==== 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 19-AUG-04 1W6N . COMPND 2 MOLECULE: GALECTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.I.F.LOPEZ-LUCENDO,D.SOLIS,H.KALTNER,H.J.GABIUS,A.ROMERO . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 76.5 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 . 37 13.8 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 2 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 1001 A A 0 0 154 0, 0.0 2,-0.1 0, 0.0 142,-0.0 0.000 360.0 360.0 360.0 -14.6 0.3 41.8 32.0 2 1002 A S - 0 0 66 1,-0.1 2,-0.2 121,-0.1 121,-0.2 -0.271 360.0 -75.1-125.9-148.3 2.8 44.4 30.9 3 1003 A G - 0 0 13 119,-0.7 -1,-0.1 1,-0.2 120,-0.1 -0.601 59.6 -59.7-115.0 178.4 6.4 44.5 29.8 4 1004 A L - 0 0 19 -2,-0.2 118,-2.8 140,-0.1 2,-0.4 -0.228 45.7-163.6 -57.8 140.5 9.8 44.1 31.3 5 1005 A V E -AB 121 142A 31 137,-2.2 137,-3.0 116,-0.2 2,-0.4 -0.992 7.0-175.8-130.2 123.0 10.8 46.7 34.0 6 1006 A A E -AB 120 141A 2 114,-3.3 114,-2.5 -2,-0.4 2,-0.3 -0.974 2.0-179.1-124.7 134.1 14.4 47.2 35.1 7 1007 A S E +AB 119 140A 40 133,-3.0 133,-2.2 -2,-0.4 112,-0.2 -0.801 59.6 41.4-125.1 167.2 15.7 49.5 37.8 8 1008 A N E + 0 0 65 110,-0.9 111,-0.2 -2,-0.3 -1,-0.2 0.815 65.1 146.9 66.0 31.6 19.1 50.4 39.3 9 1009 A L E - 0 0 23 109,-1.4 109,-0.2 -3,-0.2 3,-0.2 0.844 34.6-163.5 -66.2 -35.0 20.5 50.5 35.7 10 1010 A N E + 0 0 72 1,-0.2 2,-0.6 128,-0.1 108,-0.2 0.879 16.0 179.0 49.9 43.9 22.9 53.3 36.6 11 1011 A L E -A 117 0A 4 106,-2.9 106,-2.4 4,-0.0 -1,-0.2 -0.677 11.5-156.5 -78.5 119.3 23.5 54.1 32.9 12 1012 A K > - 0 0 85 -2,-0.6 3,-2.2 104,-0.2 79,-0.3 -0.501 30.2 -70.5 -96.5 165.6 25.9 57.0 32.7 13 1013 A P T 3 S+ 0 0 59 0, 0.0 79,-0.3 0, 0.0 -1,-0.2 -0.223 121.0 24.0 -53.3 135.8 26.5 59.6 30.0 14 1014 A G T 3 S+ 0 0 51 77,-4.1 2,-0.2 1,-0.3 78,-0.1 0.196 96.7 117.9 92.5 -16.7 28.2 58.1 26.9 15 1015 A E < - 0 0 50 -3,-2.2 76,-2.1 76,-0.3 2,-0.4 -0.580 54.9-140.1 -86.2 148.8 26.9 54.6 27.7 16 1016 A X E -P 90 0B 33 118,-0.9 118,-2.2 -2,-0.2 2,-0.5 -0.892 6.5-153.9-117.1 140.0 24.5 52.8 25.3 17 1017 A L E -PQ 89 133B 0 72,-3.2 72,-3.2 -2,-0.4 2,-0.5 -0.939 11.5-161.6-109.2 124.0 21.4 50.7 25.9 18 1018 A R E -PQ 88 132B 98 114,-2.5 114,-2.6 -2,-0.5 2,-0.5 -0.933 8.1-174.3-110.1 122.7 20.6 48.1 23.2 19 1019 A V E -PQ 87 131B 2 68,-3.1 68,-2.6 -2,-0.5 2,-0.4 -0.965 3.1-177.1-123.1 120.8 17.1 46.7 23.2 20 1020 A R E +PQ 86 130B 108 110,-2.9 109,-3.4 -2,-0.5 110,-2.0 -0.940 17.0 148.0-116.4 136.3 15.9 43.9 