==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 16-JUL-09 2KM2 . COMPND 2 MOLECULE: GALECTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.V.NESMELOVA,E.ERMAKOVA,V.A.DARAGAN,M.PANG,L.G.BAUM, . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 67.2 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 . 128 47.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 2 0.7 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 . 30 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 3.7 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0 4 6 4 2 4 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 0 0 0 0 1 0 0 0 1 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 A 0 0 108 0, 0.0 2,-0.2 0, 0.0 124,-0.1 0.000 360.0 360.0 360.0 31.7 211.2 -9.3 11.1 2 2 A C + 0 0 78 124,-0.1 122,-0.8 2,-0.1 124,-0.3 -0.701 360.0 105.7-158.0 101.4 209.3 -9.2 7.8 3 3 A G - 0 0 8 120,-0.3 119,-0.2 -2,-0.2 124,-0.1 -0.777 58.2-115.7-176.8 128.3 206.5 -6.7 6.9 4 4 A L - 0 0 32 -2,-0.2 118,-1.1 124,-0.2 2,-0.4 -0.283 27.4-138.7 -67.6 154.7 206.3 -3.6 4.6 5 5 A V E -AB 121 142A 40 137,-1.2 137,-1.3 116,-0.2 2,-0.3 -0.939 17.1-165.5-118.2 136.9 205.7 -0.2 6.2 6 6 A A E -AB 120 141A 6 114,-3.1 114,-1.5 -2,-0.4 2,-0.3 -0.794 6.6-179.0-119.6 164.4 203.4 2.5 4.7 7 7 A S E +AB 119 140A 38 133,-1.4 133,-1.3 -2,-0.3 112,-0.2 -0.970 59.0 43.1-153.1 166.4 202.8 6.2 5.3 8 8 A N E + 0 0 71 110,-1.0 -1,-0.1 -2,-0.3 110,-0.1 0.909 65.2 141.2 60.8 38.5 200.6 9.1 4.1 9 9 A L E - 0 0 31 109,-0.6 108,-0.2 -3,-0.1 109,-0.2 0.489 31.4-173.7 -89.7 -3.4 197.6 6.8 4.2 10 10 A N E - 0 0 88 106,-0.1 2,-0.5 1,-0.1 108,-0.2 0.601 12.0-176.4 6.1 78.1 195.3 9.6 5.6 11 11 A L E -A 117 0A 13 106,-1.5 106,-1.5 4,-0.0 -1,-0.1 -0.833 9.8-153.7-100.2 129.8 192.3 7.2 6.2 12 12 A K > - 0 0 121 -2,-0.5 3,-0.8 104,-0.2 79,-0.2 -0.573 29.8 -86.7 -98.0 164.9 189.0 8.8 7.4 13 13 A P T 3 S+ 0 0 42 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 -0.328 110.1 42.6 -66.9 147.3 186.3 7.1 9.4 14 14 A G T 3 S+ 0 0 65 77,-0.4 2,-0.4 1,-0.3 78,-0.1 0.560 90.3 112.7 92.7 7.8 183.6 5.2 7.4 15 15 A E < - 0 0 50 -3,-0.8 76,-0.7 76,-0.5 2,-0.4 -0.882 57.7-140.4-115.4 146.8 186.2 3.6 5.1 16 16 A C E -N 90 0B 50 -2,-0.4 118,-2.1 74,-0.2 2,-0.5 -0.859 11.3-160.3-106.5 137.9 187.1 -0.1 4.8 17 17 A L E -NO 89 133B 23 72,-2.1 72,-2.8 -2,-0.4 2,-0.5 -0.951 4.2-166.9-117.8 130.1 190.7 -1.3 4.3 18 18 A R E -NO 88 132B 122 114,-1.6 114,-2.3 -2,-0.5 2,-0.5 -0.946 2.6-172.3-119.0 128.7 191.5 -4.8 3.0 19 19 A V E -NO 87 131B 20 68,-1.5 68,-1.7 -2,-0.5 2,-0.5 -0.953 3.2-167.7-121.1 125.3 194.9 -6.3 3.1 20 20 A R E +NO 86 130B 146 110,-1.2 110,-1.4 -2,-0.5 109,-1.0 -0.912 26.4 139.9-109.9 129.0 195.8 -9.6 1.4 21 21 A G E -NO 85 128B 4 64,-1.6 64,-1.3 -2,-0.5 2,-0.4 -0.822 47.0-103.1-149.2-170.0 199.2 -11.3 2.3 22 22 A E E -NO 84 127B 67 105,-4.0 105,-2.3 -2,-0.2 2,-0.4 -0.975 24.6-137.5-129.6 123.3 200.8 -14.6 3.0 23 23 A V E - O 0 126B 12 60,-1.8 60,-0.4 -2,-0.4 103,-0.2 -0.621 31.8-112.8 -79.2 129.5 201.7 -15.8 6.5 24 24 A A > - 0 0 33 101,-2.8 58,-3.0 -2,-0.4 3,-0.7 -0.088 27.2-107.6 -54.8 163.2 205.2 -17.4 6.7 25 25 A P T 3 S+ 0 0 110 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.700 119.2 53.3 -67.8 -18.3 205.4 -21.2 7.4 26 26 A D T 3 S+ 0 0 102 99,-0.2 2,-1.9 55,-0.1 3,-0.4 -0.401 72.7 178.1-113.6 56.8 206.7 -20.3 10.9 27 27 A A < + 0 0 6 -3,-0.7 22,-0.1 -2,-0.2 3,-0.1 -0.332 30.5 132.2 -59.8 84.9 204.0 -17.9 12.0 28 28 A K + 0 0 100 -2,-1.9 21,-1.2 1,-0.3 22,-0.5 0.750 65.3 14.6-109.6 -33.9 205.5 -17.3 15.5 29 29 A S B +C 48 0A 49 -3,-0.4 96,-2.9 19,-0.2 2,-0.3 -0.993 57.3 178.0-146.2 140.5 205.5 -13.5 16.0 30 30 A F E -D 124 0A 18 17,-1.1 2,-0.4 -2,-0.3 94,-0.2 -0.995 8.0-163.8-139.6 146.5 203.8 -10.5 14.3 31 31 A V E +D 123 0A 44 92,-0.7 92,-2.5 -2,-0.3 2,-0.4 -0.985 10.1 177.0-133.4 130.0 203.8 -6.8 14.9 32 32 A L E +DE 122 45A 53 13,-1.6 13,-0.7 -2,-0.4 2,-0.3 -0.979 6.3 179.7-131.8 144.6 201.4 -4.2 13.6 33 33 A N E +DE 121 44A 32 88,-3.1 88,-3.0 -2,-0.4 2,-0.5 -0.854 5.8 169.0-146.1 108.7 201.0 -0.4 14.2 34 34 A L E +DE 120 43A 22 9,-1.6 8,-1.2 -2,-0.3 9,-1.2 -0.920 37.8 87.5-124.2 111.3 198.4 1.8 12.5 35 35 A G E S-DE 119 41A 0 84,-2.5 84,-3.5 -2,-0.5 83,-2.3 -0.445 84.1 -78.7-159.8-122.8 197.9 5.3 13.8 36 36 A K E S+ 0 0 73 4,-1.5 2,-0.3 1,-0.5 5,-0.1 0.577 102.8 23.1-130.4 -46.1 199.5 8.7 13.0 37 37 A D E > S- E 0 40A 88 3,-0.7 3,-0.8 82,-0.1 -1,-0.5 -0.808 84.2-104.6-122.2 164.0 202.8 8.8 14.8 38 38 A S T 3 S+ 0 0 71 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.909 124.0 34.6 -56.5 -42.3 205.1 6.1 16.0 39 39 A N T 3 S+ 0 0 82 1,-0.2 27,-2.8 26,-0.1 28,-0.4 0.465 111.6 67.2 -92.1 -0.1 204.1 6.6 19.7 40 40 A N E < +E 37 0A 28 -3,-0.8 -4,-1.5 24,-0.3 -3,-0.7 -0.454 65.5 153.8-117.4 61.7 200.5 7.5 18.8 41 41 A L E -E 35 0A 9 -2,-0.3 22,-2.4 -3,-0.3 -6,-0.3 -0.710 31.3-162.6 -90.3 137.8 199.1 4.3 17.4 42 42 A C E S+ 0 0 7 -8,-1.2 2,-0.4 -2,-0.4 -7,-0.2 0.802 79.0 24.9 -88.6 -30.0 195.4 3.7 17.7 43 43 A L E -E 34 0A 12 -9,-1.2 -9,-1.6 