==== 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 3LSE . 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) . 6992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 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 . 20 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.2 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 2 3 1 2 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 0 2 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 0 131 0, 0.0 2,-0.4 0, 0.0 142,-0.1 0.000 360.0 360.0 360.0 26.3 -21.2 -20.9 -8.1 2 7 A Q - 0 0 25 140,-0.3 140,-0.8 1,-0.0 14,-0.0 -0.919 360.0-106.9-113.4 129.8 -17.9 -22.1 -6.4 3 8 A A - 0 0 84 -2,-0.4 138,-0.0 138,-0.1 -1,-0.0 -0.308 47.2-113.4 -58.4 127.4 -16.8 -21.2 -2.9 4 9 A P - 0 0 61 0, 0.0 2,-0.7 0, 0.0 137,-0.2 -0.020 15.2-109.5 -72.1 161.2 -13.9 -18.7 -3.1 5 10 A Y E -A 140 0A 62 135,-2.7 135,-1.6 3,-0.0 2,-0.7 -0.819 35.7-153.2 -89.1 111.3 -10.2 -18.9 -2.2 6 11 A L E -A 139 0A 126 -2,-0.7 133,-0.2 1,-0.2 132,-0.1 -0.813 66.4 -20.5 -97.6 118.6 -9.8 -16.7 0.9 7 12 A S S S- 0 0 94 131,-3.1 2,-0.3 -2,-0.7 -1,-0.2 0.928 79.9-166.3 56.5 56.0 -6.3 -15.3 1.4 8 13 A P - 0 0 15 0, 0.0 129,-0.5 0, 0.0 -1,-0.2 -0.547 24.6-110.3 -77.1 134.0 -4.4 -17.7 -0.7 9 14 A A - 0 0 82 -2,-0.3 127,-0.1 1,-0.1 -2,-0.0 -0.303 41.9-106.6 -62.8 148.1 -0.6 -17.7 -0.3 10 15 A V S S+ 0 0 21 125,-0.1 2,-0.5 2,-0.1 125,-0.3 -0.195 106.0 64.2-115.6 41.7 1.1 -16.4 -3.3 11 16 A P S S+ 0 0 119 0, 0.0 2,-0.4 0, 0.0 121,-0.2 -0.909 88.0 173.1 -98.1 129.5 2.7 -18.5 -5.4 12 17 A F E +G 131 0B 30 119,-3.2 119,-3.0 -2,-0.5 2,-0.3 -0.995 31.9 173.4-137.8 142.9 -0.8 -20.0 -5.9 13 18 A S E +G 130 0B 59 -2,-0.4 2,-0.3 117,-0.3 117,-0.3 -0.888 22.6 163.8-145.0 102.5 -2.3 -22.7 -8.2 14 19 A G E -G 129 0B 6 115,-3.0 115,-2.6 -2,-0.3 2,-0.2 -0.889 33.2 -96.7-132.0 163.8 -6.0 -23.5 -7.6 15 20 A T E -G 128 0B 51 -2,-0.3 2,-1.1 113,-0.2 113,-0.3 -0.499 4.7-149.9 -90.5 135.9 -8.9 -25.3 -9.3 16 21 A I > - 0 0 5 111,-3.2 3,-3.0 -2,-0.2 -1,-0.1 -0.821 34.2-140.8 -91.7 94.7 -11.8 -23.9 -11.3 17 22 A Q T 3 S+ 0 0 153 -2,-1.1 -1,-0.1 1,-0.3 3,-0.1 