==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 19-AUG-04 1W6M . 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) . 12024.0 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 . 142 53.0 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 . 36 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.6 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 3 3 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 0 140 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -0.2 1.5 41.2 32.0 2 1002 A S - 0 0 89 1,-0.2 2,-0.3 121,-0.1 122,-0.2 0.891 360.0 -68.8 -64.0-103.2 2.5 44.7 31.1 3 1003 A G - 0 0 13 120,-0.1 -1,-0.2 124,-0.1 120,-0.1 -0.983 57.4 -62.6-155.7 162.7 6.2 44.8 30.1 4 1004 A L - 0 0 20 -2,-0.3 118,-2.7 140,-0.1 2,-0.4 -0.159 47.3-166.8 -49.9 133.7 9.7 44.4 31.4 5 1005 A V E -AB 121 142A 33 137,-2.2 137,-3.1 116,-0.2 2,-0.4 -0.996 5.5-176.0-127.9 129.6 10.7 47.0 34.1 6 1006 A A E +AB 120 141A 3 114,-3.2 114,-2.6 -2,-0.4 2,-0.2 -0.990 2.1 179.6-131.4 136.8 14.2 47.5 35.2 7 1007 A S E +AB 119 140A 43 133,-2.6 133,-1.9 -2,-0.4 112,-0.2 -0.777 59.0 44.4-127.4 172.1 15.6 49.8 37.9 8 1008 A N E + 0 0 68 110,-0.7 111,-0.1 -2,-0.2 -1,-0.1 0.776 65.7 142.6 63.7 27.4 19.0 50.7 39.4 9 1009 A L E - 0 0 20 109,-1.3 109,-0.2 -3,-0.2 3,-0.1 0.847 35.8-165.8 -65.8 -36.0 20.5 50.8 35.9 10 1010 A N E - 0 0 72 1,-0.2 2,-0.6 106,-0.1 108,-0.2 0.903 11.5-178.4 46.4 51.8 22.7 53.8 36.7 11 1011 A L E -A 117 0A 5 106,-2.9 106,-2.3 4,-0.0 -1,-0.2 -0.726 12.0-154.4 -81.4 120.1 23.5 54.5 33.1 12 1012 A K > - 0 0 99 -2,-0.6 3,-2.1 104,-0.2 79,-0.3 -0.482 32.7 -69.8 -93.2 166.0 25.9 57.4 33.1 13 1013 A P T 3 S+ 0 0 62 0, 0.0 79,-0.2 0, 0.0 -1,-0.2 -0.280 122.0 27.4 -55.4 132.7 26.4 60.0 30.3 14 1014 A G T 3 S+ 0 0 64 77,-4.1 2,-0.3 1,-0.3 78,-0.1 0.286 91.8 121.9 98.3 -10.4 28.1 58.4 27.3 15 1015 A E < - 0 0 36 -3,-2.1 76,-1.6 76,-0.2 2,-0.4 -0.668 54.0-136.8 -90.5 142.7 26.7 54.9 27.9 16 1016 A X E -P 90 0B 29 -2,-0.3 118,-0.9 74,-0.2 2,-0.5 -0.809 7.4-156.7-103.2 137.2 24.6 53.1 25.3 17 1017 A L E -PQ 89 133B 1 72,-3.0 72,-3.4 -2,-0.4 2,-0.5 -0.951 10.0-163.8-110.8 122.9 21.5 51.1 26.0 18 1018 A R E -PQ 88 132B 97 114,-2.7 114,-2.6 -2,-0.5 2,-0.5 -0.944 7.2-176.0-112.4 120.8 20.7 48.5 23.4 19 1019 A V E -PQ 87 131B 1 68,-3.1 68,-2.7 -2,-0.5 2,-0.5 -0.963 4.1-176.0-122.4 121.7 17.1 47.1 23.3 20 1020 A R E +PQ 86 130B 109 110,-2.8 109,-3.2 -2,-0.5 110,-2.0 -0.959 18.9 150.7-116.5 130.5 16.0 44.3 21.0 21 1021 A G