==== 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 COMPLEX(LECTIN/SACCHARIDE) 12-MAR-94 1SLA . COMPND 2 MOLECULE: BOVINE GALECTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Y.BOURNE,C.CAMBILLAU . 268 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 72.8 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 . 144 53.7 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 . 8 3.0 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 . 1 0.4 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 . 28 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.2 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 3 4 2 5 2 5 1 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 0 1 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, 0.0 123,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.8 38.9 72.5 19.0 2 2 A C E +A 123 0A 103 121,-0.2 121,-0.2 123,-0.0 3,-0.1 -0.992 360.0 171.9-131.8 130.0 40.4 70.0 21.4 3 3 A G E + 0 0 27 119,-1.4 141,-0.1 -2,-0.4 139,-0.1 -0.040 50.7 0.5-107.8-145.5 39.6 69.4 25.0 4 4 A L E - 0 0 16 140,-0.2 118,-2.1 117,-0.1 2,-0.6 -0.061 51.9-163.0 -48.6 131.3 40.5 66.9 27.6 5 5 A V E -AB 121 142A 37 137,-2.1 137,-2.3 116,-0.2 2,-0.6 -0.962 10.9-165.8-119.4 104.4 43.0 64.2 26.6 6 6 A A E +AB 120 141A 5 114,-2.0 114,-1.8 -2,-0.6 2,-0.2 -0.863 9.8 177.2-100.8 120.0 42.8 61.3 29.1 7 7 A S E +AB 119 140A 51 133,-3.1 133,-2.0 -2,-0.6 112,-0.2 -0.717 56.9 37.6-113.8 166.0 45.6 58.8 29.0 8 8 A N E + 0 0 71 110,-0.9 111,-0.2 -2,-0.2 -1,-0.2 0.635 69.8 149.8 68.6 16.1 46.3 55.8 31.2 9 9 A L E - 0 0 4 109,-1.1 -1,-0.2 -3,-0.2 107,-0.0 -0.353 34.9-156.0 -65.8 164.0 42.6 54.8 31.5 10 10 A N E + 0 0 80 -3,-0.1 2,-0.3 2,-0.1 108,-0.2 -0.281 19.5 174.0-140.8 51.0 42.4 51.1 32.0 11 11 A L E -A 117 0A 0 106,-1.9 106,-2.2 3,-0.0 3,-0.1 -0.484 10.1-172.2 -65.0 118.4 38.9 50.4 30.8 12 12 A K > - 0 0 98 -2,-0.3 3,-2.2 104,-0.2 79,-0.3 -0.685 37.9 -67.9-108.7 165.3 38.4 46.6 30.7 13 13 A P T 3 S+ 0 0 75 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 -0.225 121.9 20.0 -53.5 138.0 35.5 44.5 29.3 14 14 A G T 3 S+ 0 0 68 77,-1.4 2,-0.4 1,-0.3 78,-0.1 0.260 95.4 117.0 85.7 -15.4 32.3 45.0 31.3 15 15 A E < - 0 0 71 -3,-2.2 2,-0.4 76,-0.2 76,-0.3 -0.766 60.8-134.3 -88.9 135.0 33.5 48.3 32.8 16 16 A C - 0 0 27 -2,-0.4 118,-2.7 74,-0.1 2,-0.5 -0.731 11.4-158.7 -96.9 130.8 31.3 51.3 31.9 17 17 A L E -OP 89 133B 1 72,-2.5 72,-2.5 -2,-0.4 2,-0.5 -0.927 13.4-168.9-103.7 125.6 32.7 54.7 30.8 18 18 