==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 27-APR-07 2YY1 . COMPND 2 MOLECULE: GALECTIN-9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.KISHISHITA,A.NISHINO,K.MURAYAMA,T.TERADA,M.SHIROUZU, . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 78.7 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 . 68 48.2 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 . 29 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.7 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 1 4 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 . 0 0 0 0 1 0 1 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 14 A Q 0 0 77 0, 0.0 140,-0.5 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 136.0 24.7 -14.8 28.9 2 15 A A - 0 0 72 1,-0.1 2,-0.1 138,-0.1 0, 0.0 -0.334 360.0-103.6 -67.5 151.9 21.6 -15.4 31.1 3 16 A P - 0 0 67 0, 0.0 2,-0.7 0, 0.0 137,-0.2 -0.407 23.5-119.4 -76.9 152.3 18.9 -12.8 30.9 4 17 A Y E -A 139 0A 60 135,-2.8 135,-2.1 -2,-0.1 2,-0.5 -0.860 36.5-153.0 -89.7 118.0 18.3 -10.2 33.5 5 18 A L E -A 138 0A 129 -2,-0.7 133,-0.2 1,-0.2 132,-0.1 -0.837 62.7 -15.4-101.7 131.6 14.7 -10.9 34.7 6 19 A S S S- 0 0 99 131,-2.9 -1,-0.2 -2,-0.5 132,-0.2 0.874 81.9-173.4 47.5 48.2 12.5 -8.2 36.2 7 20 A P - 0 0 17 0, 0.0 129,-0.5 0, 0.0 -1,-0.1 -0.436 22.5-119.4 -70.4 146.2 15.4 -5.8 36.8 8 21 A A - 0 0 79 2,-0.1 127,-0.1 127,-0.1 129,-0.0 -0.446 39.6 -89.7 -80.4 158.8 14.4 -2.7 38.7 9 22 A V S S+ 0 0 46 -2,-0.1 2,-0.2 2,-0.1 122,-0.1 -0.969 108.5 49.8-120.1 137.6 14.9 0.7 37.1 10 23 A P S S+ 0 0 110 0, 0.0 2,-0.3 0, 0.0 121,-0.2 0.483 89.3 176.3 -61.3 157.7 17.2 2.5 37.1 11 24 A F E -F 130 0B 25 119,-2.6 119,-2.2 -2,-0.2 2,-0.3 -0.988 25.4-178.8-141.9 149.4 19.4 -0.4 36.1 12 25 A S E +F 129 0B 60 -2,-0.3 2,-0.3 117,-0.2 117,-0.2 -0.970 15.9 169.6-146.4 127.9 23.0 -1.1 35.2 13 26 A G E -F 128 0B 3 115,-2.5 115,-2.6 -2,-0.3 2,-0.1 -1.000 34.2-109.9-146.8 145.2 24.3 -4.5 34.2 14 27 A T E -F 127 0B 61 -2,-0.3 2,-0.8 113,-0.2 113,-0.3 -0.429 21.5-141.0 -70.8 141.8 27.5 -6.0 32.8 15 28 A I > - 0 0 1 111,-3.1 3,-2.2 -2,-0.1 -1,-0.1 -0.918 29.5-126.6-103.8 104.1 27.3 -7.4 29.2 16 29 A Q T 3 S+ 0 0 119 -2,-0.8 111,-0.0 1,-0.3 110,-0.0 -0.294 89.5 8.1 -57.7 127.3 29.4 -10.5 29.5 17 30 A G T 3 S- 0 0 76 109,-0.1 -1,-0.3 -2,-0.1 109,-0.0 0.263 