==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 12-FEB-10 3LSD . COMPND 2 MOLECULE: GALECTIN-9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.M.RUIZ,A.ROMERO . 143 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 74.8 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 . 66 46.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 . 1 0.7 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 . 23 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 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 . 1 2 1 2 2 3 1 0 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 . 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 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 6 A S 0 0 155 0, 0.0 142,-0.0 0, 0.0 141,-0.0 0.000 360.0 360.0 360.0 119.6 16.7 -8.9 -7.1 2 7 A Q - 0 0 34 1,-0.1 140,-0.5 139,-0.0 14,-0.0 -0.191 360.0-126.3 -65.3 135.7 13.3 -8.3 -5.5 3 8 A A - 0 0 70 1,-0.1 -1,-0.1 138,-0.1 2,-0.1 -0.476 33.0-105.8 -71.4 144.5 12.4 -10.1 -2.2 4 9 A P - 0 0 65 0, 0.0 2,-0.6 0, 0.0 137,-0.2 -0.365 21.2-118.6 -70.9 153.6 9.1 -12.1 -2.2 5 10 A Y E -A 140 0A 63 135,-2.3 135,-1.9 -2,-0.1 2,-0.4 -0.896 34.0-150.0 -85.4 118.0 6.0 -11.0 -0.4 6 11 A L E -A 139 0A 132 -2,-0.6 133,-0.2 1,-0.2 132,-0.1 -0.821 67.6 -15.7 -99.8 131.5 5.4 -13.8 2.2 7 12 A S S S- 0 0 97 131,-3.5 -1,-0.2 -2,-0.4 132,-0.2 0.820 82.1-165.9 40.0 51.8 1.8 -14.6 3.2 8 13 A P - 0 0 14 0, 0.0 129,-0.5 0, 0.0 2,-0.2 -0.399 20.2-117.4 -62.0 137.6 0.3 -11.3 1.7 9 14 A A - 0 0 82 2,-0.1 127,-0.1 127,-0.1 129,-0.0 -0.512 40.8 -93.4 -75.4 145.5 -3.3 -10.5 2.8 10 15 A V S S+ 0 0 41 -2,-0.2 122,-0.1 125,-0.1 2,-0.1 -0.877 110.6 50.1-106.5 103.7 -5.9 -10.4 0.1 11 16 A P S S+ 0 0 108 0, 0.0 2,-0.4 0, 0.0 121,-0.2 0.269 89.9 179.8-117.0 136.9 -6.9 -7.9 -1.4 12 17 A F E -F 131 0B 26 119,-2.4 119,-2.4 -2,-0.1 2,-0.4 -0.928 23.1-175.1-121.5 142.7 -3.2 -7.1 -2.1 13 18 A S E +F 130 0B 56 -2,-0.4 2,-0.3 117,-0.2 117,-0.2 -0.992 16.8 168.5-135.7 122.4 -1.3 -4.3 -3.9 14 19 A G E -F 129 0B 5 115,-2.9 115,-3.3 -2,-0.4 -2,-0.0 -0.997 33.5-113.2-142.7 140.4 2.5 -4.3 -4.4 15 20 A T E -F 128 0B 65 -2,-0.3 2,-0.7 113,-0.2 113,-0.3 -0.350 19.3-140.6 -61.9 141.3 5.2 -2.5 -6.3 16 21 A I > - 0 0 3 111,-3.2 3,-1.0 1,-0.2 -1,-0.1 -0.954 19.6-145.9 -99.6 110.6 7.0 -4.4 -9.0 17 22 A Q T 3 S+ 0 0 144 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.863 90.5 28.2 -51.4 -46.3 10.6 -3.0 -8.5 18 23 A G T 3 S- 0 0 58 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.701 107.3-123.5 -81.5 -11.2 11.9 -3.0 -12.1 19 24 A G < - 0 0 9 -3,-1.0 108,-0.2 108,-0.1 -1,-0.2 -0.212 60.4 -41.4 72.3 173.5 8.5 -2.5 -13.6 20 25 A L - 0 0 1 106,-1.9 2,-0.3 103,-0.5 106,-0.1 -0.358 68.9-173.4 -64.6 147.2 7.9 -5.3 -16.1 21 26 A Q > - 0 0 109 102,-0.0 3,-2.8 -2,-0.0 79,-0.3 -0.997 38.4 -92.4-141.5 142.9 10.8 -6.3 -18.3 22 27 A D T 3 S+ 0 0 94 -2,-0.3 79,-0.2 1,-0.3 80,-0.0 -0.339 119.2 24.0 -49.9 117.8 11.1 -8.6 -21.2 23 28 A G T 3 S+ 0 0 43 77,-3.0 -1,-0.3 1,-0.4 78,-0.1 0.138 89.2 137.4 109.9 -18.1 12.1 -11.9 -19.5 24 29 A L < - 0 0 29 -3,-2.8 76,-2.8 75,-0.1 2,-0.5 -0.364 38.9-154.3 -64.7 133.1 10.7 -11.2 -16.0 25 30 A Q E -B 99 0A 62 118,-2.3 118,-1.4 74,-0.2 2,-0.6 -0.956 7.7-169.5-110.6 126.0 8.9 -13.9 -14.1 26 31 A I E -BC 98 142A 0 72,-3.2 72,-2.6 -2,-0.5 2,-0.5 -0.932 8.2-160.3-113.5 112.6 6.3 -13.2 -11.5 27 32 A T E -BC 97 141A 22 114,-2.3 114,-2.6 -2,-0.6 2,-0.5 -0.842 6.4-171.2 -98.3 124.8 5.1 -16.2 -9.4 28 33 A V E -BC 96 140A 2 68,-3.2 68,-3.5 -2,-0.5 2,-0.6 -0.968 4.1-171.4-113.1 115.2 1.7 -16.1 -7.5 29 34 A N E +BC 95 139A 25 110,-2.4 109,-2.8 -2,-0.5 110,-1.8 -0.974 28.6 130.8-114.5 116.7 1.2 -19.0 -5.1 30 35 A G E -BC 94 137A 0 64,-1.3 64,-2.7 -2,-0.6 2,-0.3 -0.888 44.9-127.1-154.6-179.1 -2.3 -19.1 -3.7 31 36 A T E - C 0 136A 29 105,-1.9 105,-2.7 -2,-0.3 2,-0.4 -0.991 22.5-124.7-143.9 127.1 -5.4 -21.3 -3.0 32 37 A V E - C 0 135A 1 60,-0.4 59,-2.4 57,-0.4 2,-0.4 -0.620 31.7-126.0 -73.2 127.6 -9.0 -20.7 -3.9 33 38 A L > - 0 0 56 101,-0.6 3,-0.9 -2,-0.4 2,-0.1 -0.621 17.5-124.5 -71.8 126.6 -11.2 -20.9 -0.8 34 39 A S T 3 S+ 0 0 71 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 -0.452 91.5 5.4 -69.0 143.9 -14.2 -23.2 -0.9 35 40 A S T 3 S+ 0 0 123 -2,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.838 101.9 104.2 45.2 41.3 -17.6 -21.6 -0.1 36 41 A S S < S- 0 0 70 -3,-0.9 2,-0.1 1,-0.6 -3,-0.1 -0.058 