==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 07-JUN-02 1GZW . COMPND 2 MOLECULE: GALECTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.I.F.LOPEZ-LUCENDO,H.J.GABIUS,A.ROMERO . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 74.3 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 . 140 52.2 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 . 31 11.6 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 6 4 0 4 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 64 0, 0.0 122,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 171.9 50.6 39.9 33.6 2 2 A C + 0 0 102 2,-0.1 121,-0.2 119,-0.1 3,-0.1 0.903 360.0 37.5 -69.0 -43.0 52.5 42.6 31.7 3 3 A G S S- 0 0 14 119,-1.8 121,-0.1 1,-0.3 124,-0.1 -0.052 117.6 -28.9 -93.2-161.6 49.3 44.0 30.2 4 4 A L - 0 0 16 122,-0.4 118,-2.7 119,-0.2 2,-0.4 -0.186 57.5-165.6 -53.2 137.8 45.8 44.4 31.6 5 5 A V E -AB 121 142A 14 137,-2.2 137,-3.0 116,-0.2 2,-0.4 -0.998 4.6-173.1-130.6 127.9 44.8 41.9 34.2 6 6 A A E -AB 120 141A 4 114,-3.1 114,-2.3 -2,-0.4 2,-0.2 -0.984 2.8-177.8-127.8 131.8 41.2 41.3 35.2 7 7 A S E +AB 119 140A 42 133,-3.0 133,-2.1 -2,-0.4 112,-0.2 -0.767 60.6 40.2-121.7 167.2 39.8 39.1 38.0 8 8 A N E + 0 0 75 110,-0.7 111,-0.2 -2,-0.2 -1,-0.2 0.754 65.3 147.9 67.4 25.5 36.4 38.2 39.4 9 9 A L E - 0 0 21 109,-1.6 109,-0.2 -3,-0.2 3,-0.1 0.872 32.1-166.2 -58.4 -39.3 35.1 38.0 35.8 10 10 A N E + 0 0 91 1,-0.2 2,-0.6 128,-0.1 108,-0.2 0.876 14.5 178.1 51.5 42.5 32.6 35.3 36.7 11 11 A L E -A 117 0A 4 106,-2.8 106,-2.5 4,-0.0 -1,-0.2 -0.672 12.1-156.6 -78.1 120.5 32.0 34.5 33.0 12 12 A K > - 0 0 108 -2,-0.6 3,-2.3 104,-0.2 79,-0.3 -0.507 30.0 -70.3 -98.3 165.4 29.6 31.6 32.8 13 13 A P T 3 S+ 0 0 61 0, 0.0 79,-0.3 0, 0.0 -1,-0.2 -0.233 121.1 23.9 -53.3 135.4 28.9 29.0 30.1 14 14 A G T 3 S+ 0 0 53 77,-4.5 2,-0.3 1,-0.3 78,-0.1 0.229 96.3 118.9 92.4 -14.1 27.2 30.5 27.1 15 15 A E < - 0 0 36 -3,-2.3 76,-2.1 76,-0.3 2,-0.4 -0.626 54.7-140.0 -88.6 145.9 28.5 34.0 27.8 16 16 A X E -P 90 0B 38 -2,-0.3 118,-1.6 74,-0.2 2,-0.5 -0.864 7.0-156.9-112.3 140.6 30.8 35.8 25.4 17 17 A L E -PQ 89 133B 0 72,-3.0 72,-3.2 -2,-0.4 2,-0.5 -0.959 8.6-162.3-114.1 124.5 33.9 37.9 26.0 18 18 A R E -PQ 88 132B 101 114,-2.6 114,-2.6 -2,-0.5 2,-0.4 -0.941 9.6-175.8-110.9 126.1 34.9 40.4 23.4 19 19 A V E -PQ 87 131B 0 68,-2.9 68,-2.5 -2,-0.5 2,-0.4 -0.981 6.2-178.8-128.7 126.4 38.4 41.8 23.5 20 20 A R E +PQ 86 130B 108 110,-2.7 109,-3.6 -2,-0.4 110,-1.9 -0.976 18.0 