==== 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 21-AUG-04 1W6Q . 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) . 12230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 75.4 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 . 34 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 4.9 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 2 4 4 4 3 4 1 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 0 131 0, 0.0 2,-0.1 0, 0.0 142,-0.0 0.000 360.0 360.0 360.0 -68.2 13.7 31.7 83.1 2 1002 A C - 0 0 75 1,-0.4 121,-0.2 121,-0.1 3,-0.1 -0.274 360.0 -46.1-133.2-141.3 14.6 29.8 79.9 3 1003 A G S S- 0 0 19 119,-1.6 -1,-0.4 1,-0.2 124,-0.1 -0.197 86.7 -42.2 -89.7-172.5 15.2 30.6 76.3 4 1004 A L - 0 0 15 117,-0.1 118,-2.1 140,-0.1 2,-0.5 -0.232 55.5-163.5 -53.7 132.2 13.2 32.9 74.0 5 1005 A V E -AB 121 142A 31 137,-2.2 137,-2.6 116,-0.2 2,-0.4 -0.987 8.5-176.3-120.5 128.9 9.4 32.5 74.4 6 1006 A A E +AB 120 141A 4 114,-3.4 114,-2.7 -2,-0.5 2,-0.3 -0.993 3.0 178.8-133.3 131.7 7.2 33.8 71.6 7 1007 A S E +AB 119 140A 39 133,-2.8 133,-1.7 -2,-0.4 112,-0.2 -0.778 59.8 42.1-124.2 168.6 3.4 33.9 71.4 8 1008 A N E + 0 0 72 110,-0.8 111,-0.2 -2,-0.3 -1,-0.1 0.719 65.1 145.9 67.3 22.8 0.8 35.2 69.0 9 1009 A L E - 0 0 17 109,-1.9 109,-0.2 -3,-0.2 130,-0.1 0.816 35.9-163.2 -59.0 -33.5 2.9 33.8 66.1 10 1010 A N E + 0 0 77 1,-0.2 2,-0.3 128,-0.1 108,-0.2 0.841 16.7 175.7 49.1 43.1 -0.2 32.9 64.1 11 1011 A L E -A 117 0A 2 106,-2.7 106,-2.4 4,-0.0 -1,-0.2 -0.616 12.7-156.7 -77.8 134.0 1.7 30.5 61.8 12 1012 A K > - 0 0 88 -2,-0.3 3,-1.8 104,-0.2 79,-0.2 -0.666 31.9 -65.6-111.2 166.5 -0.8 28.8 59.4 13 1013 A P T 3 S+ 0 0 67 0, 0.0 79,-0.2 0, 0.0 -1,-0.2 -0.160 121.6 12.9 -48.7 137.0 -0.7 25.6 57.4 14 1014 A G T 3 S+ 0 0 58 77,-2.1 2,-0.1 1,-0.3 78,-0.1 0.013 95.7 123.0 84.9 -31.2 2.0 25.6 54.8 15 1015 A E < - 0 0 37 -3,-1.8 2,-0.5 76,-0.1 76,-0.3 -0.432 60.7-127.4 -68.3 138.5 3.7 28.7 56.2 16 1016 A X - 0 0 39 -2,-0.1 118,-1.8 74,-0.1 2,-0.6 -0.758 15.7-162.1 -96.5 126.9 7.4 28.2 57.0 17 1017 A L E -PQ 89 133B 0 72,-3.1 72,-3.4 -2,-0.5 2,-0.5 -0.930 14.0-166.2-103.7 117.1 8.8 29.1 60.5 18 1018 A R E -PQ 88 132B 111 114,-2.6 114,-2.6 -2,-0.6 2,-0.4 -0.930 5.9-174.6-111.3 131.5 12.6 29.4 60.2 19 1019 A V E -PQ 87 131B 3 68,-2.6 68,-2.5 -2,-0.5 2,-0.5 -0.986 6.2-170.2-128.1 128.2 14.7 29.5 63.3 20 1020 A R E +PQ 86 130B 90 110,-2.8 109,-3.2 -2,-0.4 110,-2.0 -0.966 21.3 