==== 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 3OYW . 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) . 12291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 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 . 143 53.4 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 . 38 14.2 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 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 72 0, 0.0 122,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 128.3 23.0 15.1 15.6 2 2 A C + 0 0 126 2,-0.1 121,-0.1 120,-0.0 2,-0.1 0.601 360.0 65.5 -86.5 -18.2 24.7 16.9 12.7 3 3 A G S S- 0 0 22 119,-0.7 141,-0.1 1,-0.2 139,-0.1 -0.285 104.8 -39.7 -96.7-176.8 21.2 17.2 11.3 4 4 A L - 0 0 17 117,-0.1 118,-2.7 140,-0.1 2,-0.5 -0.065 48.3-167.4 -50.0 130.5 17.9 18.9 12.3 5 5 A V E -AB 121 142A 26 137,-2.3 137,-2.6 116,-0.2 2,-0.4 -0.991 6.8-174.2-121.4 124.6 16.9 19.0 16.0 6 6 A A E +AB 120 141A 6 114,-3.7 114,-2.7 -2,-0.5 2,-0.3 -0.970 4.0 177.8-122.6 130.7 13.4 20.1 16.9 7 7 A S E +AB 119 140A 43 133,-2.9 133,-2.4 -2,-0.4 112,-0.2 -0.847 61.1 38.1-126.3 168.8 12.0 20.7 20.4 8 8 A N E + 0 0 62 110,-1.0 111,-0.2 -2,-0.3 -1,-0.2 0.818 66.2 149.9 59.0 35.1 8.6 21.8 21.8 9 9 A L E - 0 0 17 109,-1.1 109,-0.2 -3,-0.2 3,-0.1 0.892 34.6-161.3 -59.2 -41.4 6.9 19.8 19.0 10 10 A N E + 0 0 79 1,-0.2 2,-0.8 107,-0.1 108,-0.2 0.848 16.5 177.2 56.5 40.2 3.9 19.2 21.3 11 11 A L E -A 117 0A 1 106,-2.6 106,-2.4 4,-0.0 -1,-0.2 -0.648 10.9-162.3 -76.7 108.9 2.8 16.3 19.1 12 12 A K > - 0 0 104 -2,-0.8 3,-1.7 104,-0.2 79,-0.3 -0.439 33.4 -72.7 -89.0 165.0 -0.3 14.9 20.9 13 13 A P T 3 S+ 0 0 72 0, 0.0 79,-0.2 0, 0.0 -1,-0.2 -0.268 119.8 24.3 -59.5 144.8 -1.8 11.4 20.3 14 14 A G T 3 S+ 0 0 61 77,-2.2 2,-0.2 1,-0.3 78,-0.1 0.250 96.6 118.5 81.1 -12.8 -3.7 11.0 17.0 15 15 A E < - 0 0 60 -3,-1.7 76,-0.6 76,-0.3 2,-0.5 -0.544 58.8-133.3 -84.7 155.1 -1.6 13.8 15.4 16 16 A X E -P 90 0B 37 -2,-0.2 118,-2.0 74,-0.2 2,-0.6 -0.917 9.2-155.3-122.2 129.3 0.6 13.0 12.4 17 17 A L E -PQ 89 133B 1 72,-3.9 72,-2.9 -2,-0.5 2,-0.5 -0.907 11.8-166.4-105.3 121.4 4.3 13.9 11.8 18 18 A R E -PQ 88 132B 79 114,-2.8 114,-2.7 -2,-0.6 2,-0.5 -0.936 6.2-177.6-111.1 121.6 5.3 14.1 8.2 19 19 A V E -PQ 87 131B 0 68,-2.6 68,-2.5 -2,-0.5 2,-0.4 -0.982 2.5-175.8-120.4 125.9 9.0 14.2 7.3 20 20 A R E +PQ 86 130B 80 110,-2.6 109,-3.4 -2,-0.5 110,-2.0 -0.984 18.2 147.0-120.6 133.9 10.4 14.5 3.7 21 21 A G E -PQ 85 128B 0 64,-2.1 64,-2.7 -2,-0.4 2,-0.5 -0.973 45.3 -99.0-156.0 167.5 14.1 14.4 2.9 22 22 A E E -PQ 84 127B 88 105,-2.4 105,-2.2 -2,-0.3 2,-0.5 -0.826 26.9-143.0 -94.7 125.4 16.7 13.4 0.4 23 23 A