==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE BINDING PROTEIN 23-SEP-10 3OY8 . COMPND 2 MOLECULE: GALECTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.BLANCHARD,P.M.COLLINS . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 76.9 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 . 142 53.0 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 . 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 . 34 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.3 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 4 2 4 4 4 2 2 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 0 1 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,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 117.1 23.3 15.1 15.7 2 2 A C + 0 0 106 2,-0.1 121,-0.1 120,-0.0 3,-0.1 0.564 360.0 76.8 -88.3 -15.8 24.8 17.0 12.7 3 3 A G S S- 0 0 16 119,-0.7 141,-0.1 1,-0.2 124,-0.1 -0.295 101.6 -54.6 -89.2 174.5 21.2 17.1 11.4 4 4 A L - 0 0 19 140,-0.1 118,-2.2 117,-0.1 2,-0.5 -0.176 48.0-162.2 -49.4 130.6 18.1 19.1 12.3 5 5 A V E -AB 121 142A 26 137,-2.4 137,-2.7 116,-0.2 2,-0.4 -0.989 9.0-176.2-119.8 124.1 17.1 19.1 16.0 6 6 A A E +AB 120 141A 4 114,-3.5 114,-3.1 -2,-0.5 2,-0.3 -0.972 3.0 178.2-122.0 135.9 13.6 20.3 17.0 7 7 A S E +AB 119 140A 43 133,-2.8 133,-2.3 -2,-0.4 112,-0.2 -0.847 59.8 41.2-130.3 169.7 12.1 20.7 20.4 8 8 A N E + 0 0 62 110,-0.9 111,-0.2 -2,-0.3 -1,-0.1 0.817 63.9 149.6 58.8 35.6 8.7 21.8 21.8 9 9 A L E - 0 0 17 109,-1.2 109,-0.2 -3,-0.2 3,-0.1 0.825 35.3-160.1 -61.9 -33.3 6.9 19.9 19.0 10 10 A N E + 0 0 78 1,-0.2 2,-0.6 128,-0.1 108,-0.2 0.867 17.7 178.3 46.9 45.2 3.9 19.3 21.3 11 11 A L E -A 117 0A 1 106,-2.6 106,-2.4 4,-0.0 -1,-0.2 -0.680 10.7-159.9 -78.1 117.3 2.8 16.4 19.1 12 12 A K > - 0 0 98 -2,-0.6 3,-2.1 104,-0.2 79,-0.2 -0.562 31.7 -73.2 -97.8 161.1 -0.4 14.9 20.7 13 13 A P T 3 S+ 0 0 74 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 -0.226 120.4 22.1 -52.1 138.1 -2.0 11.4 20.3 14 14 A G T 3 S+ 0 0 65 77,-2.0 2,-0.2 1,-0.3 78,-0.1 0.188 95.7 121.2 86.6 -17.3 -3.7 11.0 16.9 15 15 A E < - 0 0 51 -3,-2.1 2,-0.5 76,-0.2 76,-0.4 -0.510 57.6-133.8 -78.6 149.0 -1.6 13.8 15.4 16 16 A X - 0 0 27 118,-1.1 118,-3.1 -2,-0.2 2,-0.5 -0.887 10.8-159.1-112.9 129.8 0.5 13.0 12.3 17 17 A L E -PQ 89 133B 0 72,-2.8 72,-2.8 -2,-0.5 2,-0.5 -0.946 10.7-165.6-107.6 125.5 4.1 14.1 11.8 18 18 A R E -PQ 88 132B 76 114,-2.6 114,-2.3 -2,-0.5 2,-0.5 -0.956 5.3-174.8-116.3 123.7 5.3 14.1 8.2 19 19 A V E -PQ 87 131B 1 68,-3.0 68,-2.6 -2,-0.5 2,-0.4 -0.976 2.2-173.3-121.1 125.5 9.0 14.2 7.4 20 20 A R E +PQ 86 130B 87 110,-2.8 109,-3.0 -2,-0.5 110,-1.8 -0.969 18.2 152.2-116.9 137.0 10.4 14.6 3.8 21 21 A G E -PQ 85 128B 0 64,-2.1 