==== 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 1SLB . COMPND 2 MOLECULE: BOVINE GALECTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Y.BOURNE,C.CAMBILLAU . 536 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 78.0 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 . 289 53.9 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 . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 0.4 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 . 77 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 6.2 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 . 5 6 9 5 8 5 6 5 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 2 0 0 0 0 0 2 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 79 0, 0.0 122,-0.2 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 129.2 40.8 5.3 43.7 2 2 A C + 0 0 77 122,-0.1 121,-0.2 119,-0.1 2,-0.1 -0.833 360.0 113.1-127.4 57.8 40.0 6.2 47.0 3 3 A G S S- 0 0 25 119,-2.1 141,-0.1 1,-0.4 139,-0.1 -0.502 79.2 -3.0-109.0-127.5 36.3 6.8 47.5 4 4 A L - 0 0 22 117,-0.1 118,-2.7 139,-0.1 2,-0.4 -0.025 64.9-167.8 -53.1 135.6 34.2 4.5 49.7 5 5 A V E -AB 121 142A 25 137,-1.9 137,-2.7 116,-0.2 2,-0.5 -0.974 6.7-178.8-134.6 116.7 36.1 1.6 51.2 6 6 A A E +AB 120 141A 6 114,-3.0 114,-2.8 -2,-0.4 135,-0.2 -0.981 13.4 166.4-118.7 121.5 34.2 -1.2 52.9 7 7 A S E +AB 119 140A 40 133,-2.8 133,-1.9 -2,-0.5 112,-0.2 -0.689 48.0 53.1-125.2-179.4 36.3 -4.0 54.5 8 8 A N E S+ 0 0 89 110,-0.7 2,-0.2 -2,-0.2 111,-0.2 0.853 76.7 145.8 58.5 35.1 35.8 -6.9 56.8 9 9 A L E - 0 0 12 109,-1.5 -1,-0.2 -3,-0.2 107,-0.0 -0.523 42.6-155.4 -92.2 167.9 33.0 -8.1 54.6 10 10 A N E + 0 0 91 -2,-0.2 2,-0.6 -3,-0.1 108,-0.2 -0.367 20.4 170.5-143.8 57.3 32.2 -11.7 54.1 11 11 A L E -A 117 0A 2 106,-2.2 106,-2.6 3,-0.0 108,-0.1 -0.639 17.2-175.2 -71.4 115.1 30.4 -11.8 50.8 12 12 A K > - 0 0 108 -2,-0.6 3,-2.1 104,-0.2 79,-0.2 -0.789 37.4 -71.5-113.3 160.6 30.2 -15.5 50.0 13 13 A P T 3 S+ 0 0 53 0, 0.0 79,-0.2 0, 0.0 3,-0.1 -0.239 119.0 39.1 -53.1 127.0 29.0 -17.4 47.0 14 14 A G T 3 S+ 0 0 78 77,-0.7 2,-0.1 1,-0.6 78,-0.1 -0.098 93.9 95.1 124.1 -34.5 25.2 -17.1 46.8 15 15 A E < - 0 0 56 -3,-2.1 76,-0.9 76,-0.1 -1,-0.6 -0.396 67.1-133.2 -83.7 165.9 24.8 -13.5 48.0 16 16 A C E -P 90 0B 31 74,-0.2 118,-2.6 -2,-0.1 2,-0.7 -0.986 4.6-147.9-126.4 126.6 24.5 -10.6 45.6 17 17 A L E -PQ 89 133B 0 72,-2.3 72,-2.0 -2,-0.4 2,-0.6 -0.859 18.1-169.9 -94.7 116.1 26.4 -7.3 45.9 18 18 A R E -PQ 88 132B 54 114,-2.9 114,-2.9 -2,-0.7 2,-0.5 -0.933 5.2-178.6-112.1 114.8 24.2 -4.5 44.6 19 19 A V E -PQ 87 131B 0 68,-2.7 68,-2.7 -2,-0.6 2,-0.4 -0.958 3.8-176.2-116.4 132.5 25.9 -1.1 44.1 20 20 A R E +PQ 86 130B 99 110,-3.1 109,-2.3 -2,-0.5 110,-2.2 -0.983 16.8 155.7-125.6 135.5 24.1 2.0 42.9 