146.3-123.2 133.8 40.0 44.5 21.3 21 21 A G E -PQ 85 128B 0 64,-2.3 64,-3.1 -2,-0.4 2,-0.5 -0.932 44.1-102.0-154.7 177.8 43.5 45.7 21.5 22 22 A E E -PQ 84 127B 82 105,-2.4 105,-2.7 -2,-0.3 2,-0.4 -0.934 30.4-136.2-111.9 129.4 46.6 47.0 19.7 23 23 A V E - Q 0 126B 3 60,-2.8 59,-0.9 -2,-0.5 103,-0.2 -0.703 33.6-101.9 -85.6 131.8 49.5 44.7 19.0 24 24 A A > - 0 0 27 101,-2.2 3,-1.8 -2,-0.4 58,-0.8 -0.194 26.8-125.6 -50.6 137.9 52.9 46.2 19.7 25 25 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.773 110.7 38.0 -58.8 -27.6 54.6 47.4 16.5 26 26 A D T 3 S+ 0 0 133 3,-0.0 2,-0.2 55,-0.0 -2,-0.1 0.027 87.5 139.9-113.0 26.0 57.7 45.3 17.3 27 27 A A < - 0 0 6 -3,-1.8 3,-0.1 1,-0.1 -4,-0.0 -0.498 41.9-163.7 -75.6 135.9 55.9 42.3 18.8 28 28 A K S S- 0 0 132 1,-0.4 22,-2.3 -2,-0.2 21,-1.5 0.577 80.7 -32.7 -87.8 -13.9 57.2 38.8 18.0 29 29 A S B -C 48 0A 18 19,-0.3 -1,-0.4 20,-0.2 2,-0.3 -0.925 61.7-132.4 173.3 170.4 53.8 37.7 19.3 30 30 A F - 0 0 0 17,-1.8 2,-0.4 -2,-0.3 -7,-0.1 -0.954 14.3-142.2-142.3 160.9 51.1 38.6 21.8 31 31 A V - 0 0 14 -2,-0.3 92,-1.7 15,-0.2 2,-0.4 -0.971 14.8-175.2-133.3 144.8 49.1 36.7 24.5 32 32 A L E -DE 45 122A 2 13,-2.0 13,-2.8 -2,-0.4 2,-0.4 -0.975 20.4-165.6-133.3 114.3 45.6 36.7 25.9 33 33 A N E -DE 44 121A 30 88,-3.1 88,-2.1 -2,-0.4 2,-0.4 -0.861 8.0-178.4-107.6 141.1 45.1 34.3 28.8 34 34 A L E +DE 43 120A 0 9,-2.2 9,-2.2 -2,-0.4 8,-1.3 -0.990 29.3 86.7-135.2 142.2 41.8 33.1 30.3 35 35 A G E S-DE 41 119A 0 84,-2.1 84,-2.4 -2,-0.4 83,-1.6 -0.961 83.4 -53.4 170.9-151.3 41.2 30.8 33.2 36 36 A K E S- 0 0 107 4,-2.8 2,-0.3 1,-0.4 5,-0.2 0.809 109.2 -32.0 -89.6 -39.4 40.7 30.4 37.0 37 37 A D E > S-D 40 0A 56 3,-1.3 3,-1.3 82,-0.1 -1,-0.4 -0.928 82.2 -66.5-164.5-177.6 44.0 32.2 37.8 38 38 A S T 3 S+ 0 0 61 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.693 131.0 40.2 -57.6 -22.5 47.5 32.7 36.4 39 39 A N T 3 S+ 0 0 85 1,-0.2 27,-2.4 26,-0.0 2,-0.4 0.450 111.9 57.0-107.0 -2.4 48.5 29.1 36.8 40 40 A N E < +D 37 0A 35 -3,-1.3 -4,-2.8 25,-0.2 -3,-1.3 -0.822 68.6 171.6-132.9 93.0 45.2 27.5 35.7 41 41 A L E -DF 35 63A 2 22,-1.5 22,-2.2 -2,-0.4 -6,-0.3 -0.887 28.5-170.9-109.8 128.6 44.3 28.6 32.2 42 42 A C E S+ 0 0 0 -8,-1.3 2,-0.3 -2,-0.5 69,-0.2 0.681 88.0 26.0 -84.9 -18.1 41.5 27.2 30.1 43 43 A L E -D 34 0A 0 -9,-2.2 -9,-2.2 20,-0.1 2,-0.8 -0.842 53.2-178.8-153.3 113.9 42.8 29.3 27.2 44 44 A H E -DF 33 61A 18 17,-2.6 17,-1.3 -2,-0.3 2,-0.8 -0.932 21.1-165.3-105.8 101.3 46.3 30.6 26.4 45 45 A