19,-0.1 2,-0.4 -0.995 63.0-177.0-137.1 138.1 195.6 -0.1 17.2 44 44 A H E -EF 33 61A 36 17,-1.0 17,-1.2 -2,-0.4 2,-0.4 -0.981 5.4-166.7-135.8 126.5 198.4 -2.6 17.8 45 45 A F E +EF 32 60A 39 -13,-0.7 -13,-1.6 -2,-0.4 15,-0.2 -0.892 14.2 165.0-113.0 142.0 198.3 -6.4 17.1 46 46 A N E - F 0 59A 36 13,-1.2 13,-0.5 -2,-0.4 -15,-0.1 -0.360 9.5-179.5-154.7 69.9 200.8 -8.9 18.4 47 47 A P E - F 0 58A 23 0, 0.0 -17,-1.1 0, 0.0 2,-0.4 -0.372 9.5-161.4 -69.4 147.5 199.8 -12.6 18.1 48 48 A R E -CF 29 57A 106 9,-2.4 9,-1.4 -19,-0.2 3,-0.3 -0.899 17.1-168.5-137.8 111.3 202.3 -15.2 19.4 49 49 A F S S- 0 0 101 -21,-1.2 7,-0.5 -2,-0.4 2,-0.2 0.948 85.5 -18.4 -62.1 -46.3 202.2 -18.8 18.4 50 50 A N S S+ 0 0 76 -22,-0.5 -1,-0.2 5,-0.2 5,-0.1 -0.619 79.9 136.9-164.6 99.5 204.7 -19.8 21.1 51 51 A A S S+ 0 0 48 -3,-0.3 -22,-0.0 -2,-0.2 -2,-0.0 0.640 84.4 6.6-110.0 -89.8 207.0 -17.3 23.0 52 52 A H S S- 0 0 172 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.936 132.2 -62.9 -63.1 -42.4 207.3 -17.7 26.7 53 53 A G S S+ 0 0 52 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.299 100.4 110.3 161.8 38.5 205.3 -20.9 26.7 54 54 A D - 0 0 83 3,-0.1 2,-0.3 -6,-0.0 3,-0.0 -0.518 50.7-131.7-117.5-171.6 201.8 -20.1 25.4 55 55 A A - 0 0 60 -2,-0.2 -5,-0.2 -5,-0.1 -6,-0.2 -0.993 69.1 -12.7-145.2 152.6 199.8 -20.9 22.3 56 56 A N S S+ 0 0 45 -7,-0.5 2,-0.4 -2,-0.3 -7,-0.2 0.767 84.1 153.8 23.1 56.8 197.5 -19.0 19.8 57 57 A T E -F 48 0A 35 -9,-1.4 -9,-2.4 18,-0.1 2,-0.4 -0.916 27.7-160.6-112.9 132.6 197.4 -16.0 22.1 58 58 A I E -FG 47 74A 21 16,-1.8 16,-2.3 -2,-0.4 2,-0.5 -0.930 3.6-158.1-117.0 135.6 196.8 -12.5 20.7 59 59 A V E -FG 46 73A 29 -13,-0.5 -13,-1.2 -2,-0.4 2,-0.4 -0.914 11.7-177.7-110.9 130.4 197.5 -9.2 22.5 60 60 A C E +FG 45 72A 18 12,-0.7 12,-3.3 -2,-0.5 2,-0.3 -0.974 15.7 141.3-130.9 126.2 195.7 -6.0 21.4 61 61 A N E -F 44 0A 29 -17,-1.2 -17,-1.0 -2,-0.4 2,-0.3 -0.940 33.4-133.6-151.3 173.3 196.3 -2.5 22.8 62 62 A S - 0 0 17 -2,-0.3 2,-0.3 -19,-0.2 -20,-0.2 -0.938 14.3-157.2-131.8 155.2 196.5 1.2 21.8 63 63 A K - 0 0 76 -22,-2.4 2,-0.5 -2,-0.3 6,-0.2 -0.975 7.8-153.9-135.2 150.4 199.0 4.0 22.7 64 64 A D S > S- 0 0 78 4,-0.5 3,-1.4 -2,-0.3 -24,-0.3 -0.894 80.7 -33.9-124.5 105.5 199.0 7.8 22.8 65 65 A G T 3 S- 0 0 39 -2,-0.5 -25,-0.3 1,-0.3 -1,-0.1 0.819 118.1 -57.9 57.6 27.0 202.3 9.6 22.3 66 66 A G T 3 S+ 0 0 39 -27,-2.8 -1,-0.3 2,-0.1 -26,-0.1 0.790 112.1 124.3 75.5 23.2 204.0 6.7 24.2 67 67 A A S < S- 0 0 47 -3,-1.4 2,-0.1 -28,-0.4 -2,-0.1 0.921 72.6 -54.5 -81.2 -85.3 201.7 7.4 27.2 68 68 A W - 0 0 227 -4,-0.2 -4,-0.5 2,-0.0 -1,-0.2 -0.408 46.4-148.8-135.3-146.9 199.8 4.2 28.1 69 69 A G - 0 0 36 -6,-0.2 2,-1.9 -2,-0.1 -6,-0.1 -0.600 23.9-120.5 167.4 129.4 197.4 1.7 26.4 70 70 A T - 0 0 79 -2,-0.2 2,-0.4 -8,-0.1 -7,-0.1 -0.537 38.4-166.9 -81.5 80.2 194.4 -0.5 27.3 71 71 A E + 0 0 126 -2,-1.9 -10,-0.3 -10,-0.2 2,-0.1 -0.538 10.3 178.2 -72.4 124.8 196.0 -3.9 26.4 72 72 A Q E -G 60 0A 66 -12,-3.3 -12,-0.7 -2,-0.4 2,-0.4 -0.282 24.6-116.0-109.5-162.0 193.4 -6.7 26.2 73 73 A R E -G 59 0A 169 -14,-0.2 2,-0.5 -2,-0.1 -14,-0.2 -0.911 20.2-171.3-145.9 117.4 193.6 -10.4 25.3 74 74 A E E -G 58 0A 43 -16,-2.3 -16,-1.8 -2,-0.4 2,-0.0 -0.914 5.4-169.0-110.4 125.7 192.0 -12.2 22.4 75 75 A A + 0 0 55 -2,-0.5 2,-0.4 -18,-0.2 -18,-0.1 -0.201 49.9 110.1-105.8 45.7 192.1 -16.0 22.2 76 76 A V + 0 0 78 -18,-0.0 -2,-0.1 -2,-0.0 27,-0.0 -0.959 33.2 170.8-121.4 133.0 190.8 -16.5 18.7 77 77 A F + 0 0 89 -2,-0.4 2,-1.1 1,-0.0 26,-0.0 -0.594 7.9 172.2-143.0 82.0 193.0 -17.8 15.8 78 78 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 24,-0.0 -0.129 62.3 73.3 -80.0 41.3 191.2 -18.7 12.5 79 79 A F - 0 0 57 -2,-1.1 6,-0.0 22,-0.0 5,-0.0 -0.980 62.2-147.4-149.8 163.2 194.5 -19.1 10.6 80 80 A Q - 0 0 118 -2,-0.3 3,-0.5 4,-0.1 -57,-0.1 -0.864 35.3 -87.0-129.9 164.6 197.4 -21.5 10.3 81 81 A P S S+ 0 0 65 0, 0.0 -57,-0.1 0, 0.0 3,-0.1 -0.359 110.3 23.4 -69.8 148.9 201.1 -21.1 9.6 82 82 A G S S+ 0 0 44 -58,-3.0 2,-0.4 1,-0.2 -58,-0.2 0.933 99.0 124.9 63.4 41.8 202.2 -21.1 5.9 83 83 A S - 0 0 42 -3,-0.5 -60,-1.8 -60,-0.4 2,-0.3 -0.993 61.4-126.3-137.4 137.3 198.7 -20.0 4.8 84 84 A V E +N 22 0B 95 -2,-0.4 2,-0.3 -62,-0.2 -62,-0.2 -0.597 39.9 164.4 -79.2 135.5 197.4 -17.0 2.8 85 85 A A E -N 21 0B 20 -64,-1.3 -64,-1.6 -2,-0.3 2,-0.4 -0.997 27.7-143.1-150.7 154.6 194.8 -14.9 4.5 86 86 A E E -N 20 0B 36 -2,-0.3 2,-0.5 -66,-0.2 -66,-0.2 -0.948 11.1-160.1-121.0 140.1 193.1 -11.5 4.2 87 87 A V E -N 19 0B 52 -68,-1.7 -68,-1.5 -2,-0.4 2,-0.6 -0.961 9.6-144.9-122.6 130.3 192.0 -9.3 7.1 88 88 A C E -NP 18 99B 33 11,-1.5 11,-2.1 -2,-0.5 2,-0.5 -0.780 18.5-173.5 -92.7 125.0 189.4 -6.5 6.9 89 89 A I E -NP 17 98B 33 -72,-2.8 -72,-2.1 -2,-0.6 2,-0.5 -0.955 5.9-178.1-122.0 125.0 190.1 -3.5 9.1 90 90 A T E -NP 16 97B 22 7,-2.6 7,-2.1 -2,-0.5 2,-0.7 -0.965 8.1-162.8-121.8 124.5 187.7 -0.6 9.4 91 91 A F E + P 0 96B 8 -76,-0.7 -76,-0.5 -2,-0.5 -77,-0.4 -0.889 17.4 166.8-110.5 112.8 188.6 2.5 11.6 92 92 A D - 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