.1 66,-0.4 0.886 73.0 14.4 -70.8 -42.7 -13.0 -18.7 20.0 50 50 A L E -G 41 0B 0 -9,-1.3 -9,-2.7 -3,-0.2 2,-0.5 -0.969 68.1-171.6-139.9 121.1 -11.0 -15.5 20.0 51 51 A H E -GI 40 64B 19 13,-2.5 13,-1.4 -2,-0.4 2,-0.5 -0.952 1.8-169.9-112.6 127.6 -10.9 -13.0 17.2 52 52 A I E -GI 39 63B 0 -13,-2.7 -13,-2.1 -2,-0.5 2,-0.7 -0.957 3.1-174.5-120.9 110.1 -8.5 -10.1 17.3 53 53 A S E -GI 38 62B 4 9,-3.0 9,-2.7 -2,-0.5 2,-0.7 -0.914 7.4-161.9-110.8 107.8 -9.0 -7.4 14.7 54 54 A I E -GI 37 61B 0 -17,-3.1 -17,-2.4 -2,-0.7 7,-0.2 -0.825 10.5-177.1 -96.5 114.7 -6.3 -4.8 14.7 55 55 A R E >>> + I 0 60B 48 5,-2.8 5,-1.7 -2,-0.7 4,-1.1 -0.790 15.5 175.9-122.7 88.3 -7.5 -1.7 12.8 56 56 A P T 345S+ 0 0 27 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.886 83.2 54.2 -60.2 -39.0 -5.0 1.2 12.5 57 57 A G T 345S+ 0 0 84 1,-0.3 -22,-0.0 -23,-0.1 -2,-0.0 0.785 116.3 37.3 -66.7 -30.4 -7.4 3.3 10.3 58 58 A E T <45S- 0 0 96 -3,-0.6 -1,-0.3 2,-0.2 3,-0.1 0.484 106.4-129.2 -96.3 -5.3 -10.2 3.1 12.9 59 59 A N T <5 + 0 0 74 -4,-1.1 21,-1.4 -3,-0.5 2,-0.3 0.838 69.3 109.5 57.1 38.8 -7.7 3.4 15.8 60 60 A V E < -IJ 55 79B 21 -5,-1.7 -5,-2.8 19,-0.3 2,-0.5 -0.967 59.4-147.5-138.4 155.0 -9.2 0.3 17.5 61 61 A I E -IJ 54 78B 0 17,-2.7 17,-2.1 -2,-0.3 2,-0.4 -0.998 26.9-156.7-116.0 128.2 -8.5 -3.3 18.3 62 62 A V E -IJ 53 77B 0 -9,-2.7 -9,-3.0 -2,-0.5 2,-0.4 -0.911 7.8-164.0-113.4 130.6 -11.7 -5.4 18.3 63 63 A F E +IJ 52 76B 1 13,-2.6 13,-2.2 -2,-0.4 2,-0.3 -0.914 26.3 138.1-111.5 139.8 -12.2 -8.6 20.2 64 64 A N E -I 51 0B 2 -13,-1.4 -13,-2.5 -2,-0.4 2,-0.3 -0.935 32.9-140.7-163.3 177.6 -15.1 -11.0 19.3 65 65 A S E + 0 0 6 -2,-0.3 8,-1.3 -15,-0.2 2,-0.3 -0.976 17.0 173.6-145.5 155.5 -16.1 -14.6 18.8 66 66 A R E -I 48 0B 71 -18,-1.9 -18,-2.7 -2,-0.3 6,-0.1 -0.973 32.4-108.5-158.8 153.9 -18.4 -16.5 16.4 67 67 A L > - 0 0 97 4,-0.4 3,-1.8 -2,-0.3 -20,-0.1 -0.397 49.6 -94.4 -72.9 162.6 -19.4 -20.0 15.5 68 68 A K T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -23,-0.2 -21,-0.1 0.837 125.1 20.1 -45.0 -48.8 -18.2 -21.4 12.2 69 69 A N T 3 S+ 0 0 154 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.175 111.9 111.4-105.6 12.4 -21.3 -20.5 10.3 70 70 A G < - 0 0 32 -3,-1.8 2,-0.2 1,-0.1 3,-0.1 -0.376 68.9-104.5 -99.0 166.3 -22.4 -17.9 12.8 71 71 A A - 0 0 91 1,-0.1 -4,-0.4 -2,-0.1 -1,-0.1 -0.475 46.7 -97.0 -75.8 152.8 -22.9 -14.2 13.2 72 72 A W - 0 0 111 -2,-0.2 -6,-0.2 -6,-0.1 -1,-0.1 -0.356 37.1-136.1 -63.7 150.9 -20.4 -12.1 15.2 73 73 A G - 0 0 33 -8,-1.3 2,-0.1 1,-0.2 -1,-0.1 -0.049 49.1 -46.8 -89.0-162.2 -21.4 -11.4 18.8 74 74 A P - 0 0 98 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.462 64.8-118.3 -71.2 145.8 -21.0 -8.0 20.6 75 75 A E - 0 0 86 -2,-0.1 2,-0.5 -11,-0.1 -11,-0.2 -0.561 14.3-154.6 -84.5 146.2 -17.6 -6.3 20.1 76 76 A E E -J 63 0B 74 -13,-2.2 -13,-2.6 -2,-0.2 2,-0.3 -0.987 26.4-167.6-116.6 117.3 -15.2 -5.5 22.9 77 77 A R E +J 62 0B 112 -2,-0.5 -15,-0.2 -15,-0.2 -17,-0.0 -0.833 19.1 171.9-115.3 145.8 -13.1 -2.6 21.8 78 78 A I E -J 61 0B 35 -17,-2.1 -17,-2.7 -2,-0.3 2,-0.1 -0.933 43.6 -84.9-136.7 163.0 -9.9 -0.8 22.9 79 79 A P E -J 60 0B 76 0, 0.0 -19,-0.3 0, 0.0 -20,-0.1 -0.394 24.5-150.4 -69.1 147.0 -7.7 1.9 21.3 80 80 A Y > + 0 0 32 -21,-1.4 3,-0.7 -25,-0.2 4,-0.4 0.844 68.4 92.9 -80.2 -40.7 -5.0 0.9 18.8 81 81 A A T 3 S+ 0 0 42 -22,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.218 89.1 18.0 -60.8 143.8 -2.6 3.7 19.5 82 82 A E T 3 S+ 0 0 171 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.838 98.6 97.5 68.0 37.4 0.2 3.2 22.1 83 83 A K < + 0 0 27 -3,-0.7 23,-1.7 1,-0.2 22,-1.7 0.677 68.1 60.6-118.2 -37.8 -0.0 -0.6 22.0 84 84 A F - 0 0 17 -4,-0.4 -1,-0.2 21,-0.2 -2,-0.2 -0.803 61.4-151.2-108.0 140.8 2.7 -1.8 19.7 85 85 A R - 0 0 77 -2,-0.4 3,-0.5 5,-0.1 0, 0.0 -0.916 32.3-111.0-112.0 110.1 6.5 -1.3 19.9 86 86 A P S S+ 0 0 76 0, 0.0 -57,-0.0 0, 0.0 -55,-0.0 -0.435 85.3 24.2 -71.4 156.7 8.4 -1.3 16.6 87 87 A P S S+ 0 0 63 0, 0.0 -2,-0.0 0, 0.0 -56,-0.0 -0.992 134.2 22.4 -93.5 -0.4 10.4 -2.9 15.1 88 88 A N S S- 0 0 35 -3,-0.5 -60,-0.1 -60,-0.1 -58,-0.1 -0.577 77.7-177.9-124.5 68.7 9.5 -6.2 16.8 89 89 A P - 0 0 1 0, 0.0 -62,-2.5 0, 0.0 2,-0.3 -0.217 8.2-159.9 -68.7 159.8 5.9 -5.8 18.1 90 90 A S E -B 26 0A 25 -64,-0.2 2,-0.4 2,-0.0 15,-0.3 -0.933 21.5-159.4-140.6 160.5 4.2 -8.7 20.0 91 91 A I E -B 25 0A 2 -66,-2.3 -66,-3.1 -2,-0.3 2,-0.5 -0.983 13.3-167.0-138.0 127.4 1.0 -10.1 21.1 92 92 A T E -BD 24 103A 23 11,-2.6 11,-2.7 -2,-0.4 2,-0.4 -0.977 3.1-170.0-120.1 126.6 0.8 -12.6 24.0 93 93 A V E -BD 23 102A 0 -70,-2.5 -70,-2.9 -2,-0.5 2,-0.4 -0.959 2.8-174.5-119.0 129.6 -2.4 -14.6 24.7 94 94 A I E -BD 22 101A 14 7,-2.6 7,-2.9 -2,-0.4 2,-0.7 -0.988 20.6-137.5-128.1 133.2 -2.9 -16.7 27.8 95 95 A D E + D 0 100A 1 -74,-2.3 -75,-3.1 -2,-0.4 5,-0.2 -0.811 20.9 177.7 -91.0 114.0 -5.8 -19.0 28.6 96 96 A H - 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