E -PQ 85 128B 0 64,-2.7 64,-2.8 -2,-0.5 2,-0.5 -0.900 43.4-101.1-148.7 176.6 12.4 43.1 21.0 22 1022 A E E -PQ 84 127B 81 105,-2.6 105,-3.2 -2,-0.3 2,-0.5 -0.916 27.6-141.1-108.9 124.9 9.6 41.6 18.9 23 1023 A V E -PQ 83 126B 3 60,-1.6 59,-1.2 -2,-0.5 60,-0.6 -0.722 34.4-105.9 -83.0 127.2 6.8 43.8 17.6 24 1024 A A > - 0 0 23 101,-2.4 58,-1.5 -2,-0.5 3,-1.3 -0.077 23.6-118.6 -49.3 151.2 3.4 42.1 17.9 25 1025 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.777 116.4 30.7 -64.5 -26.3 2.0 40.8 14.5 26 1026 A D T 3 S+ 0 0 123 55,-0.0 -2,-0.1 99,-0.0 2,-0.1 -0.311 90.7 166.2-126.3 45.9 -1.0 43.1 15.0 27 1027 A A < - 0 0 8 -3,-1.3 3,-0.1 1,-0.1 -4,-0.0 -0.363 25.6-177.6 -69.3 140.7 0.7 45.9 16.9 28 1028 A K S S- 0 0 119 1,-0.5 22,-2.2 21,-0.1 21,-1.0 0.641 70.4 -41.7-105.1 -27.8 -1.0 49.3 17.3 29 1029 A S B -C 48 0A 28 19,-0.2 96,-2.1 20,-0.2 -1,-0.5 -0.884 52.4-150.9 171.8 161.4 2.0 50.9 19.2 30 1030 A F E -D 124 0A 1 17,-1.6 2,-0.3 94,-0.3 94,-0.3 -0.963 11.0-140.5-146.3 161.5 4.6 50.2 21.9 31 1031 A V E -D 123 0A 14 92,-3.7 92,-2.0 -2,-0.3 2,-0.4 -0.950 11.4-169.8-130.9 150.3 6.5 52.2 24.4 32 1032 A L E -DE 122 45A 0 13,-1.7 13,-2.6 -2,-0.3 2,-0.4 -0.953 19.6-164.8-135.6 109.2 10.0 52.3 25.8 33 1033 A N E +DE 121 44A 21 88,-3.6 88,-2.4 -2,-0.4 2,-0.3 -0.857 9.9 176.7-104.1 134.2 10.3 54.5 28.9 34 1034 A L E +DE 120 43A 0 9,-2.4 9,-2.2 -2,-0.4 8,-1.1 -0.977 28.7 85.1-132.1 145.0 13.6 55.8 30.3 35 1035 A G E S-DE 119 41A 0 84,-1.9 84,-2.4 -2,-0.3 83,-1.5 -0.975 85.9 -51.8 166.2-151.3 14.2 58.1 33.2 36 1036 A K E S- 0 0 126 4,-2.9 2,-0.3 1,-0.3 5,-0.2 0.857 109.8 -30.9 -86.7 -43.6 14.6 58.5 37.0 37 1037 A D E > S- E 0 40A 58 3,-1.2 3,-1.2 82,-0.1 -1,-0.3 -0.892 82.4 -67.4-158.4-174.5 11.3 56.6 37.7 38 1038 A S T 3 S+ 0 0 64 -2,-0.3 3,-0.2 1,-0.2 -4,-0.0 0.615 132.1 41.6 -62.6 -12.6 7.8 56.1 36.3 39 1039 A N T 3 S+ 0 0 80 1,-0.2 27,-2.6 26,-0.0 2,-0.4 0.463 111.4 55.5-112.8 -4.5 6.9 59.7 36.8 40 1040 A N E < +E 37 0A 34 -3,-1.2 -4,-2.9 24,-0.2 -3,-1.2 -0.813 69.0 171.7-132.3 90.6 10.2 61.3 35.7 41 1041 A L E -EF 35 63A 2 22,-1.8 22,-2.2 -2,-0.4 -6,-0.3 -0.877 27.2-171.4-107.4 127.2 11.1 60.2 32.2 42 1042 A C E S+ 0 0 0 -8,-1.1 2,-0.3 -2,-0.5 69,-0.2 0.700 87.1 26.3 -83.5 -18.7 13.9 61.7 30.1 43 1043 A L E -E 34 0A 0 -9,-2.2 -9,-2.4 20,-0.1 2,-0.8 -0.873 52.8-178.9-152.3 116.8 12.5 59.7 27.2 44 1044 A H E -EF 33 61A 23 17,-2.2 17,-1.2 -2,-0.3 2,-0.8 -0.907 21.1-166.9-109.9 95.8 9.1 58.3 26.3 45 1045 A F E +EF 32 60A 