21 21 A G E -PQ 85 128B 0 64,-2.8 64,-2.7 -2,-0.4 2,-0.6 -0.989 41.9-107.1-157.0 167.8 25.9 5.2 42.3 22 22 A E E -PQ 84 127B 89 105,-2.9 105,-1.1 -2,-0.3 2,-0.5 -0.862 28.0-146.4-103.7 120.6 26.0 8.5 40.5 23 23 A V E -PQ 83 126B 0 60,-3.1 59,-1.4 -2,-0.6 60,-0.6 -0.776 29.6-110.1 -88.9 126.5 28.5 8.9 37.7 24 24 A A > - 0 0 38 101,-2.3 58,-1.3 -2,-0.5 3,-0.9 0.055 14.3-121.0 -50.3 160.5 29.9 12.5 37.4 25 25 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 56,-0.3 -2,-0.0 0.837 116.7 43.5 -73.8 -35.0 29.1 14.8 34.5 26 26 A D T 3 S+ 0 0 131 55,-0.0 2,-0.4 99,-0.0 -1,-0.3 -0.316 88.9 163.1-103.4 45.9 32.8 15.2 33.6 27 27 A A < + 0 0 12 -3,-0.9 3,-0.1 1,-0.2 -4,-0.0 -0.561 22.1 165.6 -76.4 120.0 33.3 11.4 34.0 28 28 A K S S- 0 0 84 1,-0.5 22,-2.0 -2,-0.4 21,-1.9 0.708 71.9 -37.4 -97.0 -35.1 36.4 9.9 32.5 29 29 A S B -C 48 0A 18 19,-0.3 96,-3.4 20,-0.2 -1,-0.5 -0.968 50.7-156.7-175.8 171.5 36.0 6.7 34.4 30 30 A F E -D 124 0A 1 17,-1.6 2,-0.3 94,-0.3 94,-0.3 -0.930 14.6-154.1-152.6 167.7 35.0 5.0 37.7 31 31 A L E -D 123 0A 21 92,-2.2 92,-1.5 -2,-0.3 2,-0.4 -0.998 16.1-156.8-156.4 151.9 35.8 1.8 39.4 32 32 A L E -DE 122 45A 2 13,-1.7 13,-2.6 -2,-0.3 2,-0.5 -0.995 18.8-157.5-125.4 128.6 34.7 -0.9 41.9 33 33 A N E -DE 121 44A 9 88,-2.9 88,-1.4 -2,-0.4 2,-0.4 -0.939 10.2-177.4-112.6 130.4 37.4 -3.1 43.5 34 34 A L E +DE 120 43A 1 9,-2.7 9,-2.0 -2,-0.5 8,-1.7 -0.990 33.7 78.1-127.0 133.7 36.6 -6.5 45.0 35 35 A G E S-DE 119 41A 0 84,-1.9 84,-1.9 -2,-0.4 83,-1.5 -0.943 86.6 -58.8 171.7-149.5 39.0 -8.8 46.8 36 36 A K E S- 0 0 109 4,-2.9 2,-0.3 1,-0.4 -28,-0.2 0.760 106.8 -31.2 -96.1 -36.2 40.8 -9.5 50.0 37 37 A D E > S- E 0 40A 62 3,-1.0 3,-1.6 82,-0.1 -1,-0.4 -0.905 84.3 -68.3-165.7-175.5 42.7 -6.2 50.3 38 38 A D T 3 S+ 0 0 73 1,-0.3 3,-0.2 -2,-0.3 -4,-0.0 0.712 130.5 47.1 -65.3 -18.8 44.1 -3.6 47.8 39 39 A N T 3 S+ 0 0 87 1,-0.2 27,-3.0 26,-0.1 -1,-0.3 0.335 110.6 54.1-101.1 2.1 46.9 -5.9 46.6 40 40 A N E < +E 37 0A 26 -3,-1.6 -4,-2.9 25,-0.2 -3,-1.0 -0.714 67.9 162.4-139.8 86.4 44.6 -8.9 46.1 41 41 A L E -EF 35 63A 0 22,-1.7 22,-2.4 -2,-0.3 -6,-0.3 -0.914 27.4-170.9-111.4 127.5 41.6 -8.1 43.9 42 42 A C E S+ 0 0 0 -8,-1.7 69,-0.4 -2,-0.5 2,-0.4 0.710 85.4 26.6 -84.0 -22.6 39.5 -10.8 42.2 43 43 A L E +E 34 0A 1 -9,-2.0 -9,-2.7 67,-0.1 2,-0.5 -0.986 52.4 179.6-146.8 133.2 37.8 -8.0 40.3 44 44 A H E -EF 33 61A 20 17,-1.0 17,-1.3 -2,-0.4 2,-0.7 -0.964 19.1-165.7-128.4 101.5 38.8 -4.5 39.2 45 45 A F E +EF 32 60A 1 -13,-2.6 -13,-1.7 -2,-0.5 15,-0.2 -0.873 13.0 173.5 -94.9 108.9 35.7 -3.2 37.3 46 46 A N E - F 0 59A 7 13,-2.7 13,-2.0 -2,-0.7 -15,-0.2 -0.705 12.8-170.4-124.3 79.9 36.9 -0.1 35.4 47 47 A P E - F 0 58A 0 0, 0.0 -17,-1.6 0, 0.0 2,-0.5 -0.542 15.9-160.9 -66.3 134.6 34.3 1.4 33.0 