==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 20-AUG-04 1W6P . 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) . 11965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 77.2 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 . 141 52.6 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 . 39 14.6 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 . 3 5 2 4 4 1 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 1001 A A 0 0 95 0, 0.0 3,-0.1 0, 0.0 143,-0.0 0.000 360.0 360.0 360.0 -93.4 2.9 39.8 31.0 2 1002 A S - 0 0 70 1,-0.2 2,-0.3 121,-0.0 141,-0.0 0.981 360.0 -45.6 -50.0 -86.9 2.9 43.3 30.3 3 1003 A G - 0 0 9 120,-0.1 -1,-0.2 124,-0.1 120,-0.1 -0.976 60.8 -90.6-154.0 148.2 6.4 44.5 29.7 4 1004 A L - 0 0 20 -2,-0.3 118,-2.8 -3,-0.1 2,-0.4 -0.323 36.7-159.4 -63.2 140.9 9.8 44.0 31.4 5 1005 A V E -AB 121 142A 36 137,-2.3 137,-3.5 116,-0.2 2,-0.4 -0.988 9.5-177.2-130.2 119.8 10.8 46.6 34.1 6 1006 A A E +AB 120 141A 1 114,-3.1 114,-2.7 -2,-0.4 2,-0.3 -0.969 2.3 179.1-122.9 133.3 14.4 47.1 35.1 7 1007 A S E +AB 119 140A 40 133,-3.0 133,-2.4 -2,-0.4 112,-0.2 -0.819 59.8 43.2-126.7 164.5 15.6 49.4 37.8 8 1008 A N E + 0 0 64 110,-0.9 111,-0.2 -2,-0.3 -1,-0.1 0.795 65.6 145.7 67.6 31.4 19.0 50.3 39.3 9 1009 A L E - 0 0 22 109,-1.4 109,-0.2 -3,-0.2 3,-0.2 0.834 34.1-165.4 -64.0 -41.9 20.4 50.5 35.8 10 1010 A N E + 0 0 78 1,-0.2 2,-0.7 106,-0.1 108,-0.2 0.899 14.2 179.9 50.8 47.4 22.8 53.3 36.6 11 1011 A L E -A 117 0A 4 106,-3.1 106,-2.3 4,-0.0 -1,-0.2 -0.712 11.5-155.6 -81.6 114.4 23.4 54.0 32.9 12 1012 A K > - 0 0 83 -2,-0.7 3,-2.2 104,-0.2 79,-0.3 -0.412 30.9 -71.2 -89.4 165.5 25.8 57.0 32.8 13 1013 A P T 3 S+ 0 0 62 0, 0.0 79,-0.3 0, 0.0 -1,-0.2 -0.234 121.3 25.6 -54.1 137.6 26.4 59.5 30.0 14 1014 A G T 3 S+ 0 0 54 77,-4.3 2,-0.2 1,-0.3 78,-0.1 0.213 95.4 119.0 92.0 -16.1 28.1 58.0 27.0 15 1015 A E < - 0 0 40 -3,-2.2 76,-2.2 76,-0.3 2,-0.4 -0.598 54.3-141.0 -86.1 146.9 26.7 54.5 27.7 16 1016 A X E -P 90 0B 37 -2,-0.2 118,-2.1 74,-0.2 2,-0.5 -0.868 5.9-154.2-113.9 142.1 24.4 52.8 25.3 17 1017 A L E -PQ 89 133B 0 72,-3.2 72,-3.1 -2,-0.4 2,-0.5 -0.960 10.8-161.9-113.5 122.0 21.4 50.6 25.9 18 1018 A R E -PQ 88 132B 98 114,-2.4 114,-2.6 -2,-0.5 2,-0.5 -0.918 7.9-174.9-108.4 126.0 20.5 48.0 23.2 19 1019 A V E -PQ 87 131B 1 68,-2.9 68,-2.5 -2,-0.5 2,-0.4 -0.976 3.5-176.3-126.1 122.1 17.0 46.6 23.2 20 1020 A R E +PQ 86 130B 106 110,-3.0 109,-3.6 -2,-0.5 110,-2.0 -0.952 17.5 150.4-117.3 133.8 15.9 43.8 20.9 21 1021 