==== 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 SUGAR BINDING PROTEIN 20-AUG-04 1W6O . 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) . 11842.0 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 . 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 . 16 6.0 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+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 0 107 0, 0.0 2,-0.4 0, 0.0 144,-0.1 0.000 360.0 360.0 360.0 2.4 2.2 40.7 30.6 2 1002 A S - 0 0 63 122,-0.1 2,-0.3 2,-0.1 121,-0.1 -0.726 360.0 -72.2 -35.7 -87.1 2.9 43.8 30.7 3 1003 A G - 0 0 10 -2,-0.4 120,-0.1 120,-0.1 142,-0.1 -0.972 52.6 -76.8-153.7 152.9 6.5 44.5 29.7 4 1004 A L - 0 0 19 -2,-0.3 118,-2.6 140,-0.1 2,-0.4 -0.233 43.1-161.7 -55.3 137.2 9.9 44.0 31.2 5 1005 A V E -AB 121 142A 30 137,-2.2 137,-3.3 116,-0.2 2,-0.4 -0.987 8.5-177.1-130.3 118.6 10.8 46.6 33.9 6 1006 A A E +AB 120 141A 2 114,-3.1 114,-2.9 -2,-0.4 2,-0.3 -0.956 2.3 178.7-121.3 135.9 14.4 47.2 35.0 7 1007 A S E +AB 119 140A 41 133,-2.9 133,-2.4 -2,-0.4 112,-0.2 -0.828 58.8 43.7-129.2 165.4 15.6 49.5 37.8 8 1008 A N E + 0 0 71 110,-0.8 111,-0.2 -2,-0.3 -1,-0.1 0.801 65.7 145.4 67.8 31.0 19.0 50.4 39.3 9 1009 A L E - 0 0 24 109,-1.6 109,-0.2 -3,-0.2 3,-0.2 0.855 34.2-165.4 -66.4 -36.9 20.4 50.6 35.8 10 1010 A N E - 0 0 76 1,-0.2 2,-0.7 106,-0.1 108,-0.2 0.899 14.6-178.9 48.0 46.7 22.8 53.4 36.7 11 1011 A L E -A 117 0A 3 106,-3.5 106,-2.5 4,-0.0 -1,-0.2 -0.694 12.4-152.3 -79.4 116.2 23.4 54.0 32.9 12 1012 A K > - 0 0 87 -2,-0.7 3,-2.1 104,-0.2 79,-0.3 -0.419 28.5 -73.9 -90.1 164.0 25.9 56.9 32.7 13 1013 A P T 3 S+ 0 0 56 0, 0.0 79,-0.3 0, 0.0 -1,-0.1 -0.268 120.3 27.0 -55.3 135.7 26.4 59.5 30.0 14 1014 A G T 3 S+ 0 0 51 77,-4.6 2,-0.3 1,-0.4 78,-0.1 0.264 95.7 119.7 94.0 -12.1 28.1 58.1 26.9 15 1015 A E < - 0 0 37 -3,-2.1 76,-2.4 76,-0.4 2,-0.4 -0.637 53.8-141.1 -90.0 146.7 26.7 54.6 27.6 16 1016 A X E -P 90 0B 37 -2,-0.3 118,-2.4 74,-0.2 2,-0.5 -0.862 4.9-154.2-112.8 141.9 24.4 52.8 25.2 17 1017 A L E -PQ 89 133B 0 72,-3.3 72,-3.1 -2,-0.4 2,-0.5 -0.958 10.7-160.8-113.1 122.4 21.4 50.6 25.8 18 1018 A R E -PQ 88 132B 99 114,-2.5 114,-2.6 -2,-0.5 2,-0.5 -0.916 8.7-175.6-107.7 125.5 20.6 48.0 23.2 19 1019 A V E -PQ 87 131B 2 68,-3.1 68,-2.8 -2,-0.5 2,-0.4 -0.976 2.9-177.4-125.8 121.0 17.0 46.6 23.1 20 1020 A R E +PQ 86 130B 110 110,-2.9 109,-3.2 -2,-0.5 110,-2.0 -0.952 17.6 148.9-117.2 135.0 15.9 43.8 20.8 21 1021 A G E -PQ 85 128B 