48 48 A R E +CF 29 57A 14 9,-2.3 9,-2.3 -19,-0.2 -19,-0.3 -0.959 26.7 175.6-128.0 116.4 36.2 4.0 31.0 49 49 A F E S- 0 0 15 -21,-1.9 7,-1.5 -2,-0.5 -20,-0.2 0.911 90.0 -16.7 -78.2 -46.2 34.5 6.9 29.1 50 50 A N E S+ F 0 55A 77 -22,-2.0 2,-0.3 5,-0.2 5,-0.2 -0.555 102.8 110.4-163.5 82.3 37.7 8.4 28.0 51 51 A A E > + F 0 54A 17 3,-2.3 3,-1.4 -3,-0.1 -3,-0.0 -0.973 68.1 10.9-161.6 147.9 40.8 7.3 30.0 52 52 A H T 3 S- 0 0 143 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.825 130.1 -52.3 51.2 43.1 44.0 5.3 29.6 53 53 A G T 3 S+ 0 0 85 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.733 114.7 121.0 69.5 21.4 43.6 5.0 25.8 54 54 A D E < -F 51 0A 11 -3,-1.4 -3,-2.3 3,-0.1 2,-0.5 -0.977 44.5-167.1-123.7 131.6 40.1 3.7 26.2 55 55 A V E S-F 50 0A 67 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.2 -0.976 77.7 -25.3-117.1 112.5 36.9 5.3 24.8 56 56 A N E S+ 0 0 73 -7,-1.5 2,-0.4 -2,-0.5 -7,-0.2 0.904 100.7 134.8 48.9 54.7 33.7 3.9 26.3 57 57 A T E -F 48 0A 32 -9,-2.3 -9,-2.3 -11,-0.1 2,-0.6 -0.983 53.0-134.1-134.8 142.2 35.2 0.6 27.2 58 58 A I E -F 47 0A 0 -2,-0.4 16,-2.1 16,-0.3 2,-0.5 -0.880 22.0-163.8 -97.3 119.5 34.8 -1.6 30.3 59 59 A V E -FG 46 73A 0 -13,-2.0 -13,-2.7 -2,-0.6 2,-0.4 -0.912 6.1-172.9-106.3 126.2 38.2 -2.9 31.5 60 60 A C E +FG 45 72A 0 12,-3.0 12,-2.7 -2,-0.5 2,-0.3 -0.924 14.1 152.7-118.0 146.0 38.2 -5.8 34.0 61 61 A N E -F 44 0A 4 -17,-1.3 -17,-1.0 -2,-0.4 2,-0.3 -0.987 31.2-129.8-164.6 163.5 41.3 -7.2 35.7 62 62 A S E - 0 0 6 -2,-0.3 7,-2.3 8,-0.3 2,-0.4 -0.754 10.9-148.3-116.7 165.8 42.6 -8.9 38.7 63 63 A K E -FH 41 68A 20 -22,-2.4 -22,-1.7 -2,-0.3 2,-0.5 -0.971 11.2-171.2-138.8 116.4 45.5 -8.2 41.0 64 64 A D E > S- H 0 67A 96 3,-2.6 3,-2.4 -2,-0.4 -24,-0.2 -0.966 75.2 -20.1-113.2 121.7 47.4 -11.0 42.6 65 65 A A T 3 S- 0 0 80 -2,-0.5 -25,-0.2 1,-0.3 -1,-0.2 0.876 129.1 -49.2 46.8 48.2 49.9 -10.0 45.3 66 66 A G T 3 S+ 0 0 36 -27,-3.0 2,-0.6 1,-0.2 -1,-0.3 0.200 116.2 113.3 81.9 -15.4 50.1 -6.4 44.0 67 67 A A E < -H 64 0A 60 -3,-2.4 -3,-2.6 -28,-0.3 -1,-0.2 -0.811 64.1-131.2 -98.3 123.0 50.6 -7.5 40.3 68 68 A W E -H 63 0A 127 -2,-0.6 -5,-0.2 -5,-0.2 2,-0.1 -0.236 22.2-144.6 -63.3 152.5 47.9 -6.8 37.8 69 69 A G - 0 0 33 -7,-2.3 2,-0.2 1,-0.2 -1,-0.1 -0.269 41.1 -50.9-105.0-163.7 46.8 -9.6 35.5 70 70 A A - 0 0 69 -2,-0.1 -8,-0.3 1,-0.1 2,-0.2 -0.501 62.0-120.4 -73.1 137.0 45.7 -9.8 31.9 71 71 A E - 0 0 99 -2,-0.2 2,-0.5 -10,-0.1 -10,-0.2 -0.536 18.3-156.6 -83.4 145.6 43.0 -7.2 31.0 72 72 A Q E -G 60 0A 54 -12,-2.7 -12,-3.0 -2,-0.2 2,-0.4 -0.975 7.4-160.2-120.7 123.7 39.5 -8.1 29.7 73 73 A R E -G 59 0A 107 -2,-0.5 -14,-0.2 -14,-0.2 2,-0.1 -0.913 14.8-133.3-106.3 138.6 37.6 -5.5 27.7 74 74 A E - 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