A G E -PQ 85 128B 0 64,-2.4 64,-2.8 -2,-0.4 2,-0.5 -0.963 44.5 -99.9-154.4 170.3 12.3 42.5 20.8 22 1022 A E E -PQ 84 127B 79 105,-2.7 105,-2.8 -2,-0.3 2,-0.5 -0.855 30.1-138.1-100.8 125.2 9.6 41.0 18.6 23 1023 A V E - Q 0 126B 3 60,-2.3 59,-1.7 -2,-0.5 60,-0.3 -0.708 32.9-108.2 -81.6 126.5 7.0 43.3 17.2 24 1024 A A > - 0 0 29 101,-1.9 3,-1.7 -2,-0.5 58,-0.5 -0.144 21.6-119.5 -52.6 146.5 3.6 41.6 17.5 25 1025 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.771 117.0 30.3 -59.9 -26.7 2.1 40.4 14.1 26 1026 A D T 3 S+ 0 0 142 55,-0.0 -2,-0.1 56,-0.0 99,-0.0 -0.153 90.1 166.2-124.1 36.2 -0.9 42.8 14.8 27 1027 A A < - 0 0 9 -3,-1.7 3,-0.1 1,-0.2 -4,-0.0 -0.216 21.8-179.0 -56.7 139.2 1.0 45.4 16.7 28 1028 A K - 0 0 129 1,-0.5 22,-2.4 21,-0.1 21,-1.4 0.647 68.7 -38.4-107.7 -31.2 -0.8 48.8 17.2 29 1029 A S B -C 48 0A 26 19,-0.3 96,-2.4 20,-0.2 -1,-0.5 -0.892 53.0-156.1 175.0 157.7 2.0 50.4 19.2 30 1030 A F E -D 124 0A 0 17,-1.7 2,-0.4 94,-0.3 94,-0.3 -0.957 10.4-144.0-145.3 162.2 4.7 49.7 21.8 31 1031 A V E -D 123 0A 17 92,-3.0 92,-2.5 -2,-0.3 2,-0.5 -0.981 12.6-169.6-136.0 145.3 6.7 51.7 24.3 32 1032 A L E -DE 122 45A 3 13,-2.0 13,-3.0 -2,-0.4 2,-0.4 -0.986 20.9-165.2-128.6 114.0 10.1 51.7 25.8 33 1033 A N E -DE 121 44A 29 88,-3.4 88,-2.3 -2,-0.5 2,-0.3 -0.878 8.1-179.3-106.0 138.4 10.3 54.1 28.7 34 1034 A L E +DE 120 43A 2 9,-2.4 9,-2.1 -2,-0.4 8,-1.3 -0.987 27.9 85.1-134.4 144.0 13.6 55.3 30.2 35 1035 A G E S-DE 119 41A 0 84,-2.1 84,-2.6 -2,-0.3 83,-1.6 -0.981 84.6 -51.6 167.1-154.0 14.3 57.6 33.1 36 1036 A K E S- 0 0 133 4,-2.4 2,-0.3 1,-0.3 5,-0.2 0.849 110.4 -30.1 -84.3 -41.4 14.7 58.0 36.8 37 1037 A D E > S- E 0 40A 52 3,-1.3 3,-1.5 82,-0.1 -1,-0.3 -0.916 81.4 -69.1-161.2-177.3 11.4 56.2 37.6 38 1038 A S T 3 S+ 0 0 57 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.738 131.0 41.2 -57.8 -26.3 7.9 55.6 36.2 39 1039 A N T 3 S+ 0 0 86 1,-0.2 27,-2.5 26,-0.0 2,-0.3 0.387 112.4 56.4-104.2 2.8 6.9 59.2 36.6 40 1040 A N E < +E 37 0A 29 -3,-1.5 -4,-2.4 25,-0.2 -3,-1.3 -0.802 68.7 170.3-137.0 91.5 10.1 60.8 35.5 41 1041 A L E -EF 35 63A 2 22,-1.6 22,-2.3 -2,-0.3 -6,-0.3 -0.896 28.5-170.6-110.8 129.2 11.1 59.7 32.0 42 1042 A C E S+ 0 0 0 -8,-1.3 2,-0.3 -2,-0.5 69,-0.3 0.703 88.5 25.4 -83.6 -20.3 13.9 61.2 29.9 43 1043 A L E -E 34 0A 0 -9,-2.1 -9,-2.4 20,-0.1 2,-0.8 -0.870 53.6-178.5-151.9 115.4 12.6 59.2 27.0 44 1044 A H E -EF 33 61A 21 17,-2.5 17,-1.3 -2,-0.3 2,-0.8 -0.939 22.2-164.5-107.3 100.9 9.2 57.8 26.2 45 1045 A F E +EF 32 