114.7-103.9 86.1 -11.3 32.2 -10.7 26.9 18 31 A G < - 0 0 8 -3,-2.2 108,-0.2 108,-0.2 105,-0.1 -0.020 63.4 -37.3 77.6 168.7 31.4 -7.1 25.9 19 32 A L - 0 0 1 106,-2.2 2,-0.3 103,-0.5 106,-0.1 -0.362 69.3-176.7 -63.5 145.5 29.5 -6.2 22.7 20 33 A Q > - 0 0 91 79,-0.0 3,-2.2 103,-0.0 79,-0.2 -0.975 36.1 -83.2-143.0 153.5 30.4 -8.5 19.8 21 34 A D T 3 S+ 0 0 104 -2,-0.3 79,-0.2 1,-0.3 3,-0.1 -0.349 116.9 19.4 -57.7 130.1 29.5 -8.7 16.1 22 35 A G T 3 S+ 0 0 51 77,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.271 88.2 138.4 93.2 -12.3 26.2 -10.5 15.7 23 36 A L < - 0 0 29 -3,-2.2 76,-3.2 76,-0.2 2,-0.5 -0.487 36.5-160.3 -70.2 132.9 25.1 -10.0 19.3 24 37 A Q E -B 98 0A 84 74,-0.2 2,-0.5 -2,-0.2 74,-0.2 -0.966 2.1-163.2-119.5 118.9 21.4 -9.1 19.7 25 38 A I E -B 97 0A 0 72,-3.0 72,-3.2 -2,-0.5 2,-0.5 -0.886 4.1-159.8-103.6 126.5 20.2 -7.4 22.9 26 39 A T E -BC 96 140A 17 114,-2.2 114,-2.3 -2,-0.5 2,-0.6 -0.910 5.4-169.8-109.4 127.2 16.5 -7.4 23.7 27 40 A V E -BC 95 139A 2 68,-2.8 68,-2.8 -2,-0.5 2,-0.6 -0.959 5.1-170.7-115.9 112.4 15.1 -4.9 26.1 28 41 A N E +BC 94 138A 26 110,-3.1 109,-3.2 -2,-0.6 110,-1.8 -0.918 28.1 128.0-106.3 123.2 11.5 -5.7 27.0 29 42 A G E -BC 93 136A 0 64,-1.4 64,-2.5 -2,-0.6 2,-0.4 -0.919 47.3-118.3-157.8-177.0 9.8 -3.0 29.0 30 43 A T E -BC 92 135A 22 105,-2.8 105,-2.7 -2,-0.3 2,-0.5 -0.996 23.5-125.8-139.4 130.0 6.8 -0.7 29.4 31 44 A V E - C 0 134A 0 60,-0.5 59,-2.6 57,-0.4 103,-0.2 -0.635 36.0-141.1 -75.7 124.5 6.7 3.1 29.4 32 45 A L - 0 0 59 101,-0.8 2,-0.5 -2,-0.5 3,-0.2 -0.393 3.1-128.8 -87.1 163.6 4.9 4.2 32.6 33 46 A S S S+ 0 0 81 1,-0.2 4,-0.1 -2,-0.1 101,-0.0 -0.953 90.4 24.0-111.8 128.0 2.5 7.0 33.3 34 47 A S S S+ 0 0 127 -2,-0.5 -1,-0.2 2,-0.3 3,-0.1 0.465 100.5 87.5 98.2 5.0 3.3 9.4 36.2 35 48 A S S S- 0 0 76 1,-0.3 2,-0.1 -3,-0.2 -2,-0.1 0.650 95.6 -51.6 -94.3-100.9 7.0 8.9 36.3 36 49 A G - 0 0 33 2,-0.1 -1,-0.3 -4,-0.1 -2,-0.3 -0.164 47.2-102.4-117.7-146.9 8.9 11.2 34.0 37 50 A T S S+ 0 0 67 1,-0.2 23,-2.6 -2,-0.1 2,-0.3 0.388 93.0 31.1-125.5 -2.8 8.8 12.2 30.4 38 51 A R B -G 59 0B 98 21,-0.2 95,-2.6 22,-0.1 2,-0.3 -0.986 52.7-171.1-153.9 160.0 11.7 10.2 29.0 39 52 A F E -H 132 0B 3 19,-1.6 2,-0.3 93,-0.3 93,-0.3 -0.935 11.7-158.3-145.5 165.7 13.7 7.1 29.4 40 53 A A E -H 131 0B 1 91,-2.5 91,-1.7 -2,-0.3 2,-0.4 -0.996 15.8-149.3-151.3 155.7 17.0 5.8 27.9 41 54 A V E -HI 130 56B 0 15,-2.1 15,-2.7 -2,-0.3 2,-0.4 -0.995 24.8-164.0-122.9 128.7 19.0 2.7 27.1 42 55 A N E -HI 129 55B 6 87,-3.2 87,-2.0 -2,-0.4 2,-0.8 -0.963 19.8-159.5-124.6 131.2 22.8 3.1 27.1 43 56 A F E +HI 128 54B 0 11,-2.6 11,-1.7 -2,-0.4 10,-1.3 -0.909 43.1 157.4-102.7 104.3 25.5 0.9 25.8 44 57 A Q E -HI 127 52B 5 83,-2.8 83,-2.2 -2,-0.8 82,-1.9 -0.720 49.1-108.9-128.2 175.4 28.5 2.1 27.8 45 58 A T S S- 0 0 54 6,-2.0 6,-0.4 80,-0.2 4,-0.3 -0.930 86.8 -17.9-106.7 114.3 31.9 1.3 29.1 46 59 A G S S- 0 0 24 -2,-0.6 3,-0.3 1,-0.2 80,-0.1 -0.112 88.7 -78.1 79.4 177.0 31.9 0.8 32.9 47 60 A F S S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.550 107.0 89.5 -93.8 -8.0 29.1 1.9 35.3 48 61 A S S S- 0 0 93 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.807 80.8-142.3 -59.0 -32.5 30.1 5.6 35.5 49 62 A G S S+ 0 0 13 -4,-0.3 3,-0.2 -3,-0.3 -1,-0.1 0.689 71.0 113.1 75.5 17.4 27.9 6.5 32.5 50 63 A N S S+ 0 0 65 -5,-0.3 24,-2.5 1,-0.3 2,-0.6 0.726 73.1 47.0 -91.5 -26.3 30.5 9.0 31.4 51 64 A D + 0 0 52 -6,-0.4 -6,-2.0 22,-0.2 2,-0.6 -0.925 69.0 171.4-121.1 104.3 31.4 7.1 28.2 52 65 A I E -IJ 44 71B 6 19,-1.9 19,-3.2 -2,-0.6 -8,-0.3 -0.931 17.9-172.7-119.2 109.1 28.4 6.0 26.2 53 66 A A E S+ 0 0 8 -10,-1.3 2,-0.4 -2,-0.6 66,-0.3 0.899 83.6 17.8 -64.0 -41.4 28.9 4.5 22.8 54 67 A F E -I 43 0B 0 -11,-1.7 -11,-2.6 16,-0.1 2,-0.6 -0.933 64.5-175.2-142.1 115.6 25.2 4.4 22.1 55 68 A H E -IJ 42 69B 25 14,-2.6 14,-1.6 -2,-0.4 2,-0.7 -0.942 5.0-170.5-109.5 113.4 22.5 6.4 23.9 56 69 A F E +IJ 41 68B 0 -15,-2.7 -15,-2.1 -2,-0.6 12,-0.2 -0.912 13.0 175.4-108.7 107.1 18.9 5.6 22.8 57 70 A N E - J 0 67B 7 10,-3.6 10,-2.2 -2,-0.7 -17,-0.2 -0.756 16.1-165.0-125.2 88.6 16.6 8.2 24.4 58 71 A P E - J 0 66B 0 0, 0.0 -19,-1.6 0, 0.0 2,-0.5 -0.476 13.8-159.7 -67.3 133.4 12.9 8.3 23.6 59 72 A R E -GJ 38 65B 29 6,-3.5 6,-2.2 -21,-0.2 2,-2.1 -0.932 18.1-160.4-126.3 111.6 11.4 11.6 24.7 60 73 A F + 0 0 40 -23,-2.6 2,-0.3 -2,-0.5 -22,-0.1 -0.441 63.7 103.3 -83.6 62.9 7.6 12.0 25.3 61 74 A E S > S+ 0 0 39 -2,-2.1 3,-2.5 4,-0.2 -2,-0.1 -0.974 72.1 13.2-143.9 152.8 8.0 15.7 25.0 62 75 A D T 3 S- 0 0 148 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 0.681 140.5 -39.4 55.6 20.5 7.2 18.4 22.4 63 76 A G T 3 S- 0 0 84 2,-0.1 -1,-0.3 0, 0.0 22,-0.2 0.211 109.2 -71.2 114.2 -16.0 5.2 15.9 20.4 64 77 A G < + 0 0 10 -3,-2.5 21,-0.4 -5,-0.1 2,-0.3 0.518 62.5 160.4 98.2 120.1 7.4 12.9 20.9 65 78 A Y E -J 59 0B 18 -6,-2.2 -6,-3.5 19,-0.1 2,-0.4 -0.984 30.8-120.8-164.4 160.2 10.8 12.1 19.5 66 79 A V E -JK 58 82B 1 16,-2.8 16,-1.9 -2,-0.3 2,-0.4 -0.905 17.2-152.7-113.8 136.8 13.8 9.9 20.0 67 80 A V E -JK 57 81B 1 -10,-2.2 -10,-3.6 -2,-0.4 2,-0.4 -0.905 9.9-174.2-108.5 134.5 17.4 11.0 20.5 68 81 A C E +JK 56 80B 7 12,-2.6 12,-2.5 -2,-0.4 2,-0.3 -0.993 23.4 138.0-124.5 131.8 20.4 8.9 19.6 69 82 A N E -J 55 0B 1 -14,-1.6 -14,-2.6 -2,-0.4 2,-0.4 -0.971 42.2-119.9-162.5 174.1 23.9 10.1 20.4 70 83 A T E - 0 0 3 -2,-0.3 7,-2.3 -16,-0.2 2,-0.5 -0.952 16.8-153.6-125.8 146.3 27.3 9.1 21.7 71 84 A R E -JL 52 76B 74 -19,-3.2 -19,-1.9 -2,-0.4 2,-0.5 -0.979 9.6-174.2-125.1 121.6 29.1 10.4 24.8 72 85 A Q E > S- L 0 75B 91 3,-2.7 3,-1.8 -2,-0.5 -21,-0.2 -0.956 74.3 -20.9-119.9 116.6 32.9 10.5 25.1 73 86 A N T 3 S- 0 0 121 -2,-0.5 -22,-0.2 1,-0.3 -1,-0.2 0.880 130.6 -48.0 56.0 40.0 34.5 11.5 28.3 74 87 A G T 3 S+ 0 0 25 -24,-2.5 2,-0.6 1,-0.2 -1,-0.3 0.425 114.0 122.3 83.2 -1.6 31.4 13.3 29.4 75 88 A S E < -L 72 0B 80 -3,-1.8 -3,-2.7 -25,-0.2 2,-0.3 -0.854 52.9-146.5-101.8 121.5 31.0 15.0 26.0 76 89 A W E -L 71 0B 107 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.657 15.2-149.6 -83.2 134.9 27.8 14.5 24.0 77 90 A G - 0 0 33 -7,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.050 46.1 -47.9 -86.1-159.9 28.3 14.6 20.2 78 91 A P - 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -8,-0.2 -0.595 65.9-124.3 -75.4 131.3 25.8 15.8 17.6 79 92 A E - 0 0 88 -2,-0.3 2,-0.5 -10,-0.1 -10,-0.2 -0.400 11.7-149.5 -78.6 151.7 22.4 14.2 18.2 80 93 A E E -K 68 0B 86 -12,-2.5 -12,-2.6 -2,-0.1 2,-0.4 -0.983 23.4-168.5-116.4 126.4 20.4 12.2 15.7 81 94 A R E -K 67 0B 133 -2,-0.5 2,-0.4 -14,-0.2 -14,-0.2 -0.939 17.2-165.8-124.1 145.4 16.7 12.6 16.2 82 95 A K E -K 66 0B 76 -16,-1.9 -16,-2.8 -2,-0.4 -2,-0.0 -0.996 6.9-160.1-126.3 131.8 13.6 10.8 14.8 83 96 A T + 0 0 102 -2,-0.4 2,-0.8 -18,-0.2 -1,-0.1 0.295 67.7 87.4 -96.5 8.9 10.2 12.4 15.2 84 97 A H S S- 0 0 138 -18,-0.1 -19,-0.1 2,-0.0 -1,-0.1 -0.770 70.7-149.4-111.6 87.6 7.9 9.4 14.8 85 98 A M - 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