0.498 89.4 18.3 -52.1 -12.2 -13.9 -26.8 -10.2 18 23 A G T 3 S- 0 0 65 1,-0.2 -1,-0.3 108,-0.1 109,-0.1 0.355 113.1-105.6-129.9 4.3 -15.6 -27.4 -13.6 19 24 A G < - 0 0 10 -3,-3.0 2,-0.5 108,-0.2 108,-0.2 -0.053 59.1 -46.4 83.6 163.7 -13.3 -25.5 -16.0 20 25 A L - 0 0 0 106,-1.8 2,-0.4 103,-0.6 106,-0.2 -0.562 63.8-177.3 -60.3 112.1 -14.1 -22.1 -17.6 21 26 A Q > - 0 0 115 -2,-0.5 3,-1.8 1,-0.0 79,-0.2 -0.908 38.8 -85.3-113.2 149.3 -17.6 -22.3 -18.9 22 27 A D T 3 S+ 0 0 83 -2,-0.4 79,-0.2 1,-0.2 3,-0.1 -0.191 113.1 29.5 -57.9 140.1 -19.1 -19.3 -20.8 23 28 A G T 3 S+ 0 0 44 77,-2.1 -1,-0.2 1,-0.3 78,-0.1 -0.002 85.2 140.4 103.8 -25.1 -20.6 -16.5 -18.7 24 29 A L < - 0 0 32 -3,-1.8 76,-2.6 75,-0.1 2,-0.4 -0.209 36.4-158.7 -57.0 135.7 -18.3 -17.2 -15.7 25 30 A Q E -B 99 0A 60 74,-0.2 118,-3.4 -3,-0.1 2,-0.5 -0.977 6.4-168.9-121.4 126.1 -16.9 -14.2 -13.9 26 31 A I E -BC 98 142A 0 72,-2.8 72,-2.6 -2,-0.4 2,-0.3 -0.932 3.8-160.6-122.6 113.6 -13.7 -14.5 -11.8 27 32 A T E -BC 97 141A 16 114,-1.3 114,-2.1 -2,-0.5 2,-0.5 -0.734 4.8-170.9 -94.9 139.2 -12.5 -11.8 -9.3 28 33 A V E -BC 96 140A 1 68,-3.0 68,-2.5 -2,-0.3 2,-0.5 -0.996 8.1-173.6-123.0 115.6 -8.9 -11.7 -8.1 29 34 A N E +BC 95 139A 23 110,-2.9 110,-2.1 -2,-0.5 109,-1.7 -0.967 27.2 126.7-115.3 127.6 -8.5 -9.1 -5.3 30 35 A G E -BC 94 137A 0 64,-1.3 64,-1.6 -2,-0.5 2,-0.3 -0.856 48.5-116.2-162.3-168.9 -4.9 -8.5 -4.2 31 36 A T E -BC 93 136A 30 105,-1.8 105,-1.8 62,-0.3 2,-0.2 -0.969 26.1-117.8-155.7 127.8 -2.3 -5.9 -3.7 32 37 A V E -dC 90 135A 3 60,-0.7 59,-2.4 57,-0.6 103,-0.3 -0.501 33.2-125.8 -77.2 136.8 1.0 -5.3 -5.4 33 38 A L - 0 0 65 101,-2.1 -1,-0.1 -2,-0.2 101,-0.1 -0.297 6.8-140.4 -78.4 155.0 4.1 -5.5 -3.3 34 39 A S + 0 0 113 56,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.210 66.4 122.0 -96.1 14.3 6.9 -3.0 -2.8 35 40 A S S S- 0 0 56 1,-0.1 99,-0.1 99,-0.1 -3,-0.0 -0.064 87.6 -92.6 -58.1 168.7 9.4 -5.9 -2.8 36 41 A S S S+ 0 0 123 2,-0.0 -1,-0.1 0, 0.0 98,-0.1 0.695 98.9 107.4 -55.5 -20.1 12.3 -6.0 -5.4 37 42 A G - 0 0 26 1,-0.1 3,-0.0 96,-0.1 96,-0.0 -0.396 49.4-174.5 -63.7 137.0 9.9 -8.1 -7.5 38 43 A T + 