60A 0 -13,-3.0 -13,-2.0 -2,-0.8 15,-0.2 -0.832 13.8 173.8 -93.7 108.0 9.9 55.9 23.0 46 1046 A N E - F 0 59A 7 13,-2.7 13,-2.3 -2,-0.8 2,-0.5 -0.741 17.0-169.8-125.0 85.7 6.5 55.2 21.3 47 1047 A P E - F 0 58A 0 0, 0.0 -17,-1.7 0, 0.0 2,-0.6 -0.611 16.1-160.4 -72.4 120.9 6.4 53.7 17.8 48 1048 A R E +CF 29 57A 18 9,-3.0 9,-2.5 -2,-0.5 8,-0.3 -0.910 22.3 175.1-109.4 112.8 2.7 53.9 16.8 49 1049 A F E S- 0 0 11 -21,-1.4 7,-1.5 -2,-0.6 -20,-0.2 0.926 88.3 -13.9 -76.3 -46.9 1.6 51.6 14.0 50 1050 A N E S+ F 0 55A 109 -22,-2.4 2,-0.3 5,-0.2 -1,-0.2 -0.622 101.7 115.7-158.1 87.3 -2.0 52.7 14.4 51 1051 A A E > + F 0 54A 17 3,-2.0 3,-2.0 -3,-0.2 -3,-0.1 -0.960 68.9 3.8-161.9 141.0 -2.8 54.6 17.6 52 1052 A H T 3 S- 0 0 152 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.753 128.1 -54.0 57.9 27.8 -4.0 58.0 18.8 53 1053 A G T 3 S+ 0 0 81 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.399 112.5 119.4 90.0 -4.4 -4.4 59.3 15.3 54 1054 A D E < -F 51 0A 21 -3,-2.0 -3,-2.0 3,-0.1 2,-0.5 -0.795 45.9-162.6 -99.0 138.4 -0.9 58.4 14.3 55 1055 A A E S-F 50 0A 72 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.2 -0.971 76.5 -21.3-121.2 115.3 -0.1 55.9 11.5 56 1056 A N E S+ 0 0 92 -7,-1.5 2,-0.4 -2,-0.5 -7,-0.2 0.962 98.4 144.5 48.7 62.1 3.4 54.4 11.4 57 1057 A T E -F 48 0A 25 -9,-2.5 -9,-3.0 -3,-0.1 2,-0.7 -0.997 49.1-138.9-133.6 130.5 4.8 57.3 13.5 58 1058 A I E -F 47 0A 0 18,-0.4 16,-1.7 -2,-0.4 2,-0.5 -0.805 26.1-169.7 -88.2 117.4 7.5 57.3 16.1 59 1059 A V E -FG 46 73A 0 -13,-2.3 -13,-2.7 -2,-0.7 2,-0.3 -0.940 4.7-176.1-112.0 129.5 6.4 59.5 18.9 60 1060 A C E +FG 45 72A 0 12,-3.0 12,-2.6 -2,-0.5 2,-0.3 -0.931 9.4 157.6-123.5 148.7 8.8 60.5 21.7 61 1061 A N E -F 44 0A 3 -17,-1.3 -17,-2.5 -2,-0.3 2,-0.3 -0.970 31.4-123.2-158.8 170.1 8.2 62.5 24.8 62 1062 A S E - 0 0 5 -2,-0.3 7,-2.6 -19,-0.2 2,-0.4 -0.766 16.2-147.2-115.2 162.2 9.5 63.2 28.2 63 1063 A K E -FH 41 68A 41 -22,-2.3 -22,-1.6 -2,-0.3 2,-0.6 -0.965 11.2-170.9-136.4 116.6 7.6 63.0 31.5 64 1064 A D E > S- H 0 67A 89 3,-2.8 3,-2.4 -2,-0.4 -24,-0.2 -0.935 75.2 -25.7-112.5 114.4 8.4 65.3 34.3 65 1065 A D T 3 S- 0 0 136 -2,-0.6 -25,-0.2 1,-0.3 -1,-0.2 0.870 129.5 -47.1 52.5 38.2 6.7 64.6 37.7 66 1066 A G T 3 S+ 0 0 35 -27,-2.5 2,-0.5 1,-0.2 -1,-0.3 0.301 114.7 118.5 88.5 -9.2 4.0 62.8 35.8 67 1067 A A E < -H 64 0A 61 -3,-2.4 -3,-2.8 -28,-0.2 -1,-0.2 -0.817 62.6-128.2 -98.8 125.5 3.4 65.5 33.3 68 1068 A W E -H 63 0A 125 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.379 23.6-145.8 -67.2 142.9 4.0 64.8 29.6 69 1069 A G - 0 0 33 -7,-2.6 2,-0.6 1,-0.1 -1,-0.1 0.011 43.2 -53.3 -91.1-158.1 6.3 67.2 27.7 70 1070 A T - 0 0 110 1,-0.1 -1,-0.1 -9,-0.0 -8,-0.1 -0.732 63.2-123.3 -84.7 121.2 6.1 68.4 24.1 71 1071 A E - 0 0 83 -2,-0.6 2,-0.4 -10,-0.1 -10,-0.2 -0.237 19.8-155.9 -65.2 151.0 6.0 65.4 21.8 72 1072 A Q E -G 60 0A 54 -12,-2.6 -12,-3.0 36,-0.0 2,-0.4 -0.976 6.7-160.2-126.4 139.3 8.5 64.9 19.0 73 1073 A R E -G 59 0A 104 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.962 8.6-138.2-124.7 142.1 7.8 62.8 15.9 74 1074 A E - 0 0 32 -16,-1.7 -16,-0.3 -2,-0.4 32,-0.0 -0.495 13.8-130.4 -96.0 166.6 10.2 61.3 13.4 75 1075 A A S S+ 0 0 91 -2,-0.2 2,-0.3 -18,-0.1 -1,-0.1 0.387 85.9 56.5 -95.3 1.8 10.2 61.1 9.6 76 1076 A V - 0 0 40 -18,-0.1 -18,-0.4 2,-0.0 -2,-0.2 -0.904 54.1-164.4-132.6 160.7 10.8 57.3 9.4 77 1077 A F + 0 0 31 -2,-0.3 2,-1.7 -20,-0.1 -20,-0.0 -0.533 11.7 172.9-145.3 73.9 9.2 54.1 10.7 78 1078 A P + 0 0 10 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.238 47.7 105.6 -79.6 50.0 11.6 51.1 10.4 79 1079 A F - 0 0 4 -2,-1.7 6,-0.1 6,-0.1 5,-0.1 -0.993 45.5-173.6-131.0 137.8 9.3 48.8 12.3 80 1080 A Q > - 0 0 101 -2,-0.4 3,-1.2 3,-0.1 -57,-0.3 -0.992 31.0-110.3-135.4 127.2 7.2 46.0 10.8 81 1081 A P T 3 S+ 0 0 59 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.196 104.2 24.1 -52.3 140.8 4.6 43.8 12.6 82 1082 A G T 3 S+ 0 0 49 -59,-1.7 2,-0.3 -58,-0.5 -58,-0.1 0.679 105.3 104.4 76.2 17.5 5.7 40.2 13.0 83 1083 A S S < S- 0 0 52 -3,-1.2 -60,-2.3 -60,-0.3 2,-0.3 -0.950 74.9-108.7-132.0 152.0 9.4 41.1 12.8 84 1084 A V E -P 22 0B 90 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.580 37.3-171.3 -77.6 138.2 12.3 41.5 15.2 85 1085 A A E -P 21 0B 4 -64,-2.8 -64,-2.4 -2,-0.3 2,-0.4 -0.995 8.8-162.5-134.8 139.4 13.4 45.0 15.8 86 1086 A E E -P 20 0B 47 -2,-0.4 2,-0.4 -66,-0.2 -66,-0.2 -0.963 4.4-171.0-123.8 138.3 16.4 46.4 17.7 87 1087 A V E -P 19 0B 0 -68,-2.5 -68,-2.9 -2,-0.4 2,-0.5 -0.974 8.8-154.8-128.3 142.6 16.9 49.9 19.0 88 1088 A C E -PR 18 99B 14 11,-2.3 11,-3.1 -2,-0.4 2,-0.5 -0.974 10.8-171.0-120.5 120.2 20.1 51.4 20.5 89 1089 A I E -PR 17 98B 0 -72,-3.1 -72,-3.2 -2,-0.5 2,-0.5 -0.944 3.2-165.1-116.5 123.5 19.8 54.4 22.9 90 1090 A T E -PR 16 97B 37 7,-3.0 7,-2.8 -2,-0.5 2,-0.5 -0.900 13.1-141.3-108.6 133.7 22.8 56.3 24.1 91 1091 A F E + R 0 96B 0 -76,-2.2 -77,-4.3 -2,-0.5 -76,-0.3 -0.811 26.7 165.8 -97.3 130.2 22.5 58.6 27.1 92 1092 A D - 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