F E +DF 32 60A 0 -13,-2.8 -13,-2.0 -2,-0.8 15,-0.2 -0.839 14.6 171.4 -93.8 107.7 45.6 32.5 23.1 46 46 A N E - F 0 59A 9 13,-2.7 13,-1.8 -2,-0.8 2,-0.5 -0.702 17.4-169.7-126.4 82.0 49.0 33.1 21.5 47 47 A P E - F 0 58A 0 0, 0.0 -17,-1.8 0, 0.0 2,-0.6 -0.570 17.8-157.7 -70.0 121.7 49.2 34.5 18.0 48 48 A R E +CF 29 57A 17 9,-2.6 9,-2.1 -2,-0.5 8,-0.6 -0.904 23.5 178.4-108.3 119.5 52.9 34.2 17.0 49 49 A F E S- 0 0 16 -21,-1.5 7,-1.0 -2,-0.6 -20,-0.2 0.916 87.9 -13.6 -79.8 -45.7 54.3 36.5 14.3 50 50 A N E S+ F 0 55A 111 -22,-2.3 2,-0.3 5,-0.2 5,-0.2 -0.564 99.4 117.7-158.9 84.0 57.9 35.1 14.6 51 51 A A E > + F 0 54A 15 3,-1.8 3,-2.5 -3,-0.1 -3,-0.1 -0.988 69.2 1.5-155.9 144.0 58.5 33.0 17.8 52 52 A H T 3 S- 0 0 155 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.798 128.5 -52.7 51.7 35.7 59.5 29.5 18.8 53 53 A G T 3 S+ 0 0 81 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.339 112.0 123.0 86.0 -8.8 59.8 28.3 15.2 54 54 A D E < -F 51 0A 18 -3,-2.5 -3,-1.8 3,-0.1 2,-0.5 -0.711 43.2-165.7 -92.0 138.4 56.3 29.6 14.4 55 55 A A E S-F 50 0A 74 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.2 -0.950 74.5 -24.2-124.9 108.7 55.7 32.1 11.6 56 56 A N E S+ 0 0 94 -7,-1.0 2,-0.4 -8,-0.6 -7,-0.2 0.978 98.3 139.5 53.3 62.6 52.3 33.7 11.6 57 57 A T E -F 48 0A 22 -9,-2.1 -9,-2.6 -3,-0.1 2,-0.6 -0.994 53.1-131.5-140.7 133.7 50.5 31.0 13.5 58 58 A I E -F 47 0A 0 18,-0.5 16,-1.7 -2,-0.4 2,-0.5 -0.738 26.9-167.1 -81.4 118.6 47.9 31.1 16.3 59 59 A V E -FG 46 73A 0 -13,-1.8 -13,-2.7 -2,-0.6 2,-0.4 -0.935 5.3-174.9-110.5 129.4 49.0 28.8 19.1 60 60 A C E +FG 45 72A 0 12,-3.0 12,-2.5 -2,-0.5 2,-0.3 -0.934 10.3 157.3-122.6 147.6 46.6 27.8 21.8 61 61 A N E -F 44 0A 3 -17,-1.3 -17,-2.6 -2,-0.4 2,-0.3 -0.970 31.7-124.3-158.8 169.2 47.1 25.8 24.9 62 62 A S E - 0 0 5 -2,-0.3 7,-2.5 -19,-0.2 2,-0.4 -0.730 16.9-147.6-113.5 165.1 45.8 25.1 28.4 63 63 A K E -FH 41 68A 42 -22,-2.2 -22,-1.5 -2,-0.3 2,-0.5 -0.971 11.8-172.3-139.6 120.3 47.8 25.4 31.6 64 64 A D E > S- H 0 67A 101 3,-2.7 3,-2.3 -2,-0.4 -24,-0.2 -0.958 74.8 -21.9-119.1 116.6 47.0 23.1 34.5 65 65 A G T 3 S- 0 0 59 -2,-0.5 -25,-0.2 1,-0.3 -1,-0.1 0.822 130.1 -49.7 56.4 30.3 48.7 23.7 37.9 66 66 A G T 3 S+ 0 0 32 -27,-2.4 2,-0.5 1,-0.2 -1,-0.3 0.363 114.1 119.8 91.2 -4.9 51.3 25.6 36.0 67 67 A A E < -H 64 0A 62 -3,-2.3 -3,-2.7 -28,-0.2 -1,-0.2 -0.833 62.8-125.9-100.8 128.1 52.0 22.9 33.4 68 68 A W E -H 63 0A 127 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.417 