0 0 59 -2,-0.0 23,-3.1 1,-0.0 2,-0.3 0.164 58.3 49.6-123.7 18.8 8.7 -6.0 -10.4 39 44 A R B +H 60 0B 103 21,-0.2 95,-2.4 22,-0.1 2,-0.3 -0.990 48.8 179.6-147.2 151.2 6.1 -8.4 -12.0 40 45 A F E -I 133 0B 1 19,-1.6 2,-0.4 -2,-0.3 93,-0.2 -0.966 13.4-156.3-140.1 163.8 3.2 -10.6 -11.2 41 46 A A E -I 132 0B 2 91,-1.7 91,-1.7 -2,-0.3 2,-0.5 -0.995 13.4-155.7-141.8 137.8 1.0 -12.8 -13.4 42 47 A V E -IJ 131 57B 0 15,-2.2 15,-1.7 -2,-0.4 2,-0.4 -0.967 26.9-166.5-104.0 118.1 -2.5 -14.2 -13.3 43 48 A N E -IJ 130 56B 8 87,-2.9 87,-2.3 -2,-0.5 2,-0.6 -0.896 19.6-160.7-115.4 130.9 -2.6 -17.4 -15.5 44 49 A F E +IJ 129 55B 0 11,-2.7 11,-1.8 -2,-0.4 10,-1.5 -0.970 40.6 154.5-106.6 116.1 -5.7 -19.3 -16.8 45 50 A Q E -IJ 128 53B 5 83,-2.8 83,-1.8 -2,-0.6 82,-1.3 -0.758 53.1 -96.3-141.1 175.9 -4.3 -22.7 -17.8 46 51 A T S S- 0 0 46 6,-2.1 3,-0.5 80,-0.2 4,-0.4 -0.879 89.0 -38.1-102.0 101.0 -4.7 -26.4 -18.4 47 52 A G S S- 0 0 15 -2,-0.8 -2,-0.2 1,-0.2 81,-0.1 -0.408 88.1 -62.9 86.5-157.2 -3.6 -28.1 -15.2 48 53 A F S S+ 0 0 124 -2,-0.1 -1,-0.2 1,-0.1 81,-0.0 0.270 108.7 94.1-118.1 1.9 -0.7 -27.2 -12.9 49 54 A S - 0 0 82 -3,-0.5 -2,-0.1 3,-0.1 -1,-0.1 0.946 69.6-156.1 -53.0 -55.0 1.9 -27.7 -15.6 50 55 A G + 0 0 14 -4,-0.4 3,-0.2 2,-0.2 -1,-0.1 0.618 65.9 110.7 74.3 10.2 1.9 -24.1 -16.7 51 56 A N S S+ 0 0 75 -5,-0.3 24,-3.5 1,-0.2 25,-0.4 0.580 81.7 36.8 -86.4 -13.1 3.2 -25.3 -20.0 52 57 A D + 0 0 56 -6,-0.3 -6,-2.1 22,-0.2 2,-0.5 -0.682 68.4 172.0-146.0 96.8 -0.1 -24.3 -21.5 53 58 A I E -J 45 0B 6 -3,-0.2 19,-3.3 -8,-0.2 -8,-0.3 -0.877 21.4-157.6-108.6 117.5 -1.8 -21.2 -20.3 54 59 A A E S+ 0 0 6 -10,-1.5 66,-0.4 -2,-0.5 2,-0.3 0.832 86.9 12.6 -67.0 -33.1 -4.8 -20.2 -22.3 55 60 A F E -J 44 0B 0 -11,-1.8 -11,-2.7 16,-0.1 2,-0.5 -0.920 66.0-173.5-154.0 110.5 -4.4 -16.6 -21.1 56 61 A H E -JK 43 70B 19 14,-2.5 14,-2.0 -2,-0.3 2,-0.5 -0.973 6.0-169.6-111.8 123.6 -1.4 -15.2 -19.2 57 62 A F E +JK 42 69B 0 -15,-1.7 -15,-2.2 -2,-0.5 12,-0.2 -0.985 10.8 179.6-119.3 108.6 -2.0 -11.7 -18.0 58 63 A N E - K 0 68B 9 10,-2.9 10,-1.6 -2,-0.5 -17,-0.2 -0.745 12.9-163.4-126.6 85.8 1.3 -10.3 -16.8 59 64 A P