==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING PROTEIN 07-MAR-10 3M2M . COMPND 2 MOLECULE: GALECTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Y.D.LOBSANOV,J.M.RINI,H.LEFFLER . 1026 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 791 77.1 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 . 569 55.5 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 . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 29 2.8 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 . 130 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 5.4 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 . 9 10 13 16 17 11 15 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 4 0 0 0 0 0 4 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 3 A G 0 0 63 0, 0.0 120,-0.1 0, 0.0 139,-0.1 0.000 360.0 360.0 360.0 145.0 10.7 -1.4 0.7 2 4 A L - 0 0 21 117,-0.1 118,-2.3 139,-0.1 2,-0.4 -0.306 360.0-162.3 -60.4 133.6 7.0 -0.5 1.3 3 5 A V E -AB 119 138A 31 135,-2.2 135,-2.9 116,-0.2 2,-0.4 -0.972 7.9-176.1-123.2 131.0 5.7 -0.9 4.8 4 6 A A E +AB 118 137A 5 114,-2.8 114,-1.8 -2,-0.4 2,-0.2 -0.985 4.3 177.1-130.5 126.5 2.0 -1.1 5.8 5 7 A S E +AB 117 136A 47 131,-2.5 131,-2.0 -2,-0.4 112,-0.2 -0.755 59.2 37.2-121.2 168.7 0.6 -1.4 9.3 6 8 A N E S+ 0 0 92 110,-1.0 2,-0.9 1,-0.3 111,-0.2 0.233 70.6 136.9 76.5 -17.3 -2.8 -1.5 10.8 7 9 A L E - 0 0 7 109,-0.7 2,-1.2 129,-0.2 -1,-0.3 -0.505 45.1-155.8 -62.6 105.0 -4.1 -3.5 7.9 8 10 A N E - 0 0 81 -2,-0.9 2,-0.5 -3,-0.1 108,-0.2 -0.692 11.7-172.3 -94.1 91.4 -6.1 -6.0 10.0 9 11 A L E -A 115 0A 9 106,-2.4 106,-1.5 -2,-1.2 3,-0.1 -0.696 8.6-159.5 -81.8 122.8 -6.5 -9.1 8.0 10 12 A K > - 0 0 118 -2,-0.5 3,-2.6 104,-0.2 79,-0.2 -0.764 37.9 -74.4-102.8 149.9 -8.9 -11.5 9.7 11 13 A P T 3 S+ 0 0 47 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 -0.069 120.9 27.3 -42.2 133.7 -8.9 -15.2 9.0 12 14 A G T 3 S+ 0 0 60 77,-2.7 78,-0.1 1,-0.4 2,-0.1 0.058 92.4 118.9 99.6 -27.2 -10.5 -16.0 5.6 13 15 A E < - 0 0 46 -3,-2.6 76,-0.6 76,-0.1 2,-0.5 -0.389 57.0-135.7 -73.7 153.7 -9.6 -12.7 4.0 14 16 A C E -P 88 0B 24 118,-2.6 118,-1.6 74,-0.2 2,-0.6 -0.947 10.4-160.9-116.9 126.8 -7.3 -12.6 1.0 15 17 A L E -PQ 87 131B 5 72,-2.7 72,-2.3 -2,-0.5 2,-0.5 -0.930 9.5-164.7-106.5 118.5 -4.4 -10.2 0.5 16 18 A K E -PQ 86 130B 27 114,-2.1 114,-2.8 -2,-0.6 2,-0.4 -0.909 3.7-170.5-107.2 127.8 -3.2 -9.8 -3.1 17 19 A V E -PQ 85 129B 0 68,-2.8 68,-2.5 -2,-0.5 2,-0.4 -0.969 2.7-174.1-118.9 131.1 0.1 -8.2 -3.8 18 20 A R E +PQ 84 128B 94 110,-2.4 109,-2.7 -2,-0.4 110,-1.9 -0.977 18.9 134.4-125.7 137.0 1.2 -7.2 -7.3 19 21 A G E -PQ 83 126B 0 64,-2.9 64,-2.8 -2,-0.4 2,-0.5 -0.977 46.0 -96.0-165.4 177.3 4.6 -5.9 -8.3 20 22 A E E -PQ 82 125B 77 105,-2.5 105,-2.3 -2,-0.3 62,-0.3 -0.933 28.3-132.5-116.7 130.8 7.5 -6.0 -10.8 21 23 A L E - Q 0 124B 3 60,-2.9 103,-0.2 -2,-0.5 60,-0.2 -0.523 32.3-106.6 -75.5 137.7 10.7 -7.9 -10.4 22 24 A A > - 0 0 28 101,-1.8 58,-2.4 -2,-0.2 3,-1.8 -0.239 32.7-109.0 -60.1 154.2 14.0 -6.1 -11.1 23 25 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.741 120.8 33.5 -58.1 -25.1 15.7 -7.1 -14.4 24 26 A D T 3 S- 0 0 100 55,-0.1 -2,-0.1 99,-0.0 99,-0.0 -0.188 88.5-178.4-124.0 38.0 18.5 -8.9 -12.4 25 27 A A < + 0 0 7 -3,-1.8 3,-0.1 1,-0.2 -4,-0.0 -0.118 15.6 174.0 -45.7 120.6 16.4 -10.0 -9.5 26 28 A K - 0 0 109 1,-0.4 22,-2.6 21,-0.1 21,-0.8 0.770 66.9 -40.2 -96.4 -36.8 18.5 -11.9 -6.9 27 29 A S B -C 46 0A 25 19,-0.2 96,-2.4 20,-0.2 -1,-0.4 -0.888 52.9-154.5 177.3 154.2 15.6 -12.2 -4.4 28 30 A F E -D 122 0A 0 17,-1.5 2,-0.3 94,-0.3 94,-0.3 -0.933 12.4-139.0-139.6 164.1 12.7 -10.3 -2.9 29 31 A V E -D 121 0A 15 92,-3.9 92,-2.2 -2,-0.3 2,-0.4 -0.932 14.7-173.7-132.7 154.2 10.8 -10.4 0.4 30 32 A L E -DE 120 43A 2 13,-1.0 13,-2.9 -2,-0.3 2,-0.4 -0.964 16.3-168.3-141.6 115.9 7.3 -10.2 1.8 31 33 A N E -DE 119 42A 24 88,-2.9 88,-1.8 -2,-0.4 2,-0.4 -0.930 5.4-178.7-115.0 135.7 6.8 -10.1 5.6 32 34 A L E +DE 118 41A 2 9,-2.4 9,-1.9 -2,-0.4 8,-1.7 -0.991 32.6 80.2-131.4 138.5 3.5 -10.6 7.4 33 35 A G E S-DE 117 39A 0 84,-1.6 83,-2.8 -2,-0.4 84,-2.4 -0.927 86.7 -54.5 169.3-143.7 2.8 -10.4 11.2 34 36 A K E S- 0 0 88 4,-2.5 2,-0.3 1,-0.4 -28,-0.2 0.764 108.3 -19.9 -99.5 -36.3 2.3 -8.0 14.1 35 37 A D E > S- E 0 38A 64 3,-0.7 3,-1.9 82,-0.1 -1,-0.4 -0.936 84.3 -73.8-160.8 174.7 5.4 -6.0 13.7 36 38 A S T 3 S+ 0 0 50 -2,-0.3 3,-0.2 1,-0.3 -4,-0.0 0.715 129.8 44.0 -53.1 -24.1 8.9 -6.2 12.2 37 39 A N T 3 S+ 0 0 13 1,-0.2 27,-2.6 26,-0.1 2,-0.3 0.447 108.5 57.7-103.2 -0.5 10.0 -8.7 14.9 38 40 A N E < +E 35 0A 38 -3,-1.9 -4,-2.5 25,-0.2 -3,-0.7 -0.691 66.3 167.1-133.2 82.6 7.0 -10.9 15.0 39 41 A L E -EF 33 61A 3 22,-0.7 22,-2.4 -2,-0.3 -6,-0.3 -0.830 27.5-170.7-102.3 126.6 6.3 -12.4 11.6 40 42 A C E S+ 0 0 1 -8,-1.7 2,-0.3 -2,-0.5 69,-0.3 0.662 86.3 28.7 -82.9 -17.8 3.9 -15.3 11.0 41 43 A L E -E 32 0A 0 -9,-1.9 -9,-2.4 67,-0.1 2,-0.5 -0.957 54.9-177.0-150.0 128.7 5.2 -15.4 7.4 42 44 A H E -EF 31 59A 21 17,-1.8 2,-1.0 -2,-0.3 17,-0.6 -0.927 15.7-166.8-122.7 98.4 8.6 -14.6 5.8 43 45 A F E +EF 30 58A 0 -13,-2.9 -13,-1.0 -2,-0.5 15,-0.2 -0.759 17.1 165.1 -92.6 96.7 8.1 -15.2 2.0 44 46 A N E - F 0 57A 7 13,-2.5 13,-1.9 -2,-1.0 2,-0.3 -0.704 13.3-174.9-116.6 81.4 11.6 -15.1 0.6 45 47 A P E - F 0 56A 0 0, 0.0 -17,-1.5 0, 0.0 2,-0.6 -0.614 14.6-154.4 -75.9 133.1 11.9 -16.5 -2.9 46 48 A R E -CF 27 55A 21 9,-3.2 9,-1.8 -2,-0.3 -19,-0.2 -0.913 23.7-179.6-115.0 108.8 15.5 -16.6 -4.0 47 49 A F E S- 0 0 14 -21,-0.8 7,-1.6 -2,-0.6 -20,-0.2 0.917 90.5 -19.8 -65.9 -42.3 16.4 -16.4 -7.7 48 50 A N E S+ F 0 53A 102 -22,-2.6 2,-0.3 5,-0.3 -1,-0.2 -0.541 98.6 112.3-169.8 95.6 20.1 -16.6 -6.5 49 51 A A E > + F 0 52A 22 3,-2.3 3,-1.7 -3,-0.2 -3,-0.1 -0.950 67.0 16.9-168.4 147.3 21.2 -15.8 -3.0 50 52 A H T 3 S- 0 0 154 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.654 130.4 -56.2 62.7 17.4 22.6 -17.3 0.2 51 53 A G T 3 S+ 0 0 77 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.528 115.5 112.1 93.2 7.0 23.6 -20.3 -1.8 52 54 A D E < -F 49 0A 31 -3,-1.7 -3,-2.3 3,-0.1 2,-0.4 -0.931 45.3-166.6-117.5 138.2 20.1 -21.0 -3.1 53 55 A A E -F 48 0A 58 -2,-0.4 -5,-0.3 -5,-0.2 -6,-0.2 -0.958 69.0 -9.7-124.6 142.1 18.8 -20.7 -6.7 54 56 A N E S+ 0 0 95 -7,-1.6 2,-0.4 -2,-0.4 -7,-0.2 0.837 100.3 125.5 40.7 47.9 15.2 -20.7 -7.9 55 57 A T E -F 46 0A 21 -9,-1.8 -9,-3.2 -3,-0.1 2,-0.5 -0.997 57.1-135.4-137.9 138.4 13.9 -21.7 -4.5 56 58 A I E -FG 45 72A 0 16,-2.0 16,-2.5 -2,-0.4 2,-0.5 -0.810 19.0-161.6 -93.8 125.9 11.3 -20.2 -2.2 57 59 A V E -FG 44 71A 2 -13,-1.9 -13,-2.5 -2,-0.5 2,-0.3 -0.943 8.5-173.1-111.6 122.7 12.3 -20.0 1.4 58 60 A C E +FG 43 70A 0 12,-2.6 12,-1.8 -2,-0.5 2,-0.3 -0.783 14.2 145.8-111.0 157.0 9.6 -19.6 4.1 59 61 A N E -F 42 0A 6 -17,-0.6 -17,-1.8 -2,-0.3 2,-0.3 -0.977 34.0-124.3-172.5 173.6 10.0 -19.0 7.8 60 62 A S E - 0 0 6 -2,-0.3 7,-2.0 -19,-0.2 2,-0.4 -0.916 16.2-144.7-130.2 156.8 8.5 -17.2 10.9 61 63 A K E -FH 39 66A 19 -22,-2.4 -22,-0.7 -2,-0.3 2,-0.6 -0.990 6.9-164.8-128.9 129.4 10.1 -14.9 13.4 62 64 A D E > S- H 0 65A 90 3,-2.6 3,-2.4 -2,-0.4 -24,-0.2 -0.946 76.5 -28.9-116.4 115.4 9.4 -14.7 17.1 63 65 A D T 3 S- 0 0 70 -2,-0.6 527,-0.5 1,-0.3 -25,-0.2 0.875 128.7 -46.0 47.4 41.4 10.5 -11.6 19.0 64 66 A G T 3 S+ 0 0 1 -27,-2.6 2,-0.5 1,-0.2 -1,-0.3 0.240 115.5 108.9 91.5 -14.6 13.4 -11.3 16.5 65 67 A T E < -H 62 0A 75 -3,-2.4 -3,-2.6 -28,-0.2 -1,-0.2 -0.845 66.1-122.5-103.4 132.1 14.6 -14.9 16.3 66 68 A W E -H 61 0A 126 -2,-0.5 -5,-0.2 -5,-0.2 2,-0.1 -0.217 20.6-144.5 -66.0 156.5 14.0 -17.0 13.2 67 69 A G - 0 0 34 -7,-2.0 2,-0.3 1,-0.2 -1,-0.1 -0.108 45.1 -48.7-101.7-157.6 12.2 -20.3 13.2 68 70 A T - 0 0 107 -2,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.626 59.7-120.6 -81.0 134.4 12.7 -23.5 11.2 69 71 A E - 0 0 84 -2,-0.3 2,-0.5 -10,-0.1 -10,-0.2 -0.525 22.4-166.5 -78.5 139.2 13.1 -23.0 7.4 70 72 A Q E -G 58 0A 51 -12,-1.8 -12,-2.6 -2,-0.2 2,-0.4 -0.993 11.4-156.8-124.4 121.5 10.7 -24.7 5.0 71 73 A R E -G 57 0A 106 -2,-0.5 2,-0.5 -14,-0.2 -14,-0.2 -0.838 4.5-156.0-107.6 139.9 11.7 -24.7 1.3 72 74 A E E -G 56 0A 46 -16,-2.5 -16,-2.0 -2,-0.4 -2,-0.0 -0.937 9.2-156.4-115.5 132.3 9.5 -25.0 -1.7 73 75 A T + 0 0 134 -2,-0.5 -1,-0.1 -18,-0.2 -2,-0.0 0.831 67.7 98.1 -71.8 -35.6 10.7 -26.3 -5.0 74 76 A A + 0 0 23 1,-0.1 -18,-0.3 -19,-0.1 -2,-0.1 -0.289 46.2 170.2 -55.4 134.6 8.0 -24.5 -7.1 75 77 A F + 0 0 34 -20,-0.1 2,-1.5 -30,-0.0 -1,-0.1 -0.455 13.6 169.9-153.8 74.4 9.3 -21.3 -8.6 76 78 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.272 43.9 116.7 -82.7 53.2 7.2 -19.5 -11.2 77 79 A F - 0 0 11 -2,-1.5 6,-0.0 6,-0.1 5,-0.0 -0.929 39.2-174.1-126.8 149.4 9.2 -16.2 -11.3 78 80 A Q > - 0 0 140 -2,-0.3 3,-0.6 3,-0.0 -57,-0.3 -1.000 30.7-108.5-139.5 137.4 11.3 -14.4 -13.9 79 81 A P T 3 S+ 0 0 64 0, 0.0 -57,-0.1 0, 0.0 3,-0.1 -0.176 99.1 20.3 -60.9 157.4 13.5 -11.3 -13.6 80 82 A G T 3 S+ 0 0 51 -58,-2.4 2,-0.3 1,-0.2 -58,-0.2 0.827 104.7 103.7 51.8 39.3 12.3 -8.0 -15.1 81 83 A S S < S- 0 0 33 -3,-0.6 -60,-2.9 -59,-0.2 2,-0.4 -0.860 70.4-108.6-138.9 172.5 8.6 -9.1 -15.2 82 84 A I E +P 20 0B 81 -2,-0.3 2,-0.3 -62,-0.3 -62,-0.3 -0.903 41.6 155.6-110.5 135.6 5.4 -8.4 -13.2 83 85 A T E -P 19 0B 16 -64,-2.8 -64,-2.9 -2,-0.4 2,-0.3 -0.849 23.7-145.2-142.9 179.8 3.8 -10.9 -10.9 84 86 A E E -P 18 0B 45 -2,-0.3 2,-0.4 -66,-0.3 -66,-0.3 -0.978 3.9-148.4-150.1 156.0 1.5 -11.2 -8.0 85 87 A V E -P 17 0B 1 -68,-2.5 -68,-2.8 -2,-0.3 2,-0.4 -0.992 8.2-152.5-130.1 136.3 1.1 -13.3 -4.9 86 88 A X E -PR 16 97B 29 11,-1.9 11,-3.4 -2,-0.4 2,-0.4 -0.938 15.6-172.5-110.0 130.2 -2.2 -14.1 -3.2 87 89 A I E +PR 15 96B 7 -72,-2.3 -72,-2.7 -2,-0.4 2,-0.3 -0.990 8.0 171.2-129.0 130.1 -2.1 -14.9 0.6 88 90 A T E -PR 14 95B 44 7,-1.6 7,-2.4 -2,-0.4 2,-0.3 -0.811 10.6-167.8-126.9 168.4 -4.9 -16.2 2.8 89 91 A F E + R 0 94B 8 -76,-0.6 -77,-2.7 -2,-0.3 2,-0.3 -0.999 18.2 166.2-160.2 163.0 -4.9 -17.4 6.4 90 92 A D - 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