==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN/INHIBITOR 23-JUL-11 3T2T . 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) . 12234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 74.6 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 . 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 . 27 10.1 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 3 3 4 4 3 3 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 68 0, 0.0 122,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -73.1 22.5 15.5 16.2 2 2 A C + 0 0 108 120,-0.3 121,-0.2 2,-0.1 3,-0.1 0.610 360.0 60.5 -90.6 -26.5 24.5 16.7 13.2 3 3 A G S S- 0 0 19 119,-1.2 120,-0.1 1,-0.2 124,-0.1 -0.126 113.7 -45.6 -83.2-170.2 21.1 16.9 11.5 4 4 A L - 0 0 21 140,-0.1 118,-2.3 117,-0.1 2,-0.4 -0.240 50.8-163.2 -55.5 136.9 18.2 19.0 12.5 5 5 A V E -AB 121 142A 26 137,-2.3 137,-2.9 116,-0.2 2,-0.4 -0.998 9.9-177.5-125.3 128.6 17.2 19.1 16.1 6 6 A A E -AB 120 141A 4 114,-3.2 114,-2.3 -2,-0.4 2,-0.3 -0.988 2.0-179.3-125.8 134.6 13.7 20.3 17.1 7 7 A S E +AB 119 140A 43 133,-2.9 133,-2.2 -2,-0.4 112,-0.2 -0.828 60.1 42.2-129.3 170.9 12.1 20.8 20.5 8 8 A N E + 0 0 64 110,-0.9 111,-0.2 -2,-0.3 -1,-0.2 0.810 63.9 148.5 60.6 34.1 8.8 22.0 21.8 9 9 A L E - 0 0 19 109,-1.4 109,-0.2 -3,-0.2 3,-0.1 0.862 34.2-162.7 -60.6 -37.9 7.0 20.0 19.1 10 10 A N E + 0 0 83 1,-0.2 2,-0.6 128,-0.1 108,-0.2 0.869 16.7 177.7 51.3 43.0 4.0 19.3 21.4 11 11 A L E -A 117 0A 2 106,-2.9 106,-2.6 4,-0.0 -1,-0.2 -0.681 12.5-156.9 -77.5 119.0 2.9 16.5 19.1 12 12 A K > - 0 0 92 -2,-0.6 3,-2.1 104,-0.2 79,-0.3 -0.516 30.7 -74.1 -98.1 162.3 -0.2 15.0 20.7 13 13 A P T 3 S+ 0 0 72 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 -0.298 120.3 21.0 -53.2 134.4 -1.8 11.5 20.3 14 14 A G T 3 S+ 0 0 61 77,-2.2 2,-0.2 1,-0.3 78,-0.1 0.236 95.5 118.4 90.5 -13.7 -3.5 11.2 16.9 15 15 A E < - 0 0 59 -3,-2.1 2,-0.4 76,-0.2 76,-0.4 -0.583 60.8-127.0 -87.0 151.1 -1.6 14.0 15.3 16 16 A X - 0 0 64 118,-2.6 118,-2.7 -2,-0.2 2,-0.5 -0.853 14.1-162.1-104.8 130.6 0.6 13.3 12.3 17 17 A L E -PQ 89 133B 0 72,-2.8 72,-2.8 -2,-0.4 2,-0.4 -0.972 12.4-170.1-104.8 123.7 4.3 14.2 11.9 18 18 A R E -PQ 88 132B 81 114,-2.6 114,-2.6 -2,-0.5 2,-0.4 -0.954 4.1-176.8-117.5 128.8 5.5 14.1 8.3 19 19 A V E -PQ 87 131B 0 68,-2.5 68,-2.3 -2,-0.4 2,-0.4 -0.997 3.7-170.7-128.8 127.3 9.2 14.4 7.5 20 20 A R E +PQ 86 130B 90 110,-2.7 109,-3.2 -2,-0.4 110,-1.8 -0.981 16.9 157.7-122.0 137.6 10.6 14.5 4.0 21 21 A G E -PQ 85 128B 0 64,-2.5 64,-2.7 -2,-0.4 2,-0.5 -0.912 40.6-105.2-152.6 163.7 14.3 14.3 3.2 22 22 A E E -PQ 84 127B 88 105,-2.3 105,-2.7 -2,-0.3 2,-0.6 -0.895 27.4-144.1-100.2 126.6 16.9 13.5 0.7 23 23 A V E -PQ 83 126B 3 60,-2.9 