20.9 21 1021 A G E -PQ 85 128B 0 64,-2.4 64,-2.8 -2,-0.4 2,-0.5 -0.966 45.1 -96.4-157.5 172.4 12.4 42.6 20.7 22 1022 A E E -PQ 84 127B 78 105,-2.6 105,-2.6 -2,-0.3 2,-0.5 -0.851 29.8-139.4-100.8 126.1 9.6 41.1 18.6 23 1023 A V E - Q 0 126B 3 60,-2.6 59,-1.7 -2,-0.5 60,-0.4 -0.739 32.6-111.0 -83.7 125.5 7.0 43.4 17.2 24 1024 A A > - 0 0 25 101,-1.8 3,-1.7 -2,-0.5 58,-0.5 -0.160 20.2-118.6 -54.8 148.0 3.6 41.7 17.5 25 1025 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.810 116.5 31.2 -58.3 -32.8 1.9 40.6 14.2 26 1026 A D T 3 S+ 0 0 126 55,-0.0 -2,-0.1 56,-0.0 99,-0.0 -0.150 89.3 165.5-118.3 36.1 -1.0 42.9 14.9 27 1027 A A < + 0 0 9 -3,-1.7 3,-0.1 1,-0.2 -4,-0.0 -0.226 21.1 179.3 -56.9 138.5 0.9 45.6 16.8 28 1028 A K - 0 0 127 1,-0.5 22,-2.4 21,-0.1 21,-1.4 0.621 68.5 -37.4-109.2 -29.2 -0.9 48.9 17.2 29 1029 A S B -C 48 0A 27 19,-0.3 96,-2.4 20,-0.2 -1,-0.5 -0.887 53.3-155.7 174.1 157.1 2.0 50.5 19.2 30 1030 A F E -D 124 0A 0 17,-1.9 2,-0.4 94,-0.3 94,-0.3 -0.952 10.0-143.7-144.7 163.7 4.6 49.8 21.7 31 1031 A V E -D 123 0A 17 92,-3.1 92,-2.5 -2,-0.3 2,-0.4 -0.983 12.2-170.0-136.4 145.2 6.6 51.8 24.3 32 1032 A L E -DE 122 45A 3 13,-2.0 13,-2.9 -2,-0.4 2,-0.4 -0.987 20.3-164.6-129.2 115.1 10.1 51.9 25.7 33 1033 A N E +DE 121 44A 28 88,-3.5 88,-2.3 -2,-0.4 2,-0.4 -0.894 8.7 179.9-107.1 135.1 10.4 54.2 28.7 34 1034 A L E +DE 120 43A 2 9,-2.6 9,-2.2 -2,-0.4 8,-1.4 -0.985 28.5 86.0-131.2 142.1 13.7 55.4 30.2 35 1035 A G E S-DE 119 41A 0 84,-2.2 84,-2.4 -2,-0.4 83,-1.5 -0.977 84.1 -52.7 169.5-154.5 14.3 57.7 33.1 36 1036 A K E S- 0 0 125 4,-2.6 2,-0.3 1,-0.3 5,-0.1 0.863 109.7 -31.9 -83.5 -43.2 14.8 58.1 36.8 37 1037 A D E > S- E 0 40A 56 3,-1.2 3,-1.4 82,-0.1 -1,-0.3 -0.905 82.0 -67.8-160.7-176.4 11.5 56.3 37.6 38 1038 A S T 3 S+ 0 0 57 -2,-0.3 3,-0.2 1,-0.3 -4,-0.0 0.708 131.4 41.2 -58.8 -23.1 8.0 55.7 36.2 39 1039 A N T 3 S+ 0 0 84 1,-0.2 27,-2.8 26,-0.1 2,-0.4 0.433 111.8 57.1-105.3 -1.4 7.0 59.3 36.7 40 1040 A N E < +E 37 0A 29 -3,-1.4 -4,-2.6 25,-0.2 -3,-1.2 -0.793 69.1 170.9-133.0 89.6 10.3 60.9 35.6 41 1041 A L E -EF 35 63A 2 22,-1.6 22,-2.5 -2,-0.4 -6,-0.3 -0.874 27.7-172.2-107.7 128.3 11.1 59.8 32.1 42 1042 A C E S+ 0 0 0 -8,-1.4 2,-0.3 -2,-0.5 69,-0.2 0.680 87.6 25.7 -85.3 -18.6 13.9 61.3 29.9 43 1043 A L E -E 34 0A 0 -9,-2.2 -9,-2.6 20,-0.1 2,-0.8 -0.866 52.7-179.8-153.3 115.8 12.6 59.3 27.0 44 1044 A H E -EF 33 61A 22 17,-2.5 17,-1.4 -2,-0.3 2,-0.8 -0.943 22.6-165.7-108.9 98.8 9.1 57.9 26.3 45 1045 A F E +EF 32 