64,-2.9 -2,-0.4 2,-0.5 -0.976 42.8-105.4-156.2 165.3 14.1 14.4 3.1 22 22 A E E -PQ 84 127B 73 105,-2.4 105,-2.7 -2,-0.3 2,-0.5 -0.856 27.6-142.9 -98.4 125.9 16.8 13.5 0.5 23 23 A V E - Q 0 126B 3 60,-3.2 59,-0.6 -2,-0.5 60,-0.4 -0.783 30.4-110.9 -85.6 129.6 18.7 10.3 1.1 24 24 A A > - 0 0 26 101,-1.8 3,-1.5 -2,-0.5 58,-0.9 -0.227 18.5-122.0 -57.6 146.2 22.4 10.7 0.0 25 25 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.837 115.4 37.4 -60.6 -32.6 23.6 8.8 -3.1 26 26 A D T 3 S+ 0 0 131 55,-0.0 -2,-0.1 56,-0.0 99,-0.0 -0.080 89.9 160.9-108.2 32.8 26.3 7.0 -1.0 27 27 A A < + 0 0 11 -3,-1.5 3,-0.1 1,-0.1 -4,-0.0 -0.221 20.5 171.9 -57.2 137.6 24.1 6.7 2.1 28 28 A K - 0 0 133 1,-0.5 22,-2.5 21,-0.1 21,-1.5 0.652 67.0 -14.5-109.5 -34.2 25.1 4.1 4.7 29 29 A S B -C 48 0A 24 19,-0.2 96,-2.8 20,-0.2 -1,-0.5 -0.980 52.4-164.8-165.2 148.2 22.6 4.9 7.4 30 30 A F E -D 124 0A 0 17,-1.7 2,-0.4 -2,-0.3 94,-0.2 -0.984 10.6-150.3-142.1 160.4 20.2 7.5 8.7 31 31 A V E -D 123 0A 18 92,-2.7 92,-1.8 -2,-0.3 2,-0.4 -0.979 11.9-173.0-130.6 134.0 18.4 8.2 12.0 32 32 A L E -DE 122 45A 4 13,-2.6 13,-3.0 -2,-0.4 2,-0.5 -0.991 16.7-168.6-118.5 121.3 15.1 9.8 13.1 33 33 A N E +DE 121 44A 29 88,-3.3 88,-2.3 -2,-0.4 2,-0.4 -0.935 7.0 178.2-110.5 130.1 14.8 10.1 16.9 34 34 A L E +DE 120 43A 1 9,-2.8 9,-2.3 -2,-0.5 8,-1.0 -0.992 30.8 78.6-128.8 138.8 11.5 11.0 18.6 35 35 A G E S-DE 119 41A 0 84,-1.9 84,-1.9 -2,-0.4 83,-1.5 -0.932 87.7 -48.5 171.0-141.7 10.8 11.4 22.3 36 36 A K E S- 0 0 129 4,-3.3 2,-0.2 1,-0.4 5,-0.1 0.835 106.8 -34.8 -92.7 -44.6 11.2 13.7 25.3 37 37 A D E > S- E 0 40A 56 3,-1.0 3,-1.1 82,-0.1 -1,-0.4 -0.892 80.8 -65.6-161.5-173.0 14.9 14.6 24.8 38 38 A S T 3 S+ 0 0 65 1,-0.3 3,-0.1 -2,-0.2 -4,-0.0 0.713 132.9 42.7 -61.6 -22.2 18.2 13.0 23.7 39 39 A N T 3 S+ 0 0 82 1,-0.2 27,-2.5 26,-0.0 2,-0.5 0.565 111.9 56.2 -95.8 -13.3 18.1 10.5 26.6 40 40 A N E < +E 37 0A 34 -3,-1.1 -4,-3.3 24,-0.2 -3,-1.0 -0.802 65.9 166.9-130.9 89.6 14.4 9.6 26.4 41 41 A L E -EF 35 63A 1 22,-1.7 22,-2.2 -2,-0.5 -6,-0.3 -0.899 26.6-173.9-114.0 119.0 13.3 8.3 23.0 42 42 A C E S+ 0 0 0 -8,-1.0 2,-0.3 -2,-0.5 69,-0.3 0.721 87.5 27.7 -77.7 -19.8 10.0 6.6 22.3 43 43 A L E +E 34 0A 1 -9,-2.3 -9,-2.8 -3,-0.1 2,-0.6 -0.902 53.6 178.4-148.7 118.4 11.3 5.9 18.8 44 44 A H E -EF 33 61A 21 17,-2.7 17,-1.5 -2,-0.3 2,-0.6 -0.973 19.9-170.4-109.0 108.5 14.8 5.5 17.4 45 45 A F E +EF 32 60A 0 -13,-3.0 -13,-2.6 -2,-0.6 15,-0.2 -0.920 10.4 171.0-108.9 114.6 14.2 4.8 13.7 46 46 A N E - F 0 59A 5 13,-2.6 13,-1.8 -2,-0.6 2,-0.4 -0.740 17.2-165.7-137.1 82.7 17.4 3.7 11.9 47 47 A P E - F 0 58A 0 0, 0.0 -17,-1.7 0, 0.0 2,-0.7 -0.571 15.1-155.3 -65.2 123.2 17.3 2.4 8.3 48 48 A R E +CF 29 57A 20 