59,-1.1 -2,-0.5 60,-0.7 -0.811 29.4-114.2 -91.3 122.0 18.8 10.2 1.1 24 24 A A > - 0 0 26 101,-1.8 3,-1.6 -2,-0.6 58,-1.0 -0.149 17.3-120.8 -54.0 146.1 22.4 10.7 0.0 25 25 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.768 116.9 38.7 -58.2 -27.6 23.6 8.7 -3.1 26 26 A D T 3 S+ 0 0 113 55,-0.0 -2,-0.1 99,-0.0 99,-0.0 -0.032 88.5 159.7-111.4 31.2 26.2 7.0 -0.9 27 27 A A < + 0 0 9 -3,-1.6 3,-0.1 1,-0.1 -4,-0.0 -0.210 22.5 177.0 -59.7 137.4 24.1 6.7 2.2 28 28 A K - 0 0 120 1,-0.4 22,-2.1 21,-0.1 21,-2.1 0.705 66.6 -35.2-105.7 -36.5 25.1 4.1 4.8 29 29 A S B -C 48 0A 22 19,-0.2 96,-2.6 20,-0.2 -1,-0.4 -0.964 50.2-152.3-173.1 163.6 22.3 4.9 7.3 30 30 A F E -D 124 0A 0 17,-1.7 2,-0.4 -2,-0.3 94,-0.2 -0.966 10.1-147.2-144.2 161.7 20.2 7.6 8.8 31 31 A V E -D 123 0A 20 92,-2.6 92,-2.2 -2,-0.3 2,-0.4 -0.987 10.1-171.9-132.4 137.4 18.4 8.1 12.1 32 32 A L E -DE 122 45A 4 13,-2.3 13,-2.6 -2,-0.4 2,-0.4 -0.993 15.6-167.2-120.8 126.6 15.3 9.8 13.3 33 33 A N E -DE 121 44A 28 88,-3.1 88,-2.0 -2,-0.4 2,-0.4 -0.942 6.7-179.5-116.3 132.9 14.9 10.1 17.1 34 34 A L E +DE 120 43A 2 9,-2.7 9,-2.1 -2,-0.4 8,-1.6 -0.991 30.0 76.6-131.2 142.4 11.7 11.1 18.7 35 35 A G E S-DE 119 41A 0 84,-2.1 84,-2.3 -2,-0.4 83,-1.8 -0.917 88.2 -47.2 167.5-139.6 10.7 11.5 22.3 36 36 A K E S- 0 0 123 4,-2.5 2,-0.3 1,-0.4 5,-0.1 0.792 107.3 -30.4 -97.0 -41.4 11.0 13.9 25.2 37 37 A D E > S- E 0 40A 56 3,-1.2 3,-1.5 82,-0.1 -1,-0.4 -0.918 80.5 -69.6-165.3-174.2 14.8 14.6 25.0 38 38 A S T 3 S+ 0 0 61 1,-0.3 3,-0.1 -2,-0.3 -4,-0.0 0.727 130.9 44.8 -70.1 -16.0 18.0 13.0 23.9 39 39 A N T 3 S+ 0 0 78 1,-0.2 27,-2.6 26,-0.1 2,-0.4 0.488 111.4 54.5 -97.1 -6.4 17.9 10.5 26.9 40 40 A N E < +E 37 0A 34 -3,-1.5 -4,-2.5 24,-0.2 -3,-1.2 -0.825 66.9 167.8-136.8 87.1 14.2 9.6 26.6 41 41 A L E -EF 35 63A 2 22,-1.7 22,-2.3 -2,-0.4 -6,-0.3 -0.917 26.0-171.1-108.1 123.0 13.3 8.4 23.1 42 42 A C E S+ 0 0 3 -8,-1.6 2,-0.3 -2,-0.5 69,-0.3 0.709 86.6 21.1 -79.7 -17.4 10.0 6.7 22.4 43 43 A L E -E 34 0A 1 -9,-2.1 -9,-2.7 -3,-0.1 2,-0.5 -0.894 52.8-177.4-156.3 126.5 11.4 5.9 19.0 44 44 A H E -EF 33 61A 26 17,-2.7 17,-1.5 -2,-0.3 2,-0.6 -0.990 21.7-167.6-115.5 115.1 14.9 5.6 17.5 45 45 A F E +EF 32 60A 1 -13,-2.6 -13,-2.3 -2,-0.5 15,-0.2 -0.951 10.1 174.6-117.9 114.2 14.3 4.8 13.8 46 46 A N E - F 0 59A 7 13,-2.9 13,-2.1 -2,-0.6 2,-0.4 -0.739 14.4-166.8-135.5 86.5 17.4 3.7 12.0 47 47 A P E - F 0 58A 0 0, 0.0 -17,-1.7 0, 0.0 2,-0.6 -0.567 13.6-158.1 -68.5 122.8 17.3 2.5 8.4 48 48 A R E +CF 29 57A 29 9,-3.1 9,-2.0 -2,-0.4 -19,-0.2 -0.948 22.0 173.0-110.1 115.1 20.6 0.8 7.6 49 49 A F E S- 0 0 11 -21,-2.1 7,-1.3 -2,-0.6 -20,-0.2 0.904 88.8 -19.1 -81.0 -48.6 21.5 0.6 3.9 50 50 A N E S+ F 0 55A 114 -22,-2.1 2,-0.3 