A R E -OP 88 132B 59 114,-2.8 114,-2.7 -2,-0.5 2,-0.4 -0.968 4.8-174.2-121.7 120.1 30.2 57.5 31.3 19 19 A V E -OP 87 131B 2 68,-2.2 68,-2.3 -2,-0.5 2,-0.4 -0.944 1.9-177.6-116.5 131.3 30.8 60.9 29.8 20 20 A R E +OP 86 130B 111 110,-2.5 109,-2.4 -2,-0.4 110,-2.2 -0.979 20.6 139.3-125.4 136.4 28.5 63.9 30.5 21 21 A G E -OP 85 128B 0 64,-2.6 64,-2.3 -2,-0.4 2,-0.5 -0.959 46.7 -90.6-163.6 179.2 29.1 67.3 28.9 22 22 A E E -OP 84 127B 92 105,-3.0 105,-2.7 -2,-0.3 2,-0.4 -0.913 26.4-143.0-111.5 132.9 27.6 70.4 27.2 23 23 A V E -OP 83 126B 4 60,-2.6 60,-0.7 -2,-0.5 103,-0.2 -0.751 33.3-105.9 -90.3 133.6 27.0 70.8 23.5 24 24 A A > - 0 0 31 101,-1.9 58,-1.4 -2,-0.4 3,-1.2 -0.143 24.2-117.0 -56.6 153.4 27.6 74.3 22.2 25 25 A A T 3 S+ 0 0 85 1,-0.3 -1,-0.1 56,-0.2 -2,-0.0 0.667 115.7 32.0 -67.2 -17.1 24.6 76.4 21.3 26 26 A D T 3 S+ 0 0 139 3,-0.1 2,-0.4 99,-0.0 -1,-0.3 -0.372 87.6 173.1-135.8 50.4 25.7 76.5 17.6 27 27 A A < - 0 0 10 -3,-1.2 3,-0.1 1,-0.2 -4,-0.0 -0.495 25.1-175.9 -72.3 121.8 27.4 73.2 17.3 28 28 A K S S- 0 0 107 1,-0.4 22,-2.6 -2,-0.4 21,-1.8 0.895 72.8 -50.4 -76.8 -42.0 28.5 72.0 13.9 29 29 A S B -C 48 0A 10 19,-0.2 96,-2.4 20,-0.2 -1,-0.4 -0.965 50.8-145.7 179.5 170.7 29.5 68.7 15.5 30 30 A F E -D 124 0A 1 17,-1.5 2,-0.3 -2,-0.3 94,-0.3 -0.986 13.8-155.9-152.6 154.0 31.5 67.1 18.4 31 31 A L E -D 123 0A 36 92,-3.2 92,-1.6 -2,-0.3 2,-0.4 -0.900 15.1-158.9-137.4 165.6 33.5 63.9 18.9 32 32 A L E -DE 122 45A 1 13,-2.2 13,-2.6 -2,-0.3 2,-0.5 -0.986 15.1-165.8-141.1 122.4 34.8 61.4 21.4 33 33 A N E +DE 121 44A 21 88,-2.6 88,-1.3 -2,-0.4 2,-0.4 -0.966 9.7 176.0-116.7 123.3 37.9 59.2 20.5 34 34 A L E +DE 120 43A 1 9,-2.1 8,-1.7 -2,-0.5 9,-1.5 -0.952 30.0 81.8-124.2 146.8 38.8 56.1 22.5 35 35 A G E S-DE 119 41A 0 84,-1.7 84,-2.0 -2,-0.4 83,-0.8 -0.972 88.8 -49.5 162.7-148.9 41.5 53.6 21.9 36 36 A K E S- 0 0 122 4,-2.4 2,-0.3 1,-0.3 5,-0.1 0.695 107.8 -31.5 -92.5 -27.6 45.3 53.1 22.5 37 37 A D E > S- E 0 40A 47 3,-1.0 3,-1.6 82,-0.1 -1,-0.3 -0.954 80.1 -67.6-173.3-178.2 46.4 56.5 21.1 38 38 A D T 3 S+ 0 0 92 -2,-0.3 3,-0.2 1,-0.3 -4,-0.0 0.707 130.9 41.4 -60.0 -24.7 45.6 59.2 18.5 39 39 A N T 3 S+ 0 0 71 1,-0.2 27,-2.0 26,-0.1 -1,-0.3 0.259 112.3 56.1-107.0 6.8 46.4 56.9 15.6 40 40 A N E < +E 37 0A 25 -3,-1.6 -4,-2.4 24,-0.2 -3,-1.0 -0.645 67.1 160.4-140.9 81.7 44.8 53.7 17.0 41 41 A L E -EF 35 63A 4 22,-1.7 22,-2.0 -6,-0.2 -6,-0.3 -0.847 29.0-169.3-106.8 139.6 41.1 54.2 17.8 42 42 A C E S+ 0 0 2 -8,-1.7 2,-0.3 -2,-0.4 69,-0.3 0.615 86.0 27.2 -96.6 -17.4 38.5 51.5 18.3 43 43 A L E -E 34 0A 0 -9,-1.5 -9,-2.1 20,-0.1 2,-0.8 -0.898 53.2-179.5-150.7 115.9 35.7 54.1 18.4 44 44 A H E -EF 33 61A 20 17,-1.8 2,-0.8 -2,-0.3 17,-0.6 -0.926 20.9-167.7-111.5 89.7 35.6 57.6 16.8 45 45 A F E +EF 32 60A 0 -13,-2.6 -13,-2.2 -2,-0.8 15,-0.2 -0.814 14.1 169.6 -83.4 113.4 32.1 58.6 18.0 46 46 A N E - F 0 59A 6 13,-2.4 13,-1.8 -2,-0.8 2,-0.5 -0.687 20.3-163.0-134.9 82.1 31.2 61.7 16.0 47 47 A P E - F 0 58A 0 0, 0.0 -17,-1.5 0, 0.0 2,-0.6 -0.515 17.0-153.7 -65.1 114.3 27.7 63.1 16.2 48 48 A R E +CF 29 57A 20 9,-2.5 9,-2.2 -2,-0.5 -19,-0.2 -0.836 23.7 174.1 -97.4 120.4 27.3 65.4 13.2 49 49 A F E S- 0 0 12 -21,-1.8 7,-1.8 -2,-0.6 -20,-0.2 0.869 84.2 -17.6 -85.6 -46.7 24.8 68.3 13.4 50 50 A N E S+ F 0 55A 109 -22,-2.6 2,-0.3 5,-0.2 5,-0.2 -0.493 106.3 91.5-163.9 80.4 25.8 70.0 10.2 51 51 A A + 0 0 11 3,-2.3 3,-0.5 -2,-0.1 -3,-0.1 -0.990 62.6 27.7-168.8 165.6 29.2 69.0 8.7 52 52 A H S S- 0 0 128 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.737 129.4 -50.7 46.8 36.7 31.3 66.9 6.5 53 53 A G S S+ 0 0 78 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.921 119.5 108.5 70.7 43.4 28.4 66.2 4.1 54 54 A D - 0 0 23 -3,-0.5 -3,-2.3 5,-0.0 2,-0.4 -0.987 47.6-166.0-152.4 143.5 26.2 65.2 7.0 55 55 A V E S-F 50 0A 92 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.2 -0.999 76.0 -20.7-135.1 126.7 23.2 66.7 8.8 56 56 A N E S+ 0 0 81 -7,-1.8 2,-0.4 -2,-0.4 -7,-0.2 0.840 100.9 126.7 38.8 54.9 21.9 65.4 12.2 57 57 A T E -F 48 0A 32 -9,-2.2 -9,-2.5 -11,-0.1 2,-0.5 -0.999 58.2-130.1-140.8 135.1 23.6 62.0 11.7 58 58 A I E -FG 47 74A 0 16,-2.0 16,-1.7 -2,-0.4 2,-0.5 -0.752 22.9-164.3 -87.1 126.7 26.0 60.1 14.0 59 59 A V E -FG 46 73A 4 -13,-1.8 -13,-2.4 -2,-0.5 2,-0.3 -0.957 8.3-179.6-115.2 128.0 29.1 58.9 12.4 60 60 A C E +FG 45 72A 0 12,-2.3 12,-1.5 -2,-0.5 2,-0.3 -0.853 9.5 156.0-119.9 158.0 31.3 56.3 14.0 61 61 A N E -F 44 0A 5 -17,-0.6 -17,-1.8 -2,-0.3 2,-0.2 -0.959 31.7-125.3-173.8 158.0 34.6 54.8 12.7 62 62 A S E - 0 0 9 -2,-0.3 7,-0.8 8,-0.3 -20,-0.2 -0.417 16.5-152.9 -99.7-176.2 37.8 53.0 13.7 63 63 A K E -FH 41 68A 39 -22,-2.0 -22,-1.7 5,-0.2 2,-0.4 -0.649 7.8-172.6-166.4 100.2 41.3 54.1 12.9 64 64 A D E > S- H 0 67A 96 3,-1.6 3,-2.2 -24,-0.2 -24,-0.2 -0.844 78.3 -18.0 -99.6 131.1 44.3 51.7 12.6 65 65 A A T 3 S- 0 0 80 -2,-0.4 -1,-0.2 1,-0.3 -25,-0.2 0.811 127.7 -54.9 42.1 40.5 47.7 53.3 12.2 66 66 A G T 3 S+ 0 0 26 -27,-2.0 2,-0.4 -3,-0.3 -1,-0.3 0.017 111.1 121.9 88.3 -29.9 46.1 56.5 11.1 67 67 A A E < -H 64 0A 64 -3,-2.2 -3,-1.6 -28,-0.2 -1,-0.2 -0.534 58.1-138.3 -71.4 121.9 44.1 54.8 8.3 68 68 A W E -H 63 0A 127 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.2 -0.115 20.7-147.8 -67.9 176.0 40.4 55.4 8.8 69 69 A G - 0 0 33 -7,-0.8 2,-0.3 1,-0.1 -1,-0.1 -0.601 39.5 -41.7-131.2-164.7 38.1 52.5 8.2 70 70 A A - 0 0 71 -2,-0.2 -8,-0.3 1,-0.1 -1,-0.1 -0.491 63.5-131.7 -67.6 125.7 34.6 51.8 6.9 71 71 A E - 0 0 101 -2,-0.3 2,-0.3 -10,-0.1 -10,-0.2 -0.270 17.9-159.6 -72.9 165.2 32.2 54.4 8.3 72 72 A Q E -G 60 0A 52 -12,-1.5 -12,-2.3 2,-0.0 2,-0.3 -0.985 6.2-154.9-145.1 138.7 28.9 53.5 10.0 73 73 A R E -G 59 0A 102 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.888 7.7-159.8-123.0 154.4 26.0 55.8 10.5 74 74 A E E -G 58 0A 31 -16,-1.7 -16,-2.0 -2,-0.3 -2,-0.0 -1.000 10.4-156.2-130.8 127.3 23.1 56.0 12.9 75 75 A S + 0 0 115 -2,-0.4 2,-0.4 -18,-0.2 -1,-0.1 0.679 69.2 101.1 -74.6 -21.6 19.9 57.9 12.2 76 76 A A + 0 0 28 -18,-0.1 -18,-0.2 1,-0.1 -2,-0.1 -0.546 44.7 168.4 -67.1 122.4 19.1 58.2 15.9 77 77 A F + 0 0 33 -2,-0.4 -1,-0.1 -20,-0.1 -2,-0.0 -0.590 12.5 167.3-141.2 77.5 20.1 61.7 17.0 78 78 A P + 0 0 33 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.144 43.2 119.5 -76.2 22.5 18.9 62.7 20.5 79 79 A F - 0 0 7 6,-0.0 6,-0.0 -23,-0.0 -23,-0.0 -0.808 43.9-169.0-101.5 121.7 21.2 65.7 20.6 80 80 A Q - 0 0 138 -2,-0.6 -57,-0.2 -57,-0.0 5,-0.0 -0.915 35.3-109.3-105.3 119.2 19.7 69.2 20.9 81 81 A P S S+ 0 0 73 0, 0.0 -56,-0.2 0, 0.0 -57,-0.1 -0.173 101.5 25.7 -48.5 134.0 22.3 72.0 20.3 82 82 A G S S+ 0 0 43 -58,-1.4 2,-0.3 1,-0.2 -58,-0.2 0.996 97.2 111.8 72.9 69.5 23.1 73.7 23.6 83 83 A S E S-O 23 0B 27 -60,-0.7 -60,-2.6 -59,-0.0 2,-0.8 -0.961 71.1-103.8-167.5 152.4 22.4 71.0 26.2 84 84 A V E +O 22 0B 82 -2,-0.3 -62,-0.3 -62,-0.2 2,-0.2 -0.758 48.2 177.3 -85.6 111.5 24.0 68.8 28.7 85 85 A V E -O 21 0B 8 -64,-2.3 -64,-2.6 -2,-0.8 2,-0.3 -0.622 13.7-158.4-110.9 170.8 24.1 65.3 27.2 86 86 A E E -O 20 0B 55 -66,-0.2 2,-0.3 -2,-0.2 -66,-0.2 -0.993 6.8-175.4-152.1 144.9 25.6 62.0 28.4 87 87 A V E -O 19 0B 4 -68,-2.3 -68,-2.2 -2,-0.3 2,-0.4 -0.947 12.1-147.7-138.2 155.7 26.7 58.7 26.8 88 88 A C E -OQ 18 99B 19 11,-1.5 11,-2.3 -2,-0.3 2,-0.4 -0.970 11.2-169.9-125.8 144.1 27.9 55.4 28.2 89 89 A I E +OQ 17 98B 2 -72,-2.5 -72,-2.5 -2,-0.4 2,-0.3 -0.985 13.5 158.2-140.6 123.2 30.4 53.0 26.5 90 90 A S E - 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