9,-3.3 9,-2.0 -2,-0.4 -19,-0.2 -0.916 24.1 171.7-107.0 108.5 20.7 0.8 7.7 49 49 A F E S- 0 0 12 -21,-1.5 7,-1.4 -2,-0.7 -20,-0.2 0.943 89.3 -15.4 -71.8 -53.2 21.7 0.6 4.0 50 50 A N E S+ F 0 55A 103 -22,-2.5 2,-0.3 5,-0.2 5,-0.2 -0.614 101.8 115.3-154.4 86.7 25.1 -0.6 5.0 51 51 A A E > + F 0 54A 21 3,-1.3 3,-2.1 -2,-0.1 -3,-0.1 -0.988 69.0 10.0-156.0 146.6 26.1 -0.2 8.7 52 52 A H T 3 S- 0 0 151 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.751 127.6 -59.3 55.5 30.6 26.9 -2.4 11.7 53 53 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.299 112.5 122.3 82.9 -10.2 27.0 -5.5 9.5 54 54 A D E < -F 51 0A 29 -3,-2.1 -3,-1.3 3,-0.1 2,-0.4 -0.557 44.9-162.1 -86.6 149.6 23.4 -4.9 8.5 55 55 A A E -F 50 0A 64 -2,-0.2 -5,-0.2 -5,-0.2 -6,-0.2 -0.999 69.0 -17.4-134.1 129.6 22.2 -4.5 4.9 56 56 A N E S+ 0 0 101 -7,-1.4 2,-0.4 -2,-0.4 -7,-0.2 0.883 96.4 136.0 41.1 56.5 18.9 -2.9 3.8 57 57 A T E -F 48 0A 31 -9,-2.0 -9,-3.3 -11,-0.1 2,-0.6 -0.997 52.4-137.8-133.2 135.8 17.3 -3.3 7.3 58 58 A I E -F 47 0A 0 -2,-0.4 16,-2.2 16,-0.4 2,-0.5 -0.836 22.6-165.3 -87.7 120.6 15.2 -1.0 9.4 59 59 A V E -FG 46 73A 1 -13,-1.8 -13,-2.6 -2,-0.6 2,-0.3 -0.927 6.6-174.8-107.5 129.7 16.3 -1.1 13.0 60 60 A C E +FG 45 72A 0 12,-3.2 12,-2.8 -2,-0.5 2,-0.3 -0.936 12.4 149.4-121.7 149.4 14.0 0.4 15.7 61 61 A N E -F 44 0A 7 -17,-1.5 -17,-2.7 -2,-0.3 2,-0.3 -0.949 31.9-126.4-160.2 174.4 14.6 0.8 19.4 62 62 A S E - 0 0 5 -2,-0.3 7,-2.3 -19,-0.2 2,-0.4 -0.786 12.1-146.2-120.5 169.0 13.7 3.0 22.4 63 63 A K E -FH 41 68A 41 -22,-2.2 -22,-1.7 -2,-0.3 2,-0.5 -0.979 12.4-171.6-139.1 127.0 16.0 4.8 24.9 64 64 A D E > S- H 0 67A 97 3,-3.0 3,-1.5 -2,-0.4 -24,-0.2 -0.941 73.4 -22.9-127.8 110.2 14.9 5.2 28.5 65 65 A G T 3 S- 0 0 58 -2,-0.5 -25,-0.2 1,-0.3 -1,-0.2 0.911 130.5 -47.2 54.5 44.1 16.9 7.4 30.9 66 66 A G T 3 S+ 0 0 38 -27,-2.5 2,-0.5 1,-0.2 -1,-0.3 0.268 115.6 116.3 84.8 -10.4 19.9 6.9 28.6 67 67 A A E < -H 64 0A 60 -3,-1.5 -3,-3.0 -28,-0.2 -1,-0.2 -0.823 63.4-129.2 -99.5 124.6 19.5 3.1 28.3 68 68 A W E -H 63 0A 130 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.429 25.3-146.5 -61.7 137.9 18.8 1.4 25.0 69 69 A G - 0 0 34 -7,-2.3 2,-0.6 1,-0.1 -1,-0.1 0.030 43.8 -48.2 -87.0-158.3 15.8 -1.0 25.0 70 70 A T - 0 0 108 1,-0.1 -1,-0.1 -9,-0.0 2,-0.0 -0.692 61.8-126.3 -82.5 118.2 15.3 -4.2 23.1 71 71 A E - 0 0 85 -2,-0.6 2,-0.4 -10,-0.1 -10,-0.2 -0.319 22.7-164.9 -60.9 139.8 16.0 -3.7 19.4 72 72 A Q E -G 60 0A 70 -12,-2.8 -12,-3.2 -2,-0.0 2,-0.4 -0.987 4.2-154.3-124.4 140.8 13.4 -4.7 16.8 73 73 A R E -G 59 0A 106 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.911 10.3-140.8-112.2 141.7 14.0 -5.2 13.1 74 74 A E - 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