5,-0.2 5,-0.2 -0.638 100.1 121.8-161.3 90.6 24.9 -0.7 4.7 51 51 A A E > + F 0 54A 14 3,-2.1 3,-1.8 -2,-0.2 -3,-0.0 -0.953 68.1 3.1-159.8 136.3 26.1 -0.2 8.3 52 52 A H T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.807 128.5 -53.2 59.0 35.4 27.2 -2.2 11.3 53 53 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.125 114.4 113.2 90.3 -18.4 27.0 -5.5 9.4 54 54 A D E < -F 51 0A 29 -3,-1.8 -3,-2.1 3,-0.1 2,-0.4 -0.632 46.1-163.2 -97.1 146.4 23.4 -4.9 8.3 55 55 A A E S-F 50 0A 59 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.2 -0.985 70.2 -13.2-127.3 134.0 22.0 -4.3 4.8 56 56 A N E S+ 0 0 95 -7,-1.3 2,-0.4 -2,-0.4 -7,-0.2 0.888 96.6 134.2 42.5 57.6 18.6 -2.9 3.8 57 57 A T E -F 48 0A 28 -9,-2.0 -9,-3.1 -3,-0.1 2,-0.6 -0.999 51.4-140.3-136.6 134.9 17.2 -3.3 7.4 58 58 A I E -FG 47 74A 0 16,-0.6 16,-2.2 -2,-0.4 2,-0.4 -0.858 20.0-164.8 -91.7 118.4 15.2 -0.9 9.6 59 59 A V E -FG 46 73A 1 -13,-2.1 -13,-2.9 -2,-0.6 2,-0.3 -0.878 7.9-175.5-102.2 136.0 16.3 -1.1 13.2 60 60 A C E +FG 45 72A 0 12,-3.1 12,-2.6 -2,-0.4 2,-0.3 -0.966 11.7 148.3-129.4 150.1 14.1 0.4 15.9 61 61 A N E -F 44 0A 9 -17,-1.5 -17,-2.7 -2,-0.3 2,-0.3 -0.928 30.6-128.3-159.3 176.0 14.5 0.9 19.6 62 62 A S E - 0 0 5 -2,-0.3 7,-2.5 -19,-0.2 2,-0.4 -0.844 11.3-147.3-123.6 172.2 13.6 3.1 22.6 63 63 A K E -FH 41 68A 39 -22,-2.3 -22,-1.7 -2,-0.3 2,-0.5 -0.986 11.1-171.5-145.9 126.7 15.7 4.8 25.2 64 64 A D E > S- H 0 67A 95 3,-2.4 3,-1.6 -2,-0.4 -24,-0.2 -0.950 73.9 -20.2-127.9 110.8 14.5 5.3 28.7 65 65 A G T 3 S- 0 0 59 -2,-0.5 -25,-0.2 -26,-0.3 -1,-0.1 0.870 130.2 -48.6 61.3 38.9 16.5 7.4 31.2 66 66 A G T 3 S+ 0 0 33 -27,-2.6 2,-0.5 1,-0.2 -1,-0.3 0.200 114.9 114.2 86.8 -13.6 19.6 6.9 29.1 67 67 A A E < -H 64 0A 63 -3,-1.6 -3,-2.4 -28,-0.2 -1,-0.2 -0.811 64.1-129.5 -98.7 121.6 19.2 3.1 28.7 68 68 A W E -H 63 0A 126 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.341 25.0-145.4 -56.7 142.9 18.5 1.5 25.3 69 69 A G - 0 0 36 -7,-2.5 2,-0.6 1,-0.1 -1,-0.1 -0.045 44.7 -47.6 -91.7-155.0 15.6 -0.9 25.3 70 70 A T - 0 0 107 1,-0.0 -1,-0.1 -2,-0.0 2,-0.1 -0.701 62.0-132.4 -83.5 117.3 15.1 -4.1 23.3 71 71 A E - 0 0 84 -2,-0.6 2,-0.3 -10,-0.1 -10,-0.2 -0.383 22.1-167.3 -71.5 147.3 16.0 -3.6 19.7 72 72 A Q E -G 60 0A 70 -12,-2.6 -12,-3.1 -2,-0.1 2,-0.4 -0.984 8.6-149.0-134.5 144.9 13.7 -4.8 16.9 73 73 A R E -G 59 0A 111 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.908 9.0-145.2-114.6 142.1 14.2 -5.1 13.1 74 74 A E E -G 58 0A 35 -16,-2.2 -16,-0.6 -2,-0.4 32,-0.0 -0.652 11.7-137.7 -98.6 160.4 11.5 -4.7 10.5 75 75 A A S S+ 0 0 105 -2,-0.2 2,-0.2 -18,-0.1 -1,-0.1 0.722 76.2 81.9 -93.1 -19.8 11.6 -6.9 7.3 76 76 A V - 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