V E - Q 0 126B 2 60,-3.0 59,-0.9 -2,-0.5 103,-0.2 -0.788 32.7-113.2 -81.9 125.2 18.7 10.1 1.0 24 24 A A > - 0 0 27 101,-1.8 3,-1.4 -2,-0.5 58,-1.1 -0.160 19.8-116.5 -56.2 150.5 22.3 10.7 -0.1 25 25 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.796 117.2 37.3 -60.9 -27.3 23.5 8.8 -3.2 26 26 A D T 3 S+ 0 0 125 55,-0.0 -2,-0.1 56,-0.0 99,-0.0 -0.106 87.0 161.9-115.3 33.0 26.1 7.0 -1.0 27 27 A A < + 0 0 10 -3,-1.4 3,-0.1 1,-0.2 -4,-0.0 -0.229 22.5 178.9 -55.0 134.7 23.9 6.6 2.1 28 28 A K - 0 0 133 1,-0.5 22,-2.6 21,-0.1 21,-1.5 0.707 68.2 -37.8-102.1 -35.8 25.0 4.1 4.7 29 29 A S B -C 48 0A 26 19,-0.2 96,-2.8 20,-0.2 -1,-0.5 -0.946 51.5-152.4-174.9 162.4 22.2 4.9 7.1 30 30 A F E -D 124 0A 2 17,-1.6 2,-0.4 94,-0.3 94,-0.3 -0.943 12.3-139.6-144.3 171.1 20.1 7.6 8.6 31 31 A V E -D 123 0A 18 92,-3.1 92,-1.7 -2,-0.3 2,-0.5 -0.990 13.1-172.4-139.7 128.3 18.2 8.3 11.9 32 32 A L E -DE 122 45A 3 13,-2.6 13,-3.3 -2,-0.4 2,-0.5 -0.993 17.5-170.9-114.5 123.0 14.9 9.7 13.1 33 33 A N E -DE 121 44A 27 88,-3.0 88,-2.1 -2,-0.5 2,-0.4 -0.948 4.7-179.1-111.5 132.0 14.7 10.0 16.9 34 34 A L E +DE 120 43A 2 9,-2.9 9,-2.1 -2,-0.5 8,-1.4 -0.983 30.8 74.8-129.7 140.5 11.5 10.9 18.6 35 35 A G E S-DE 119 41A 0 84,-2.1 84,-2.0 -2,-0.4 83,-1.6 -0.936 87.8 -46.3 168.5-136.9 10.7 11.4 22.3 36 36 A K E S- 0 0 127 4,-2.9 2,-0.3 1,-0.4 5,-0.1 0.796 106.4 -31.9 -98.7 -42.1 11.1 13.8 25.2 37 37 A D E > S- E 0 40A 52 3,-1.1 3,-1.1 82,-0.1 -1,-0.4 -0.915 81.7 -66.3-163.6-174.3 14.8 14.6 24.8 38 38 A S T 3 S+ 0 0 63 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.696 131.9 43.2 -59.6 -22.0 18.1 13.0 23.7 39 39 A N T 3 S+ 0 0 83 1,-0.2 27,-2.3 26,-0.0 2,-0.5 0.594 110.9 55.6 -98.3 -17.1 18.0 10.5 26.6 40 40 A N E < +E 37 0A 33 -3,-1.1 -4,-2.9 24,-0.2 -3,-1.1 -0.840 66.0 166.1-127.8 93.8 14.4 9.6 26.4 41 41 A L E -EF 35 63A 1 22,-1.7 22,-2.1 -2,-0.5 -6,-0.3 -0.923 27.8-170.9-115.7 126.0 13.2 8.3 23.0 42 42 A C E S+ 0 0 0 -8,-1.4 2,-0.3 -2,-0.5 69,-0.3 0.682 87.0 25.6 -82.4 -18.9 9.9 6.5 22.3 43 43 A L E -E 34 0A 2 -9,-2.1 -9,-2.9 67,-0.1 2,-0.6 -0.914 52.5-179.4-151.2 122.9 11.3 5.8 18.8 44 44 A H E -EF 33 61A 23 17,-2.4 17,-1.6 -2,-0.3 2,-0.7 -0.970 20.4-168.3-113.7 106.7 14.7 5.5 17.3 45 45 A F E +EF 32 60A 3 -13,-3.3 -13,-2.6 -2,-0.6 15,-0.2 -0.894 10.7 173.4-105.6 113.4 14.1 4.8 13.6 46 46 A N E - F 0 59A 5 13,-2.3 13,-1.9 -2,-0.7 2,-0.4 -0.734 16.4-166.7-133.1 83.4 17.2 3.7 11.9 47 47 A P E - F 0 58A 0 0, 0.0 -17,-1.6 0, 0.0 2,-0.7 -0.572 15.7-157.7 -67.9 122.3 17.2 2.5 8.2 48 48 A R E +CF 29 57A 24 9,-3.6 9,-2.3 -2,-0.4 -19,-0.2 -0.914 24.6 171.2-109.3 108.7 20.5 0.8 7.6 49 49 A F E S- 