60A 0 -13,-2.9 -13,-2.0 -2,-0.8 15,-0.2 -0.834 12.5 175.1 -93.4 108.6 9.9 56.1 23.0 46 1046 A N E - F 0 59A 7 13,-2.8 13,-2.1 -2,-0.8 2,-0.4 -0.735 17.7-168.5-125.6 86.1 6.5 55.3 21.4 47 1047 A P E - F 0 58A 0 0, 0.0 -17,-1.9 0, 0.0 2,-0.6 -0.588 16.2-160.1 -71.2 123.2 6.3 53.8 17.9 48 1048 A R E +CF 29 57A 18 9,-2.6 9,-2.2 -2,-0.4 8,-0.5 -0.923 22.1 174.8-111.1 112.3 2.7 54.1 16.9 49 1049 A F E S- 0 0 13 -21,-1.4 7,-1.3 -2,-0.6 -20,-0.2 0.927 88.2 -12.9 -76.4 -47.9 1.5 51.8 14.1 50 1050 A N E S+ F 0 55A 114 -22,-2.4 2,-0.3 5,-0.2 -1,-0.2 -0.664 101.7 117.1-156.2 89.0 -2.1 52.9 14.5 51 1051 A A E > + F 0 54A 16 3,-2.1 3,-2.2 -3,-0.2 -3,-0.1 -0.953 68.6 0.5-162.6 140.0 -2.8 54.8 17.6 52 1052 A H T 3 S- 0 0 154 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.772 127.6 -52.5 55.1 31.6 -4.0 58.3 18.8 53 1053 A G T 3 S+ 0 0 82 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.393 112.9 119.3 88.5 -5.1 -4.4 59.5 15.3 54 1054 A D E < -F 51 0A 19 -3,-2.2 -3,-2.1 3,-0.1 2,-0.5 -0.787 45.3-164.3 -98.5 139.2 -0.9 58.5 14.3 55 1055 A A E S-F 50 0A 75 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.2 -0.967 75.1 -22.6-123.6 112.0 -0.2 56.0 11.5 56 1056 A N E S+ 0 0 94 -7,-1.3 2,-0.4 -2,-0.5 -7,-0.2 0.962 98.4 136.7 51.8 60.6 3.3 54.6 11.5 57 1057 A T E -F 48 0A 21 -9,-2.2 -9,-2.6 -3,-0.1 2,-0.6 -0.999 53.3-132.1-140.1 136.8 5.0 57.4 13.4 58 1058 A I E -F 47 0A 0 18,-0.5 16,-1.8 -2,-0.4 2,-0.5 -0.787 26.1-168.2 -85.8 119.3 7.5 57.4 16.2 59 1059 A V E -FG 46 73A 0 -13,-2.1 -13,-2.8 -2,-0.6 2,-0.4 -0.939 4.5-174.8-111.8 130.4 6.4 59.7 19.0 60 1060 A C E +FG 45 72A 0 12,-2.9 12,-2.5 -2,-0.5 2,-0.3 -0.948 9.2 161.2-123.9 146.6 8.8 60.6 21.7 61 1061 A N E -F 44 0A 3 -17,-1.4 -17,-2.5 -2,-0.4 2,-0.3 -0.957 29.7-126.2-154.0 170.1 8.2 62.6 24.9 62 1062 A S E - 0 0 5 -2,-0.3 7,-2.4 -19,-0.2 2,-0.4 -0.768 15.5-148.3-115.2 162.3 9.6 63.4 28.3 63 1063 A K E -FH 41 68A 43 -22,-2.5 -22,-1.6 -2,-0.3 2,-0.6 -0.950 9.5-168.6-138.3 114.6 7.7 63.1 31.6 64 1064 A D E > S- H 0 67A 88 3,-2.7 3,-2.3 -2,-0.4 -24,-0.2 -0.914 74.6 -30.1-109.1 112.1 8.5 65.4 34.4 65 1065 A D T 3 S- 0 0 128 -2,-0.6 -25,-0.2 1,-0.3 -1,-0.2 0.895 129.3 -43.1 48.3 46.2 7.0 64.5 37.8 66 1066 A G T 3 S+ 0 0 37 -27,-2.8 2,-0.5 1,-0.2 -1,-0.3 0.270 114.7 116.8 87.9 -11.2 4.1 62.9 36.0 67 1067 A A E < -H 64 0A 60 -3,-2.3 -3,-2.7 -28,-0.2 -1,-0.2 -0.814 62.3-130.3 -98.9 124.0 3.6 65.7 33.4 68 1068 A W E -H 63 0A 124 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.399 