156.6-117.5 130.6 18.4 30.1 63.5 21 1021 A G E -PQ 85 128B 0 64,-2.8 64,-2.8 -2,-0.5 2,-0.5 -0.936 40.6-109.9-147.9 171.6 20.3 29.5 66.8 22 1022 A E E -PQ 84 127B 75 105,-2.5 105,-2.5 -2,-0.3 2,-0.5 -0.918 25.2-143.1-109.6 122.6 23.6 28.7 68.4 23 1023 A V E -PQ 83 126B 3 60,-3.8 60,-0.8 -2,-0.5 103,-0.2 -0.732 31.7-110.6 -83.9 127.9 24.1 25.4 70.0 24 1024 A A > - 0 0 25 101,-2.4 58,-2.9 -2,-0.5 3,-1.5 -0.147 19.3-120.0 -55.6 151.5 26.2 25.7 73.2 25 1025 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.747 116.5 41.8 -66.2 -24.3 29.7 24.3 73.1 26 1026 A D T 3 S+ 0 0 106 55,-0.1 -2,-0.1 99,-0.0 99,-0.1 -0.036 87.3 169.4-110.6 28.1 28.9 21.9 76.0 27 1027 A A < + 0 0 8 -3,-1.5 3,-0.1 1,-0.2 -4,-0.0 -0.183 18.8 168.1 -50.1 116.3 25.5 21.1 74.6 28 1028 A K S S- 0 0 118 1,-0.5 22,-2.1 21,-0.1 21,-1.0 0.699 70.8 -40.0 -97.3 -29.6 23.8 18.2 76.5 29 1029 A S B -C 48 0A 25 19,-0.2 96,-3.1 20,-0.2 -1,-0.5 -0.936 52.5-152.3 176.2 165.0 20.5 18.9 74.8 30 1030 A F E -D 124 0A 1 17,-1.5 2,-0.4 94,-0.3 94,-0.3 -0.978 10.5-142.9-151.2 159.1 18.1 21.7 73.7 31 1031 A V E -D 123 0A 17 92,-3.1 92,-2.1 -2,-0.3 2,-0.5 -0.970 10.3-170.8-131.9 143.8 14.4 22.0 73.1 32 1032 A L E -DE 122 45A 1 13,-1.9 13,-3.3 -2,-0.4 2,-0.5 -0.984 16.6-166.1-130.4 115.7 12.2 23.8 70.6 33 1033 A N E +DE 121 44A 26 88,-3.2 88,-2.3 -2,-0.5 2,-0.4 -0.914 8.0 179.0-108.2 133.0 8.5 23.8 71.6 34 1034 A L E +DE 120 43A 0 9,-3.0 9,-2.5 -2,-0.5 8,-1.2 -0.995 28.4 87.1-132.0 136.3 5.8 24.7 69.2 35 1035 A G E S-DE 119 41A 0 84,-2.1 84,-2.5 -2,-0.4 83,-1.4 -0.956 84.8 -54.2 174.9-153.2 2.0 24.8 69.7 36 1036 A K E S- 0 0 117 4,-2.6 2,-0.3 1,-0.3 -28,-0.2 0.881 109.9 -32.5 -81.8 -47.2 -1.0 26.7 70.9 37 1037 A D E > S- E 0 40A 49 3,-1.1 3,-1.4 82,-0.1 -1,-0.3 -0.902 82.5 -67.1-158.3-176.3 0.6 27.5 74.3 38 1038 A S T 3 S+ 0 0 58 -2,-0.3 3,-0.2 1,-0.3 -4,-0.0 0.659 132.0 43.0 -58.6 -18.2 3.0 26.0 76.9 39 1039 A N T 3 S+ 0 0 81 1,-0.2 27,-2.6 26,-0.0 2,-0.5 0.514 111.8 55.5-104.5 -8.7 0.5 23.3 77.7 40 1040 A N E < +E 37 0A 35 -3,-1.4 -4,-2.6 24,-0.2 -3,-1.1 -0.806 67.9 168.4-130.0 91.2 -0.6 22.4 74.2 41 1041 A L E -EF 35 63A 2 22,-1.4 22,-2.3 -2,-0.5 -6,-0.3 -0.907 26.4-172.7-110.1 121.6 2.4 21.6 72.0 42 1042 A C E S+ 0 0 3 -8,-1.2 2,-0.3 -2,-0.5 69,-0.3 0.701 86.6 28.4 -80.5 -19.9 2.0 20.1 68.6 43 1043 A L E +E 34 0A 0 -9,-2.5 -9,-3.0 -3,-0.1 2,-0.6 -0.913 51.7 178.1-150.6 124.4 5.8 19.7 68.7 44 1044 A H E -EF 33 61A 21 17,-2.1 17,-1.1 -2,-0.3 2,-0.7 -0.967 22.0-165.7-116.0 102.2 8.4 19.3 71.4 45 1045 A F E +EF 32 60A 2 -13,-3.3 -13,-1.9 -2,-0.6 15,-0.2 -0.859 13.1 172.4 -96.3 111.9 11.7 19.0 69.4 46 1046 A N E - F 0 59A 8 13,-2.8 13,-1.9 -2,-0.7 2,-0.3 -0.656 14.4-171.4-126.8 79.4 14.4 17.6 71.7 47 1047 A P E - F 0 58A 0 0, 0.0 -17,-1.5 0, 0.0 2,-0.6 -0.533 14.7-158.8 -68.2 126.1 17.7 16.7 70.2 48 1048 A R E +CF 29 57A 20 9,-3.2 9,-2.5 -2,-0.3 -19,-0.2 -0.926 20.8 175.4-111.7 111.6 19.7 15.0 73.0 49 1049 A F E S- 0 0 10 -21,-1.0 7,-1.9 -2,-0.6 -20,-0.2 0.936 88.1 -21.7 -74.6 -49.6 23.5 14.9 72.6 50 1050 A N E S+ F 0 55A 110 -22,-2.1 2,-0.4 5,-0.3 5,-0.2 -0.401 98.3 128.6-161.8 68.6 24.0 13.3 75.9 51 1051 A A E > S- F 0 54A 10 3,-1.2 3,-1.5 -3,-0.0 -3,-0.0 -0.985 70.3 -14.9-130.1 141.3 21.0 13.9 78.2 52 1052 A H T 3 S- 0 0 143 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.213 124.7 -36.6 59.7-159.3 19.1 11.2 80.2 53 1053 A G T 3 S+ 0 0 83 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.434 120.9 102.5 -75.3 6.9 19.9 7.7 79.0 54 1054 A D E < -F 51 0A 29 -3,-1.5 -3,-1.2 3,-0.1 2,-0.4 -0.716 48.4-175.5 -99.4 140.4 20.1 9.2 75.5 55 1055 A A E S-F 50 0A 60 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.2 -0.999 71.3 -17.0-132.7 121.7 23.1 10.1 73.4 56 1056 A N E S+ 0 0 92 -7,-1.9 2,-0.3 -2,-0.4 -7,-0.2 0.888 100.0 126.0 54.9 49.9 23.0 11.8 70.0 57 1057 A T E -F 48 0A 18 -9,-2.5 -9,-3.2 -11,-0.1 2,-0.5 -0.997 57.0-130.1-141.5 139.2 19.3 11.1 69.5 58 1058 A I E -FG 47 74A 0 16,-0.5 16,-1.9 -2,-0.3 2,-0.5 -0.806 20.4-165.1 -95.1 128.4 16.3 13.3 68.7 59 1059 A V E -FG 46 73A 0 -13,-1.9 -13,-2.8 -2,-0.5 2,-0.3 -0.943 7.8-177.5-113.4 130.0 13.2 12.9 70.8 60 1060 A C E +FG 45 72A 8 12,-2.5 12,-2.6 -2,-0.5 2,-0.3 -0.928 11.3 149.2-125.4 151.2 9.9 14.4 69.7 61 1061 A N E -F 44 0A 4 -17,-1.1 -17,-2.1 -2,-0.3 2,-0.3 -0.932 31.7-126.3-162.9 178.6 6.6 14.4 71.4 62 1062 A S E - 0 0 7 -2,-0.3 7,-2.2 -19,-0.2 2,-0.4 -0.763 13.1-142.6-128.7 173.7 3.4 16.5 71.8 63 1063 A K E -FH 41 68A 43 -22,-2.3 -22,-1.4 -2,-0.3 2,-0.5 -0.957 12.0-169.5-144.5 122.2 1.6 17.8 74.9 64 1064 A D E > S- H 0 67A 99 3,-2.8 3,-2.2 -2,-0.4 -24,-0.2 -0.954 75.5 -22.6-119.2 116.4 -2.2 17.9 75.1 65 1065 A G T 3 S- 0 0 60 -2,-0.5 -25,-0.2 1,-0.3 -1,-0.2 0.855 129.7 -49.4 54.7 34.3 -3.8 19.9 77.9 66 1066 A G T 3 S+ 0 0 34 -27,-2.6 2,-0.5 1,-0.2 -1,-0.3 0.250 114.6 117.2 90.8 -11.9 -0.6 19.5 79.9 67 1067 A A E < -H 64 0A 61 -3,-2.2 -3,-2.8 -28,-0.2 -1,-0.2 -0.798 63.2-127.7 -97.1 126.7 -0.3 15.7 79.3 68 1068 A W E -H 63 0A 126 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.374 21.4-145.1 -68.0 144.2 2.7 14.4 77.3 69 1069 A G - 0 0 34 -7,-2.2 2,-0.4 1,-0.1 -1,-0.1 -0.014 41.9 -59.4 -91.1-158.5 2.0 12.1 74.4 70 1070 A T - 0 0 126 1,-0.1 -1,-0.1 -9,-0.0 -8,-0.0 -0.760 58.2-121.6 -90.8 130.9 4.1 9.1 73.2 71 1071 A E - 0 0 83 -2,-0.4 2,-0.4 -10,-0.1 -10,-0.2 -0.321 17.8-152.1 -71.4 152.7 7.7 10.0 72.2 72 1072 A Q E -G 60 0A 70 -12,-2.6 -12,-2.5 -2,-0.0 2,-0.4 -0.981 10.1-151.9-125.5 135.2 9.1 9.3 68.8 73 1073 A R E -G 59 0A 115 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.918 3.2-155.9-115.9 138.4 12.8 8.7 68.3 74 1074 A E E -G 58 0A 59 -16,-1.9 -16,-0.5 -2,-0.4 32,-0.0 -0.714 13.5-150.7-105.5 157.3 15.0 9.4 65.2 75 1075 A A S S+ 0 0 96 -2,-0.3 2,-0.1 -18,-0.1 -1,-0.1 0.848 77.0 81.2 -91.7 -43.5 18.3 7.8 64.2 76 1076 A V - 0 0 50 1,-0.1 -18,-0.3 -19,-0.1 -2,-0.1 -0.405 53.9-176.8 -67.7 136.2 19.7 10.8 62.4 77 1077 A F + 0 0 33 -2,-0.1 2,-1.6 -20,-0.1 -1,-0.1 -0.636 6.4 174.4-137.5 75.9 21.4 13.4 64.5 78 1078 A P + 0 0 30 0, 0.0 2,-0.3 0, 0.0 24,-0.1 -0.261 48.0 102.6 -78.0 47.6 22.5 16.4 62.3 79 1079 A F - 0 0 21 -2,-1.6 -2,-0.0 6,-0.1 6,-0.0 -0.949 47.1-169.5-133.7 154.1 23.6 18.5 65.2 80 1080 A Q - 0 0 134 -2,-0.3 3,-0.5 3,-0.1 -57,-0.2 -0.998 29.6-104.4-143.8 143.1 26.9 19.5 66.8 81 1081 A P S S+ 0 0 56 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.271 100.9 16.7 -64.2 154.9 27.9 21.3 70.0 82 1082 A G S S+ 0 0 45 -58,-2.9 2,-0.3 1,-0.2 -58,-0.2 0.900 104.3 110.9 48.7 52.3 29.1 24.9 69.8 83 1083 A S E S-P 23 0B 40 -60,-0.8 -60,-3.8 -3,-0.5 2,-0.5 -0.975 73.4 -98.7-149.8 160.8 27.7 25.4 66.3 84 1084 A V E -P 22 0B 87 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.703 38.5-166.6 -84.3 125.3 24.9 27.3 64.5 85 1085 A A E -P 21 0B 8 -64,-2.8 -64,-2.8 -2,-0.5 2,-0.4 -0.907 5.0-165.5-115.4 143.6 21.8 25.3 63.8 86 1086 A E E -P 20 0B 94 -2,-0.4 2,-0.4 -66,-0.2 -66,-0.2 -0.992 7.0-178.6-128.9 131.3 19.0 26.2 61.4 87 1087 A V E -P 19 0B 2 -68,-2.5 -68,-2.6 -2,-0.4 2,-0.5 -0.970 14.5-155.8-130.7 147.8 15.6 24.6 61.2 88 1088 A C E -PR 18 99B 33 11,-2.5 11,-3.1 -2,-0.4 2,-0.4 -0.982 18.0-169.6-123.5 118.0 12.6 25.2 59.0 89 1089 A I E +PR 17 98B 2 -72,-3.4 -72,-3.1 -2,-0.5 2,-0.3 -0.902 15.7 152.1-116.4 138.9 9.3 24.1 60.4 90 1090 A T E - 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