24.9-146.8 -68.2 140.2 51.4 23.6 29.7 69 69 A G - 0 0 33 -7,-2.5 2,-0.5 1,-0.2 -1,-0.1 0.031 43.4 -53.3 -89.1-158.5 49.1 21.1 27.9 70 70 A T - 0 0 109 1,-0.1 -1,-0.2 -9,-0.0 -8,-0.1 -0.717 63.3-122.8 -84.3 124.5 49.2 19.9 24.3 71 71 A E - 0 0 84 -2,-0.5 2,-0.4 -10,-0.1 -10,-0.2 -0.281 19.7-157.0 -68.8 151.2 49.4 22.9 21.9 72 72 A Q E -G 60 0A 53 -12,-2.5 -12,-3.0 -2,-0.0 2,-0.4 -0.968 7.1-158.6-126.2 141.3 46.8 23.4 19.1 73 73 A R E -G 59 0A 105 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.958 7.6-138.2-126.0 143.5 47.6 25.5 16.0 74 74 A E - 0 0 31 -16,-1.7 -16,-0.3 -2,-0.4 32,-0.0 -0.551 13.6-130.1 -99.1 165.3 45.2 27.2 13.6 75 75 A A S S+ 0 0 89 -2,-0.2 2,-0.3 -18,-0.1 -1,-0.1 0.441 85.9 52.5 -91.7 -4.0 45.1 27.5 9.8 76 76 A V - 0 0 44 -18,-0.1 -18,-0.5 2,-0.0 -2,-0.2 -0.896 55.2-164.5-130.7 161.9 44.6 31.3 9.5 77 77 A F + 0 0 35 -2,-0.3 2,-1.2 -20,-0.1 -20,-0.0 -0.595 10.3 173.4-149.2 81.2 46.3 34.3 11.0 78 78 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 24,-0.0 -0.260 52.9 93.2 -85.5 50.4 44.3 37.6 10.7 79 79 A F - 0 0 7 -2,-1.2 6,-0.1 6,-0.1 5,-0.1 -0.916 45.3-177.9-138.2 163.9 46.8 39.6 12.8 80 80 A Q > - 0 0 86 -2,-0.3 3,-1.5 4,-0.2 -57,-0.3 -0.953 37.1 -94.1-162.4 141.7 49.9 41.9 12.2 81 81 A P T 3 S+ 0 0 55 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.210 109.6 20.8 -56.1 146.7 52.3 43.8 14.5 82 82 A G T 3 S+ 0 0 44 -59,-0.9 2,-0.3 -58,-0.8 -58,-0.1 0.600 107.9 102.4 69.9 10.6 51.4 47.4 15.1 83 83 A S S < S- 0 0 46 -3,-1.5 -60,-2.8 -59,-0.2 -1,-0.2 -0.816 77.7 -92.6-123.9 165.4 47.7 46.8 14.2 84 84 A V E -P 22 0B 81 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.3 -0.411 35.0-165.3 -74.7 150.0 44.5 46.3 16.1 85 85 A A E -P 21 0B 2 -64,-3.1 -64,-2.3 -2,-0.1 2,-0.4 -0.978 6.2-177.0-140.9 123.7 43.3 42.8 17.0 86 86 A E E +P 20 0B 43 -2,-0.4 2,-0.3 -66,-0.2 -66,-0.2 -0.982 4.3 175.4-125.6 133.6 39.8 41.8 18.2 87 87 A V E -P 19 0B 2 -68,-2.5 -68,-2.9 -2,-0.4 2,-0.5 -0.972 19.3-147.8-135.8 149.5 38.6 38.4 19.3 88 88 A C E -PR 18 99B 14 11,-2.3 11,-3.1 -2,-0.3 2,-0.5 -0.976 15.9-169.1-119.1 122.8 35.4 37.0 20.7 89 89 A I E -PR 17 98B 0 -72,-3.2 -72,-3.0 -2,-0.5 2,-0.5 -0.950 3.8-164.8-118.9 123.8 35.6 34.1 23.1 90 90 A T E -PR 16 97B 38 7,-3.0 7,-2.6 -2,-0.5 2,-0.4 -0.901 13.6-141.5-108.5 132.1 32.5 32.1 24.2 91 91 A F E + R 0 96B 0 -76,-2.1 -77,-4.5 -2,-0.5 -76,-0.3 -0.782 27.6 164.3 -95.3 131.3 32.8 29.8 27.2 92 92 A D - 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