0 -13,-2.6 -13,-1.7 -2,-0.8 15,-0.2 -0.797 13.3 172.3 -89.7 108.3 9.9 56.5 23.0 46 1046 A N E - F 0 59A 7 13,-2.8 13,-2.1 -2,-0.8 2,-0.4 -0.720 16.9-170.2-127.3 84.1 6.5 55.8 21.4 47 1047 A P E - F 0 58A 0 0, 0.0 -17,-1.6 0, 0.0 2,-0.6 -0.578 15.3-160.0 -71.0 124.7 6.3 54.3 17.9 48 1048 A R E +CF 29 57A 20 9,-3.3 9,-2.6 -2,-0.4 8,-0.3 -0.918 22.3 176.7-114.0 112.5 2.7 54.4 16.8 49 1049 A F E S- 0 0 11 -21,-1.0 7,-1.7 -2,-0.6 -20,-0.2 0.944 88.2 -14.8 -72.5 -48.9 1.5 52.2 14.0 50 1050 A N E S+ F 0 55A 103 -22,-2.2 2,-0.3 5,-0.2 -1,-0.2 -0.675 100.1 113.2-158.1 93.2 -2.1 53.3 14.4 51 1051 A A E > S+ F 0 54A 18 3,-2.1 3,-2.0 -3,-0.2 -3,-0.0 -0.933 70.2 5.9-166.6 141.0 -3.0 55.1 17.6 52 1052 A H T 3 S- 0 0 157 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.807 129.1 -52.4 54.8 36.0 -4.1 58.6 18.8 53 1053 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.376 113.2 118.9 85.2 -6.2 -4.5 59.9 15.3 54 1054 A D E < -F 51 0A 18 -3,-2.0 -3,-2.1 3,-0.1 2,-0.5 -0.795 44.3-166.6 -98.4 135.5 -0.9 58.8 14.3 55 1055 A A E S-F 50 0A 71 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.2 -0.977 78.1 -19.7-120.8 116.4 -0.2 56.3 11.5 56 1056 A N E S+ 0 0 93 -7,-1.7 2,-0.4 -2,-0.5 -7,-0.2 0.959 98.7 144.3 48.5 61.4 3.3 55.0 11.5 57 1057 A T E -F 48 0A 25 -9,-2.6 -9,-3.3 -3,-0.1 2,-0.6 -0.997 47.5-141.3-132.9 129.9 4.7 57.9 13.6 58 1058 A I E -F 47 0A 0 -2,-0.4 16,-1.6 18,-0.4 2,-0.5 -0.808 24.8-169.8 -89.2 121.1 7.4 57.8 16.2 59 1059 A V E -FG 46 73A 0 -13,-2.1 -13,-2.8 -2,-0.6 2,-0.4 -0.957 4.9-174.9-116.5 130.9 6.4 60.1 19.0 60 1060 A C E +FG 45 72A 0 12,-2.6 12,-2.5 -2,-0.5 2,-0.3 -0.937 9.7 160.5-123.8 146.7 8.8 61.0 21.8 61 1061 A N E -F 44 0A 4 -17,-1.2 -17,-2.2 -2,-0.4 2,-0.3 -0.970 29.6-125.0-155.7 167.6 8.1 63.1 25.0 62 1062 A S E - 0 0 5 -2,-0.3 7,-2.0 -19,-0.2 2,-0.4 -0.725 13.9-150.8-112.7 164.7 9.4 63.8 28.4 63 1063 A K E -FH 41 68A 40 -22,-2.2 -22,-1.8 -2,-0.3 2,-0.7 -0.911 9.1-171.0-142.2 109.8 7.6 63.5 31.7 64 1064 A D E > S- H 0 67A 89 3,-2.3 3,-1.7 -2,-0.4 -24,-0.2 -0.900 75.0 -27.8-107.5 109.6 8.6 65.8 34.6 65 1065 A D T 3 S- 0 0 127 -2,-0.7 -25,-0.2 -26,-0.3 -1,-0.2 0.889 128.4 -44.9 55.9 43.1 6.9 64.9 37.9 66 1066 A G T 3 S+ 0 0 35 -27,-2.6 2,-0.5 1,-0.2 -1,-0.3 0.151 114.7 113.6 90.6 -19.4 3.9 63.4 36.2 67 1067 A A E < -H 64 0A 62 -3,-1.7 -3,-2.3 -28,-0.2 -1,-0.2 -0.767 62.9-131.0 -94.2 126.3 3.4 66.2 33.6 68 1068 A W E -H 63 0A 125 -2,-0.5 -5,-0.2 -5,-0.2 2,-0.1 -0.377 21.8-148.9 -69.6 148.8 3.9 