93.0 -64.8-131.1 34.7 -16.1 -18.1 -0.1 37 42 A G - 0 0 40 1,-0.1 -1,-0.6 96,-0.1 -2,-0.1 -0.389 46.7 -95.5 104.6 176.5 -17.3 -16.8 -3.5 38 43 A T S S+ 0 0 61 -2,-0.1 23,-3.6 -3,-0.1 2,-0.3 0.357 85.9 45.0-124.3 0.3 -16.8 -17.7 -7.1 39 44 A R B +G 60 0B 100 21,-0.2 95,-2.7 22,-0.1 2,-0.3 -0.998 44.6 178.9-143.8 157.2 -14.1 -15.4 -8.7 40 45 A F E -H 133 0B 2 19,-1.5 2,-0.3 -2,-0.3 93,-0.2 -0.939 14.2-151.7-143.1 164.8 -10.6 -14.0 -8.0 41 46 A A E -H 132 0B 0 91,-1.9 91,-2.3 -2,-0.3 2,-0.4 -1.000 13.2-158.4-142.9 143.7 -8.3 -11.7 -10.0 42 47 A V E -HI 131 57B 0 15,-2.4 15,-2.6 -2,-0.3 2,-0.4 -0.991 25.7-165.6-116.4 123.9 -4.6 -10.9 -10.5 43 48 A N E -HI 130 56B 7 87,-3.2 87,-2.5 -2,-0.4 2,-0.6 -0.927 19.4-160.3-120.5 130.4 -4.0 -7.4 -12.0 44 49 A F E +HI 129 55B 0 11,-2.3 11,-1.6 -2,-0.4 10,-1.3 -0.959 39.0 155.0-105.3 117.4 -0.9 -5.8 -13.6 45 50 A Q E -HI 128 53B 6 83,-2.0 83,-1.3 -2,-0.6 82,-1.3 -0.785 51.2-104.7-140.9 171.0 -1.5 -2.2 -13.5 46 51 A T S S- 0 0 67 6,-1.8 3,-0.3 -2,-0.2 4,-0.3 -0.960 88.2 -26.6-102.3 110.0 0.1 1.3 -13.4 47 52 A G S S- 0 0 23 -2,-0.6 -2,-0.1 1,-0.2 80,-0.1 -0.265 88.8 -69.7 77.9-164.9 -0.2 2.6 -9.8 48 53 A F S S+ 0 0 114 1,-0.1 -1,-0.2 -35,-0.1 81,-0.0 0.397 100.8 91.1-112.3 -5.0 -2.8 1.7 -7.1 49 54 A S S S- 0 0 94 -3,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.916 80.4-134.4 -62.4 -47.9 -6.1 3.2 -8.3 50 55 A G S S+ 0 0 17 -4,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.463 77.3 104.6 104.4 7.4 -7.4 0.2 -10.3 51 56 A N S S+ 0 0 76 1,-0.2 24,-2.4 -5,-0.2 2,-0.3 0.542 76.0 46.8 -94.6 -11.7 -8.4 2.2 -13.3 52 57 A D + 0 0 62 -6,-0.2 -6,-1.8 21,-0.2 2,-0.8 -0.712 65.9 166.5-138.8 81.3 -5.6 1.3 -15.7 53 58 A I E -I 45 0B 5 19,-0.4 19,-3.2 -2,-0.3 -8,-0.3 -0.904 18.5-168.5-103.3 105.7 -5.1 -2.4 -15.6 54 59 A A E S+ 0 0 8 -10,-1.3 66,-0.3 -2,-0.8 2,-0.3 0.820 82.2 17.0 -57.0 -40.8 -2.9 -3.6 -18.5 55 60 A F E -I 44 0B 0 -11,-1.6 -11,-2.3 -3,-0.1 2,-0.6 -0.904 64.9-173.3-145.6 116.5 -3.7 -7.2 -17.8 56 61 A H E -IJ 43 70B 23 14,-2.7 14,-1.5 -2,-0.3 2,-0.6 -0.953 7.0-166.4-109.1 115.4 -6.7 -8.5 -15.7 57 62 A F E +IJ 42 69B 0 -15,-2.6 -15,-2.4 -2,-0.6 12,-0.2 -0.961 13.5 179.2-105.7 117.6 -6.5 -12.3 -15.2 58 63 A N E - J 0 68B 11 10,-2.6 10,-2.1 -2,-0.6 -17,-0.2 -0.778 13.0-167.1-132.1 85.0 -10.0 -13.4 -13.8 59 64 A P E - J 0 67B 0 0, 0.0 -19,-1.5 0, 0.0 2,-0.4 -0.492 11.1-164.3 -73.3 136.2 -10.8 -17.1 -13.0 60 65 A R E -GJ 39 66B 26 6,-3.2 6,-2.3 -21,-0.2 2,-1.5 -0.983 19.8-155.6-130.0 120.2 -14.6 -17.7 -12.4 61 66 A F + 0 0 40 -23,-3.6 2,-0.3 -2,-0.4 -22,-0.1 -0.489 64.4 107.1 -87.5 60.4 -16.0 -20.8 -10.8 62 67 A E S > S+ 0 0 44 -2,-1.5 3,-2.4 4,-0.1 -2,-0.1 -0.946 71.8 8.9-138.9 147.9 -19.3 -20.3 -12.6 63 68 A D T 3 S- 0 0 138 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.751 138.9 -36.8 56.6 29.5 -21.2 -22.0 -15.4 64 69 A G T 3 S- 0 0 84 2,-0.1 -1,-0.3 -3,-0.0 22,-0.2 0.133 109.9 -68.4 109.1 -24.2 -18.7 -24.8 -15.7 65 70 A G < + 0 0 8 -3,-2.4 2,-0.3 20,-0.1 -4,-0.2 0.330 65.7 164.1 109.3 123.1 -15.5 -22.9 -14.9 66 71 A Y E -J 60 0B 16 -6,-2.3 -6,-3.2 18,-0.2 2,-0.4 -0.969 26.2-133.5-157.7 168.3 -13.9 -20.3 -17.2 67 72 A V E -JK 59 83B 2 16,-2.1 16,-2.6 -2,-0.3 2,-0.4 -0.997 12.0-157.5-133.9 136.2 -11.3 -17.5 -17.1 68 73 A V E -JK 58 82B 0 -10,-2.1 -10,-2.6 -2,-0.4 2,-0.4 -0.922 4.1-168.2-113.6 138.5 -11.6 -14.0 -18.5 69 74 A C E +JK 57 81B 3 12,-1.9 12,-2.6 -2,-0.4 2,-0.3 -0.944 22.1 151.4-123.4 139.9 -8.6 -11.8 -19.5 70 75 A N E -J 56 0B 5 -14,-1.5 -14,-2.7 -2,-0.4 2,-0.4 -0.932 35.9-126.5-159.0 171.7 -9.2 -8.1 -20.2 71 76 A T - 0 0 2 -2,-0.3 7,-2.1 -16,-0.2 2,-0.5 -0.988 14.9-152.8-128.9 140.0 -7.5 -4.7 -20.1 72 77 A R E -L 77 0C 63 -19,-3.2 2,-0.4 -2,-0.4 -19,-0.4 -0.958 13.7-179.0-115.6 133.2 -8.9 -1.6 -18.5 73 78 A Q E > S-L 76 0C 101 3,-2.8 3,-1.3 -2,-0.5 -21,-0.2 -0.980 73.2 -14.7-139.7 124.4 -7.9 1.9 -19.8 74 79 A N T 3 S- 0 0 145 -2,-0.4 -22,-0.2 1,-0.2 -1,-0.1 0.804 128.8 -55.9 45.8 40.6 -9.2 5.1 -18.2 75 80 A G T 3 S+ 0 0 30 -24,-2.4 2,-0.4 1,-0.2 -1,-0.2 0.711 114.3 115.7 67.0 22.4 -11.8 2.9 -16.4 76 81 A S E < -L 73 0C 85 -3,-1.3 -3,-2.8 -25,-0.3 2,-0.2 -0.995 59.3-138.5-115.1 129.4 -13.2 1.4 -19.6 77 82 A W E -L 72 0C 114 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.591 15.1-146.7 -80.8 141.6 -12.9 -2.4 -20.1 78 83 A G - 0 0 32 -7,-2.1 2,-0.2 -2,-0.2 -1,-0.1 -0.143 47.7 -46.8 -91.8-160.6 -12.0 -3.6 -23.6 79 84 A P - 0 0 101 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.496 63.7-120.7 -71.3 132.4 -13.2 -6.9 -25.3 80 85 A E - 0 0 113 -2,-0.2 2,-0.6 -10,-0.1 -10,-0.2 -0.476 11.6-147.9 -72.2 147.1 -12.9 -9.9 -23.0 81 86 A E E -K 69 0B 78 -12,-2.6 -12,-1.9 -2,-0.1 2,-0.3 -0.966 26.0-165.5-113.6 102.3 -10.7 -12.9 -24.0 82 87 A R E -K 68 0B 128 -2,-0.6 2,-0.4 -14,-0.2 -14,-0.2 -0.723 14.4-165.4 -90.9 144.3 -12.5 -15.9 -22.5 83 88 A K E -K 67 0B 93 -16,-2.6 2,-2.1 -2,-0.3 -16,-2.1 -0.973 16.4-144.4-124.9 120.1 -11.1 -19.4 -22.0 84 89 A T S S+ 0 0 108 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.354 70.2 90.2 -79.9 62.5 -13.5 -22.2 -21.2 85 90 A H - 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0 0 56 3,-2.3 22,-0.1 -2,-0.4 -77,-0.0 -0.717 46.7 -95.4-127.1-179.2 7.8 -11.2 -23.3 102 107 A S S S+ 0 0 80 -2,-0.2 21,-0.2 1,-0.2 3,-0.1 0.889 119.8 20.5 -69.1 -38.6 8.0 -8.6 -26.0 103 108 A S S S+ 0 0 64 1,-0.1 16,-1.6 15,-0.1 2,-0.3 0.597 128.7 0.9-107.5 -16.6 4.6 -9.2 -27.5 104 109 A D E - E 0 118A 3 14,-0.3 -3,-2.3 -5,-0.0 2,-0.4 -0.929 64.2-102.0-157.6 168.4 2.6 -10.9 -24.7 105 110 A F E -DE 100 117A 3 12,-2.2 12,-2.8 -2,-0.3 2,-0.5 -0.945 30.8-146.1 -96.2 138.2 2.4 -12.4 -21.2 106 111 A K E -DE 99 116A 64 -7,-2.6 -7,-2.6 -2,-0.4 2,-0.6 -0.940 13.0-155.6 -97.1 126.0 2.7 -16.2 -20.9 107 112 A V E -DE 98 115A 0 8,-2.9 7,-4.4 -2,-0.5 8,-1.4 -0.912 10.8-171.8-108.2 113.9 0.6 -17.5 -18.1 108 113 A M E -DE 97 113A 29 -11,-2.6 -11,-2.3 -2,-0.6 2,-0.5 -0.828 13.5-159.0-100.9 139.9 1.6 -20.9 -16.6 109 114 A V E > S-DE 96 112A 11 3,-2.7 3,-2.3 -2,-0.4 -13,-0.2 -0.981 86.4 -19.7-115.7 118.0 -0.4 -22.9 -14.1 110 115 A N T 3 S- 0 0 96 -15,-2.8 -1,-0.1 -2,-0.5 -14,-0.1 0.856 130.2 -52.0 48.2 40.3 2.0 -25.3 -12.2 111 116 A G T 3 S+ 0 0 61 -16,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.194 115.6 113.4 88.7 -14.7 4.5 -24.9 -15.1 112 117 A I E < S-E 109 0A 127 -3,-2.3 -3,-2.7 1,-0.1 -1,-0.2 -0.756 76.0-109.8 -95.5 129.4 2.0 -25.7 -17.9 113 118 A L E +E 108 0A 85 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.393 41.8 169.9 -57.3 127.4 1.2 -22.9 -20.3 114 119 A F E - 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