0 0 14 -21,-1.5 7,-1.8 -2,-0.7 2,-0.2 0.956 89.5 -14.8 -72.3 -55.7 21.6 0.5 4.0 50 50 A N E S+ F 0 55A 109 -22,-2.6 2,-0.3 5,-0.2 -1,-0.2 -0.734 100.8 116.5-151.3 94.8 25.0 -0.7 5.0 51 51 A A E > + F 0 54A 19 3,-1.6 3,-1.2 -2,-0.2 -3,-0.1 -0.958 68.9 9.1-162.1 144.0 25.9 -0.2 8.7 52 52 A H T 3 S- 0 0 152 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.773 127.3 -59.1 55.3 33.3 26.8 -2.3 11.8 53 53 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 0, 0.0 2,-0.0 -0.082 112.7 118.9 90.6 -33.6 27.0 -5.4 9.7 54 54 A D E < -F 51 0A 27 -3,-1.2 -3,-1.6 3,-0.0 2,-0.4 -0.274 46.9-159.8 -70.3 149.0 23.3 -5.0 8.5 55 55 A A E -F 50 0A 65 -5,-0.2 -5,-0.2 1,-0.1 -6,-0.2 -0.999 69.3 -14.7-132.4 131.5 22.3 -4.5 4.9 56 56 A N E S+ 0 0 104 -7,-1.8 2,-0.4 -2,-0.4 -7,-0.2 0.890 97.0 136.1 41.3 58.7 18.9 -3.0 3.8 57 57 A T E -F 48 0A 28 -9,-2.3 -9,-3.6 -11,-0.1 2,-0.6 -0.995 53.0-137.0-135.5 137.8 17.3 -3.3 7.2 58 58 A I E -F 47 0A 0 16,-0.4 16,-2.1 -2,-0.4 2,-0.5 -0.854 22.8-164.0 -92.0 121.5 15.2 -1.0 9.3 59 59 A V E -FG 46 73A 1 -13,-1.9 -13,-2.3 -2,-0.6 2,-0.4 -0.943 6.9-173.4-110.9 123.0 16.3 -1.1 13.0 60 60 A C E +FG 45 72A 0 12,-3.3 12,-2.8 -2,-0.5 2,-0.3 -0.927 14.0 146.0-118.2 141.7 13.9 0.3 15.6 61 61 A N E -F 44 0A 9 -17,-1.6 -17,-2.4 -2,-0.4 2,-0.3 -0.934 31.7-128.4-154.7 177.7 14.5 0.8 19.3 62 62 A S E - 0 0 4 -2,-0.3 7,-2.7 -19,-0.2 2,-0.4 -0.840 10.5-146.7-127.5 170.2 13.8 3.0 22.4 63 63 A K E -FH 41 68A 42 -22,-2.1 -22,-1.7 -2,-0.3 2,-0.5 -0.990 11.8-172.6-141.1 125.7 15.9 4.7 25.0 64 64 A D E > S- H 0 67A 96 3,-2.6 3,-2.3 -2,-0.4 -24,-0.2 -0.985 74.9 -20.8-127.3 120.4 14.8 5.2 28.6 65 65 A G T 3 S- 0 0 60 -2,-0.5 -25,-0.2 1,-0.3 -1,-0.1 0.854 131.6 -47.4 45.6 40.7 16.8 7.3 30.9 66 66 A G T 3 S+ 0 0 34 -27,-2.3 2,-0.5 1,-0.2 -1,-0.3 0.210 115.0 115.6 93.4 -13.3 19.8 6.8 28.6 67 67 A A E < -H 64 0A 61 -3,-2.3 -3,-2.6 -28,-0.2 -1,-0.2 -0.806 63.9-126.2-100.3 125.1 19.4 3.0 28.2 68 68 A W E -H 63 0A 127 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.356 26.3-142.6 -58.2 138.1 18.7 1.3 24.9 69 69 A G - 0 0 32 -7,-2.7 2,-0.3 1,-0.2 -1,-0.1 -0.082 44.3 -52.2 -85.1-167.8 15.6 -1.0 25.0 70 70 A T - 0 0 110 1,-0.1 -1,-0.2 -9,-0.1 2,-0.2 -0.591 64.7-123.5 -69.2 128.0 15.1 -4.3 23.2 71 71 A E - 0 0 85 -2,-0.3 2,-0.4 -10,-0.1 -10,-0.2 -0.468 24.1-163.5 -79.3 142.9 15.9 -3.9 19.4 72 72 A Q E -G 60 0A 69 -12,-2.8 -12,-3.3 -2,-0.2 2,-0.4 -0.988 4.0-154.3-127.5 139.3 13.4 -4.7 16.7 73 73 A R E -G 59 0A 112 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.916 8.9-144.3-112.2 137.0 14.0 -5.3 12.9 74 74 A E - 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