65.4 29.9 69 1069 A G - 0 0 33 -7,-2.0 2,-0.4 1,-0.1 -1,-0.1 -0.184 42.4 -50.6-101.5-161.8 6.1 67.8 27.9 70 1070 A T - 0 0 109 -2,-0.1 -1,-0.1 1,-0.1 -8,-0.1 -0.632 61.4-123.7 -79.1 125.9 6.0 68.9 24.3 71 1071 A E - 0 0 85 -2,-0.4 2,-0.4 -10,-0.1 -10,-0.2 -0.287 18.9-155.0 -68.3 150.2 5.9 65.9 21.9 72 1072 A Q E -G 60 0A 55 -12,-2.5 -12,-2.6 -2,-0.0 2,-0.4 -0.971 7.0-157.4-124.9 140.9 8.5 65.5 19.1 73 1073 A R E -G 59 0A 109 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.966 6.8-140.0-124.6 139.8 7.8 63.5 15.9 74 1074 A E - 0 0 31 -16,-1.6 -16,-0.3 -2,-0.4 32,-0.0 -0.507 13.1-132.9 -95.0 163.9 10.2 61.8 13.5 75 1075 A A S S+ 0 0 92 -2,-0.2 2,-0.3 -18,-0.1 -1,-0.1 0.378 85.2 55.9 -95.1 0.8 10.2 61.6 9.7 76 1076 A V - 0 0 42 -18,-0.1 -18,-0.4 2,-0.0 -2,-0.1 -0.914 54.4-166.1-132.2 159.2 10.9 57.9 9.5 77 1077 A F + 0 0 32 -2,-0.3 2,-1.6 -20,-0.1 -20,-0.0 -0.568 10.7 173.4-146.2 74.5 9.2 54.7 10.8 78 1078 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 24,-0.1 -0.292 47.0 105.5 -82.2 54.5 11.5 51.7 10.4 79 1079 A F - 0 0 6 -2,-1.6 5,-0.1 6,-0.1 6,-0.1 -0.986 45.9-170.9-133.4 143.5 9.2 49.3 12.3 80 1080 A Q - 0 0 108 -2,-0.3 3,-0.5 3,-0.2 -57,-0.2 -0.998 32.1-104.0-138.1 133.5 7.0 46.5 11.0 81 1081 A P S S+ 0 0 66 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.249 104.1 17.3 -55.2 135.8 4.3 44.4 12.9 82 1082 A G S S+ 0 0 49 -58,-1.5 2,-0.3 -59,-1.2 -58,-0.2 0.933 104.0 104.4 68.2 47.5 5.5 40.9 13.6 83 1083 A S E S-P 23 0B 36 -60,-0.6 -60,-1.6 -3,-0.5 -1,-0.2 -0.981 75.2 -97.0-157.8 146.0 9.3 41.5 13.2 84 1084 A V E -P 22 0B 87 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.402 40.5-173.9 -66.5 135.1 12.3 41.9 15.4 85 1085 A A E -P 21 0B 2 -64,-2.8 -64,-2.7 -2,-0.1 2,-0.4 -0.998 8.1-164.5-135.6 134.7 13.4 45.5 16.1 86 1086 A E E -P 20 0B 44 -2,-0.4 2,-0.4 -66,-0.2 -66,-0.2 -0.951 4.2-172.3-121.6 138.4 16.4 46.9 17.8 87 1087 A V E -P 19 0B 1 -68,-2.7 -68,-3.1 -2,-0.4 2,-0.5 -0.985 9.7-154.6-130.5 139.3 17.0 50.4 19.2 88 1088 A C E -PR 18 99B 15 11,-2.3 11,-3.1 -2,-0.4 2,-0.5 -0.963 11.3-169.4-116.9 122.7 20.1 51.9 20.6 89 1089 A I E -PR 17 98B 1 -72,-3.4 -72,-3.0 -2,-0.5 2,-0.4 -0.947 1.8-165.2-118.1 121.6 19.8 54.8 23.0 90 1090 A T E -PR 16 97B 45 7,-3.3 7,-2.8 -2,-0.5 2,-0.4 -0.856 12.5-140.2-106.7 140.9 22.8 56.9 24.1 91 1091 A F E + R 0 96B 1 -76,-1.6 -77,-4.1 -2,-0.4 2,-0.3 -0.842 26.3 164.0-104.9 132.8 22.6 59.2 27.1 92 1092 A D - 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