0 64,-2.3 64,-2.7 -2,-0.4 2,-0.5 -0.965 45.1 -98.1-156.3 172.0 12.4 42.6 20.7 22 1022 A E E -PQ 84 127B 86 105,-2.7 105,-2.8 -2,-0.3 2,-0.5 -0.859 29.8-139.6-101.4 124.8 9.6 41.0 18.6 23 1023 A V E - Q 0 126B 2 60,-2.4 59,-1.6 -2,-0.5 60,-0.4 -0.723 32.9-109.1 -82.7 126.2 6.9 43.4 17.2 24 1024 A A > - 0 0 22 101,-2.2 3,-1.9 -2,-0.5 58,-0.5 -0.170 20.0-122.2 -53.0 144.5 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 0.714 117.1 35.3 -63.0 -18.5 2.1 40.6 14.1 26 1026 A D T 3 S+ 0 0 109 99,-0.0 -2,-0.1 55,-0.0 99,-0.0 0.004 89.9 162.8-121.6 24.1 -0.9 42.7 14.9 27 1027 A A < + 0 0 7 -3,-1.9 3,-0.1 1,-0.2 -4,-0.0 -0.106 19.5 173.5 -49.6 138.1 1.0 45.5 16.7 28 1028 A K - 0 0 113 1,-0.5 22,-2.5 21,-0.1 21,-1.3 0.597 69.1 -24.5-115.1 -30.7 -0.8 48.8 17.2 29 1029 A S B -C 48 0A 25 19,-0.2 96,-2.6 20,-0.2 -1,-0.5 -0.915 54.5-167.2-178.7 150.3 1.9 50.4 19.4 30 1030 A F E -D 124 0A 0 17,-1.5 2,-0.3 94,-0.3 94,-0.3 -0.971 11.3-149.0-146.1 158.3 4.7 49.7 21.8 31 1031 A V E -D 123 0A 15 92,-3.5 92,-2.3 -2,-0.3 2,-0.4 -0.970 13.8-167.9-136.0 148.7 6.7 51.7 24.2 32 1032 A L E -DE 122 45A 3 13,-1.9 13,-3.0 -2,-0.3 2,-0.4 -0.985 20.4-165.4-131.0 115.3 10.2 51.8 25.7 33 1033 A N E +DE 121 44A 28 88,-3.3 88,-2.3 -2,-0.4 2,-0.4 -0.900 8.2 179.8-108.6 136.6 10.4 54.2 28.7 34 1034 A L E +DE 120 43A 2 9,-2.5 9,-2.3 -2,-0.4 8,-1.2 -0.988 28.3 87.5-133.5 142.1 13.7 55.3 30.1 35 1035 A G E S-DE 119 41A 0 84,-2.0 84,-2.5 -2,-0.4 83,-1.6 -0.971 84.6 -53.2 169.4-153.8 14.3 57.7 33.1 36 1036 A K E S- 0 0 129 4,-2.6 2,-0.3 1,-0.3 5,-0.1 0.841 110.0 -30.9 -84.8 -40.3 14.7 58.0 36.8 37 1037 A D E > S- E 0 40A 56 3,-1.2 3,-1.3 82,-0.1 -1,-0.3 -0.916 82.1 -67.7-162.2-176.7 11.5 56.2 37.6 38 1038 A S T 3 S+ 0 0 59 -2,-0.3 3,-0.2 1,-0.3 -4,-0.0 0.721 131.1 41.6 -58.2 -24.5 8.0 55.6 36.2 39 1039 A N T 3 S+ 0 0 84 1,-0.2 27,-2.8 26,-0.1 2,-0.4 0.453 112.0 55.9-103.9 -1.5 7.0 59.2 36.6 40 1040 A N E < +E 37 0A 34 -3,-1.3 -4,-2.6 25,-0.2 -3,-1.2 -0.805 68.4 171.0-134.3 91.4 10.2 60.9 35.5 41 1041 A L E -EF 35 63A 2 22,-1.5 22,-2.3 -2,-0.4 -6,-0.3 -0.886 28.1-171.0-109.3 128.2 11.2 59.8 32.0 42 1042 A C E S+ 0 0 0 -8,-1.2 2,-0.3 -2,-0.5 69,-0.3 0.698 88.6 26.8 -82.9 -20.0 13.9 61.3 29.9 43 1043 A L E +E 34 0A 0 -9,-2.3 -9,-2.5 20,-0.1 2,-0.8 -0.874 53.1 179.6-151.3 115.8 12.6 59.2 27.0 44 1044 A H E -EF 33 61A 20 17,-2.5 17,-1.3 -2,-0.3 2,-0.8 -0.943 22.0-165.7-109.0 101.0 9.2 57.8 26.2 45 1045 A F E +EF 32 60A 0 -13,-3.0 -13,-1.9 -2,-0.8 15,-0.2 -0.842 12.6 174.6 -94.8 108.1 9.9 56.0 22.9 46 1046 A N E - F 0 59A 6 13,-2.7 13,-2.4 -2,-0.8 2,-0.6 -0.750 17.1-169.5-124.8 86.2 6.6 55.3 21.3 47 1047 A P E - F 0 58A 0 0, 0.0 -17,-1.5 0, 0.0 2,-0.7 -0.619 16.4-161.0 -72.3 118.9 6.4 53.7 17.8 48 1048 A R E +CF 29 57A 15 9,-3.2 9,-2.5 -2,-0.6 8,-0.4 -0.902 23.0 174.8-108.5 112.8 2.7 54.0 16.8 49 1049 A F E S- 0 0 13 -21,-1.3 7,-1.2 -2,-0.7 -20,-0.2 0.914 88.7 -11.8 -76.4 -44.9 1.6 51.7 14.0 50 1050 A N E S+ F 0 55A 100 -22,-2.5 2,-0.3 5,-0.2 -1,-0.2 -0.613 100.3 114.3-158.6 89.2 -2.0 52.8 14.6 51 1051 A A E > + F 0 54A 21 3,-2.0 3,-2.3 -3,-0.2 -3,-0.1 -0.962 69.9 4.0-162.7 142.1 -2.8 54.8 17.7 52 1052 A H T 3 S- 0 0 157 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.740 128.4 -53.9 56.3 27.3 -4.0 58.2 18.9 53 1053 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.415 112.0 121.9 90.0 -3.3 -4.4 59.4 15.3 54 1054 A D E < -F 51 0A 19 -3,-2.3 -3,-2.0 3,-0.1 2,-0.5 -0.798 44.0-164.8 -97.5 136.1 -0.9 58.4 14.3 55 1055 A A E S-F 50 0A 72 -2,-0.4 -5,-0.2 1,-0.2 -6,-0.2 -0.967 76.8 -20.3-120.9 113.3 -0.2 55.9 11.5 56 1056 A N E S+ 0 0 93 -7,-1.2 2,-0.4 -2,-0.5 -7,-0.2 0.976 98.8 144.6 50.6 64.8 3.3 54.5 11.5 57 1057 A T E -F 48 0A 26 -9,-2.5 -9,-3.2 -3,-0.2 2,-0.7 -0.997 48.9-139.7-137.0 129.4 4.7 57.4 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 25.5-168.8 -88.1 117.9 7.5 57.3 16.1 59 1059 A V E -FG 46 73A 0 -13,-2.4 -13,-2.7 -2,-0.7 2,-0.3 -0.941 4.7-175.3-111.7 128.4 6.4 59.6 18.9 60 1060 A C E +FG 45 72A 0 12,-3.1 12,-2.6 -2,-0.5 2,-0.3 -0.916 10.2 156.1-121.8 149.9 8.8 60.6 21.7 61 1061 A N E -F 44 0A 3 -17,-1.3 -17,-2.5 -2,-0.3 2,-0.3 -0.975 32.0-123.8-160.8 170.3 8.3 62.6 24.8 62 1062 A S E - 0 0 5 -2,-0.3 7,-2.6 -19,-0.2 2,-0.4 -0.743 16.4-148.1-115.2 165.2 9.6 63.3 28.2 63 1063 A K E -FH 41 68A 42 -22,-2.3 -22,-1.5 -2,-0.3 2,-0.6 -0.949 9.4-168.4-140.7 115.7 7.6 63.0 31.5 64 1064 A D E > S- H 0 67A 89 3,-2.7 3,-2.3 -2,-0.4 -24,-0.2 -0.925 75.7 -26.5-110.5 114.1 8.4 65.3 34.4 65 1065 A D T 3 S- 0 0 132 -2,-0.6 -25,-0.2 1,-0.3 -1,-0.2 0.874 130.0 -46.0 52.1 39.5 6.9 64.5 37.7 66 1066 A G T 3 S+ 0 0 34 -27,-2.8 2,-0.5 1,-0.2 -1,-0.3 0.298 113.9 119.4 89.3 -9.7 4.0 62.7 35.8 67 1067 A A E < -H 64 0A 62 -3,-2.3 -3,-2.7 -28,-0.2 -1,-0.2 -0.802 62.5-128.2 -96.9 125.2 3.5 65.5 33.3 68 1068 A W E -H 63 0A 126 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.406 24.7-147.2 -67.2 141.1 4.0 64.8 29.6 