23.4-147.6 -67.0 142.2 4.0 64.9 29.7 69 1069 A G - 0 0 33 -7,-2.4 2,-0.5 1,-0.1 -1,-0.1 0.026 42.2 -53.1 -91.7-156.4 6.3 67.3 27.8 70 1070 A T - 0 0 110 1,-0.1 -1,-0.1 -9,-0.0 -8,-0.1 -0.746 62.1-122.4 -86.8 123.4 6.1 68.4 24.2 71 1071 A E - 0 0 82 -2,-0.5 2,-0.4 -10,-0.1 -10,-0.2 -0.262 19.8-156.1 -66.1 149.8 5.9 65.5 21.8 72 1072 A Q E -G 60 0A 54 -12,-2.5 -12,-2.9 36,-0.0 2,-0.4 -0.967 7.2-159.7-124.1 140.9 8.5 65.0 19.1 73 1073 A R E -G 59 0A 107 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.967 7.9-138.8-126.0 141.6 7.8 63.0 15.9 74 1074 A E - 0 0 32 -16,-1.8 -16,-0.2 -2,-0.4 32,-0.0 -0.504 13.8-130.1 -96.5 167.3 10.2 61.4 13.5 75 1075 A A S S+ 0 0 90 -2,-0.2 2,-0.3 -18,-0.1 -1,-0.1 0.374 85.7 54.2 -95.7 2.0 10.2 61.2 9.7 76 1076 A V - 0 0 40 -18,-0.1 -18,-0.5 2,-0.0 -2,-0.2 -0.901 54.5-163.2-133.7 162.5 10.8 57.5 9.4 77 1077 A F + 0 0 33 -2,-0.3 2,-1.7 -20,-0.1 -20,-0.0 -0.534 11.9 173.4-147.3 74.2 9.2 54.3 10.7 78 1078 A P + 0 0 29 0, 0.0 2,-0.4 0, 0.0 24,-0.0 -0.254 47.3 106.7 -80.1 49.8 11.6 51.3 10.4 79 1079 A F - 0 0 12 -2,-1.7 6,-0.1 6,-0.1 5,-0.1 -0.992 46.0-171.8-130.3 137.9 9.3 48.9 12.3 80 1080 A Q > - 0 0 132 -2,-0.4 3,-1.0 3,-0.1 -57,-0.3 -0.994 30.4-110.1-133.3 129.6 7.2 46.1 10.8 81 1081 A P T 3 S+ 0 0 53 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.269 103.7 22.5 -55.8 138.1 4.5 44.0 12.6 82 1082 A G T 3 S+ 0 0 51 -59,-1.7 2,-0.3 -58,-0.5 -58,-0.2 0.781 105.3 101.7 75.8 27.5 5.7 40.4 13.1 83 1083 A S S < S- 0 0 35 -3,-1.0 -60,-2.6 -60,-0.4 2,-0.3 -0.970 75.1-104.2-141.2 156.0 9.4 41.2 12.9 84 1084 A V E -P 22 0B 89 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.587 38.0-173.4 -80.0 140.2 12.3 41.6 15.2 85 1085 A A E -P 21 0B 4 -64,-2.8 -64,-2.4 -2,-0.3 2,-0.4 -0.998 9.4-161.4-137.7 139.9 13.5 45.2 15.8 86 1086 A E E -P 20 0B 43 -2,-0.4 2,-0.4 -66,-0.2 -66,-0.2 -0.969 5.1-172.0-124.1 136.6 16.5 46.6 17.7 87 1087 A V E -P 19 0B 0 -68,-2.6 -68,-3.1 -2,-0.4 2,-0.5 -0.971 8.7-155.1-126.7 141.9 16.9 50.1 19.0 88 1088 A C E -PR 18 99B 16 11,-2.3 11,-3.0 -2,-0.4 2,-0.5 -0.976 9.5-168.8-120.2 123.6 20.1 51.6 20.5 89 1089 A I E -PR 17 98B 2 -72,-3.2 -72,-3.2 -2,-0.5 2,-0.4 -0.946 2.5-164.7-117.3 123.4 19.8 54.5 22.9 90 1090 A T E -PR 16 97B 38 7,-2.9 7,-2.6 -2,-0.5 2,-0.5 -0.891 13.3-141.5-107.4 135.7 22.8 56.5 24.0 91 1091 A F E + R 0 96B 0 -76,-2.1 -77,-4.1 -2,-0.4 -76,-0.3 -0.831 26.6 165.7-100.0 130.7 22.6 58.7 27.0 92 1092 A D - 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