E - K 0 67B 0 0, 0.0 -19,-1.6 0, 0.0 2,-0.4 -0.429 13.4-165.9 -64.2 138.7 1.6 -6.7 -15.4 60 65 A R E -HK 39 66B 25 6,-2.2 6,-2.0 -21,-0.2 2,-0.8 -0.994 22.2-155.0-133.6 134.2 5.2 -5.4 -15.2 61 66 A F + 0 0 43 -23,-3.1 2,-0.3 -2,-0.4 -22,-0.1 -0.638 68.0 91.3-105.5 65.5 6.6 -2.4 -13.4 62 67 A E S > S+ 0 0 51 -2,-0.8 3,-2.5 4,-0.2 -2,-0.1 -0.947 73.3 30.5-152.2 163.7 9.5 -1.9 -15.7 63 68 A D T 3 S- 0 0 152 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.640 140.5 -51.6 56.2 19.1 10.1 0.2 -18.8 64 69 A G T 3 S- 0 0 85 2,-0.1 -1,-0.3 22,-0.0 -3,-0.1 0.334 105.4 -63.9 99.7 -5.8 7.5 2.6 -17.3 65 70 A G < + 0 0 11 -3,-2.5 2,-0.3 1,-0.1 -4,-0.2 0.484 65.2 162.2 94.6 123.5 4.8 0.0 -16.7 66 71 A Y E -K 60 0B 22 -6,-2.0 -6,-2.2 -8,-0.1 2,-0.4 -0.944 30.6-128.3-166.2 150.3 3.0 -2.1 -19.2 67 72 A V E -KL 59 83B 1 16,-2.0 16,-1.9 18,-0.5 2,-0.5 -0.916 18.4-154.2-108.3 136.3 0.9 -5.3 -19.0 68 73 A V E -KL 58 82B 1 -10,-1.6 -10,-2.9 -2,-0.4 2,-0.4 -0.957 6.6-167.9-111.2 126.0 1.6 -8.2 -21.4 69 74 A C E +KL 57 81B 3 12,-3.2 12,-2.5 -2,-0.5 2,-0.3 -0.894 22.4 147.3-107.3 147.5 -1.1 -10.7 -22.4 70 75 A N E -K 56 0B 5 -14,-2.0 -14,-2.5 -2,-0.4 2,-0.4 -0.914 37.3-122.9-164.3-179.8 -0.1 -14.0 -24.1 71 76 A T - 0 0 0 -2,-0.3 7,-2.1 -16,-0.2 2,-0.5 -0.995 16.2-149.5-145.3 128.2 -1.0 -17.7 -24.5 72 77 A R E +M 77 0C 61 -19,-3.3 2,-0.4 -2,-0.4 5,-0.2 -0.883 15.0 176.8-108.6 130.0 1.1 -20.7 -23.9 73 78 A Q E > S-M 76 0C 88 3,-1.4 3,-1.6 -2,-0.5 -21,-0.2 -1.000 74.0 -16.3-127.6 130.4 0.8 -23.9 -25.8 74 79 A N T 3 S- 0 0 126 -2,-0.4 -22,-0.2 1,-0.3 -1,-0.1 0.865 127.0 -54.3 37.5 53.7 3.2 -26.9 -25.1 75 80 A G T 3 S+ 0 0 27 -24,-3.5 2,-0.4 1,-0.1 -1,-0.3 0.659 113.4 112.7 65.7 26.3 5.7 -24.6 -23.4 76 81 A S E < -M 73 0C 56 -3,-1.6 -3,-1.4 -25,-0.4 2,-0.4 -0.972 62.6-129.0-141.0 117.5 6.0 -22.1 -26.2 77 82 A W E -M 72 0C 113 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.483 15.7-149.4 -74.2 119.4 4.8 -18.5 -26.1 78 83 A G - 0 0 24 -7,-2.1 2,-0.3 -2,-0.4 -1,-0.1 0.040 52.0 -55.4 -61.1-174.5 2.6 -17.1 -28.9 79 84 A P - 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -8,-0.0 -0.530 62.3-124.1 -75.0 133.1 2.8 -13.4 -29.9 80 85 A E - 0 0 78 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.2 -0.187 11.6-149.4 -64.4 160.8 2.2 -11.0 -26.9 81 86 A E E -L 69 0B 65 -12,-2.5 -12,-3.2 2,-0.0 2,-0.4 -0.965 20.9-162.9-120.0 142.3 -0.4 -8.3 -26.8 82 87 A R E -L 68 0B 131 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.977 18.3-166.8-125.3 138.6 0.7 -5.3 -24.7 83 88 A K E -L 67 0B 90 -16,-1.9 -16,-2.0 -2,-0.4 32,-0.0 -0.930 9.5-159.4-104.6 148.3 -1.2 -2.4 -23.1 84 89 A T + 0 0 120 -2,-0.4 -1,-0.1 -18,-0.2 -16,-0.0 0.561 69.8 98.7-101.0 -16.1 1.0 0.4 -21.9 85 90 A H - 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0 0 63 3,-2.2 18,-0.1 -2,-0.5 -77,-0.1 -0.644 45.1-102.6-121.9 178.8 -17.2 -14.8 -23.2 102 107 A S S S+ 0 0 93 -2,-0.2 21,-0.1 1,-0.1 -1,-0.1 0.956 119.0 18.3 -64.0 -50.5 -17.7 -16.8 -26.4 103 108 A S S S+ 0 0 74 15,-0.1 16,-0.9 1,-0.1 2,-0.2 0.713 129.4 3.9 -98.3 -22.3 -15.1 -14.9 -28.4 104 109 A D E - F 0 118A 8 14,-0.3 -3,-2.2 16,-0.0 2,-0.4 -0.865 62.1-104.6-151.3 170.2 -12.9 -13.3 -25.7 105 110 A F E -EF 100 117A 2 12,-3.4 12,-3.5 -2,-0.2 2,-0.7 -0.955 29.5-153.2 -96.7 130.3 -11.9 -12.6 -22.1 106 111 A K E -EF 99 116A 73 -7,-2.2 -7,-2.3 -2,-0.4 2,-0.9 -0.942 8.3-158.4-101.3 114.7 -12.9 -9.2 -20.9 107 112 A V E -EF 98 115A 0 8,-3.1 7,-2.1 -2,-0.7 8,-1.1 -0.803 7.9-167.7 -94.3 99.2 -10.5 -8.1 -18.2 108 113 A M E -EF 97 113A 50 -11,-2.4 -11,-2.9 -2,-0.9 2,-0.7 -0.705 7.1-161.3 -84.7 125.4 -12.1 -5.3 -15.9 109 114 A V E S-E 96 0A 9 3,-2.3 -13,-0.2 -2,-0.4 -2,-0.0 -0.907 84.0 -18.1-108.8 107.7 -9.8 -3.4 -13.5 110 115 A N S S- 0 0 86 -15,-3.0 -1,-0.2 -2,-0.7 -14,-0.1 0.909 128.2 -55.8 60.7 47.7 -12.0 -1.8 -10.9 111 116 A G S S+ 0 0 67 -16,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.838 115.8 110.7 56.1 39.5 -15.1 -2.3 -13.1 112 117 A I S S- 0 0 122 -5,-0.0 -3,-2.3 0, 0.0 2,-0.6 -0.972 80.0-106.1-136.1 138.2 -13.5 -0.4 -16.1 113 118 A L E +F 108 0A 87 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.593 42.6 172.5 -79.6 118.5 -12.7 -2.4 -19.1 114 119 A F E - 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