69 1069 A G - 0 0 32 -7,-2.6 2,-0.5 1,-0.1 -1,-0.1 0.033 42.9 -51.4 -90.4-156.6 6.3 67.2 27.8 70 1070 A T - 0 0 108 1,-0.1 -1,-0.1 -9,-0.0 -8,-0.1 -0.723 63.2-122.7 -84.7 122.2 6.2 68.4 24.2 71 1071 A E - 0 0 86 -2,-0.5 2,-0.4 -10,-0.1 -10,-0.2 -0.267 20.3-157.5 -65.7 148.2 5.9 65.5 21.8 72 1072 A Q E -G 60 0A 55 -12,-2.6 -12,-3.1 36,-0.0 2,-0.4 -0.982 6.9-161.0-125.5 136.8 8.5 64.9 19.0 73 1073 A R E -G 59 0A 106 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.955 8.9-137.2-123.1 142.1 7.7 62.9 15.9 74 1074 A E - 0 0 31 -16,-1.7 -16,-0.3 -2,-0.4 32,-0.0 -0.499 13.5-130.2 -95.7 165.5 10.2 61.3 13.4 75 1075 A A S S+ 0 0 90 -2,-0.2 2,-0.3 -18,-0.1 -1,-0.1 0.428 86.5 53.5 -92.5 -1.8 10.2 61.1 9.7 76 1076 A V - 0 0 41 -18,-0.1 -18,-0.4 2,-0.0 -2,-0.2 -0.892 53.9-164.6-132.2 161.9 10.7 57.4 9.4 77 1077 A F + 0 0 29 -2,-0.3 2,-1.9 -20,-0.1 -20,-0.0 -0.525 11.5 173.4-146.2 72.2 9.1 54.2 10.7 78 1078 A P + 0 0 13 0, 0.0 2,-0.4 0, 0.0 24,-0.0 -0.247 47.3 107.1 -78.6 51.3 11.5 51.2 10.3 79 1079 A F - 0 0 5 -2,-1.9 6,-0.1 22,-0.1 5,-0.1 -0.993 45.4-172.8-130.5 138.1 9.2 48.9 12.2 80 1080 A Q > - 0 0 108 -2,-0.4 3,-0.9 3,-0.1 -57,-0.3 -0.997 30.6-110.0-134.0 130.5 7.1 46.1 10.8 81 1081 A P T 3 S+ 0 0 63 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.241 102.9 24.0 -55.6 143.1 4.5 43.9 12.7 82 1082 A G T 3 S+ 0 0 52 -59,-1.6 2,-0.3 -58,-0.5 -58,-0.2 0.773 105.0 100.8 72.5 26.7 5.6 40.3 13.1 83 1083 A S S < S- 0 0 36 -3,-0.9 -60,-2.4 -60,-0.4 -1,-0.2 -0.985 75.3-105.1-142.6 153.0 9.3 41.1 12.9 84 1084 A V E -P 22 0B 87 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.516 37.6-174.1 -76.1 142.9 12.3 41.5 15.2 85 1085 A A E -P 21 0B 4 -64,-2.7 -64,-2.3 -2,-0.2 2,-0.4 -1.000 10.6-157.1-141.3 138.5 13.5 45.1 15.7 86 1086 A E E -P 20 0B 46 -2,-0.4 2,-0.4 -66,-0.2 -66,-0.2 -0.949 6.5-170.1-119.4 137.2 16.5 46.4 17.6 87 1087 A V E -P 19 0B 0 -68,-2.8 -68,-3.1 -2,-0.4 2,-0.5 -0.974 6.8-157.4-125.6 139.5 16.8 49.9 19.0 88 1088 A C E -PR 18 99B 15 11,-2.2 11,-3.0 -2,-0.4 2,-0.5 -0.978 9.4-170.9-120.2 121.9 20.0 51.5 20.4 89 1089 A I E -PR 17 98B 3 -72,-3.1 -72,-3.3 -2,-0.5 2,-0.5 -0.952 3.7-164.4-118.3 123.0 19.8 54.4 22.8 90 1090 A T E -PR 16 97B 36 7,-3.0 7,-2.6 -2,-0.5 2,-0.4 -0.894 12.9-142.1-107.5 133.6 22.8 56.4 24.0 91 1091 A F E + R 0 96B 0 -76,-2.4 -77,-4.6 -2,-0.5 -76,-0.4 -0.810 26.9 162.9 -98.9 131.7 22.5 58.6 27.0 92 1092 A D - 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