==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 31-JAN-12 4AGR . COMPND 2 MOLECULE: GALECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CINACHYRELLA; . AUTHOR D.M.FREYMANN,P.J.FOCIA,R.SAKAI,G.T.SWANSON . 572 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 68.5 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 . 311 54.4 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 . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 . 57 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 3.7 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 . 9 0 2 1 6 7 12 8 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 2 0 2 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 3 A P 0 0 109 0, 0.0 122,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 20.3 18.8 21.1 27.2 2 4 A I E +A 122 0A 92 120,-0.2 2,-0.3 2,-0.0 120,-0.2 -0.950 360.0 156.5-134.0 120.2 21.1 23.1 24.8 3 5 A Q E -A 121 0A 48 118,-2.2 118,-2.7 -2,-0.4 2,-0.3 -0.998 13.4-176.6-144.8 150.1 22.1 26.7 25.6 4 6 A S E -A 120 0A 4 -2,-0.3 291,-0.8 116,-0.2 2,-0.4 -0.979 16.2-155.7-141.3 153.5 24.8 29.1 24.8 5 7 A I E -AB 119 294A 0 114,-1.9 114,-2.0 -2,-0.3 2,-0.5 -0.985 15.0-154.0-120.9 133.9 26.0 32.5 25.5 6 8 A K E -AB 118 293A 102 287,-2.0 287,-3.0 -2,-0.4 2,-0.3 -0.953 17.3-170.2-108.7 134.6 28.1 34.2 22.9 7 9 A V E - B 0 292A 9 110,-1.8 285,-0.2 -2,-0.5 3,-0.1 -0.812 36.9 -88.7-118.5 153.3 30.4 36.8 24.4 8 10 A D E S- 0 0 58 283,-1.0 108,-0.1 -2,-0.3 -1,-0.0 -0.451 79.7 -71.4 -53.2 140.4 32.6 39.5 22.9 9 11 A P E - 0 0 85 0, 0.0 2,-0.5 0, 0.0 108,-0.2 -0.119 59.2-154.0 -53.0 129.9 35.9 37.5 22.4 10 12 A M E +A 116 0A 9 106,-2.3 106,-2.5 -3,-0.1 3,-0.1 -0.920 30.2 169.2-113.6 129.6 37.4 36.9 25.8 11 13 A K S S+ 0 0 149 -2,-0.5 2,-0.3 104,-0.2 -1,-0.1 0.345 79.5 21.3-113.0 -4.6 41.2 36.3 26.5 12 14 A S S S+ 0 0 84 2,-0.1 2,-0.3 128,-0.1 78,-0.2 -0.893 92.9 58.2-149.4 179.7 40.8 36.6 30.3 13 15 A G S S- 0 0 14 76,-0.3 76,-2.9 -2,-0.3 2,-0.3 -0.689 75.6 -86.9 90.4-153.3 38.0 36.3 32.8 14 16 A G E -LM 88 140B 0 126,-2.0 126,-3.5 -2,-0.3 2,-0.4 -0.976 14.4-136.0-160.7 158.3 35.9 33.2 33.3 15 17 A L E -LM 87 139B 0 72,-2.3 72,-3.2 -2,-0.3 2,-0.3 -0.997 25.9-173.1-127.6 128.1 32.8 31.2 32.3 16 18 A G E -LM 86 138B 2 122,-1.9 122,-2.5 -2,-0.4 2,-0.3 -0.884 9.1-172.8-124.5 158.0 30.5 29.6 34.8 17 19 A V E -LM 85 137B 2 68,-2.4 68,-2.6 -2,-0.3 2,-0.4 -0.989 5.6-165.2-143.8 144.3 27.5 27.3 34.7 18 20 A V E +LM 84 136B 34 118,-1.6 117,-2.8 -2,-0.3 118,-1.5 -0.999 24.5 152.1-125.7 130.2 25.1 26.1 37.3 19 21 A Y E -LM 83 134B 2 64,-2.5 64,-3.0 -2,-0.4 2,-0.5 -0.982 47.7-110.1-148.9 167.2 22.8 23.1 36.7 20 22 A R E -LM 82 133B 71 113,-2.8 113,-1.7 -2,-0.3 62,-0.3 -0.861 47.6-120.6 -97.4 127.8 21.0 20.4 38.5 21 23 A S - 0 0 1 60,-3.6 2,-0.2 -2,-0.5 -1,-0.0 -0.193 15.4-130.2 -70.5 158.9 22.8 17.1 37.5 22 24 A P - 0 0 0 0, 0.0 109,-0.2 0, 0.0 59,-0.1 -0.660 10.9-134.6 -93.7 161.4 21.1 14.1 35.8 23 25 A D S S+ 0 0 24 107,-1.6 2,-0.3 -2,-0.2 108,-0.1 0.519 92.6 27.5 -91.0 -7.0 21.5 10.6 37.2 24 26 A K S S+ 0 0 75 106,-0.5 2,-0.2 28,-0.0 108,-0.2 -0.978 103.1 34.3-144.2 160.0 22.2 9.3 33.6 25 27 A G E S-C 47 0A 0 22,-1.6 22,-2.4 -2,-0.3 21,-1.3 -0.607 81.2 -83.1 98.5-168.2 23.6 10.8 30.5 26 28 A R E -CD 45 124A 37 98,-1.9 98,-2.5 19,-0.2 2,-0.5 -0.993 19.9-146.7-134.6 150.5 26.4 13.4 30.3 27 29 A V E -CD 44 123A 1 17,-2.1 17,-2.4 -2,-0.3 2,-0.5 -0.978 24.1-162.6-109.2 126.4 26.4 17.2 30.5 28 30 A S E -CD 43 122A 0 94,-3.8 94,-1.6 -2,-0.5 2,-0.5 -0.922 10.4-159.0-115.0 133.0 29.0 18.7 28.3 29 31 A L E -CD 42 121A 2 13,-3.3 13,-2.8 -2,-0.5 2,-0.4 -0.924 14.2-166.3-108.4 123.7 30.4 22.2 28.4 30 32 A Y E -CD 41 120A 31 90,-2.5 90,-2.3 -2,-0.5 2,-0.5 -0.847 12.7-159.9-109.1 139.2 32.0 23.5 25.2 31 33 A L E -CD 40 119A 0 9,-3.0 8,-1.8 -2,-0.4 9,-1.0 -0.948 25.4-179.7-115.7 113.7 34.3 26.5 24.8 32 34 A Y E -CD 38 118A 25 86,-2.8 85,-3.5 -2,-0.5 86,-1.9 -0.739 22.4-145.2-112.7 153.2 34.3 27.7 21.1 33 35 A N > - 0 0 26 4,-1.1 3,-1.3 -2,-0.3 83,-0.1 -0.243 52.4 -77.8 -89.4-168.5 36.0 30.4 19.0 34 36 A D T 3 S+ 0 0 154 1,-0.2 82,-0.0 81,-0.2 -2,-0.0 0.799 131.2 51.5 -59.9 -35.7 34.3 32.1 15.9 35 37 A G T 3 S- 0 0 56 2,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.252 119.1-106.9 -88.1 14.0 35.0 29.1 13.6 36 38 A E < + 0 0 87 -3,-1.3 2,-0.2 1,-0.2 -2,-0.1 0.748 64.1 158.6 57.8 27.6 33.3 26.6 16.1 37 39 A D - 0 0 38 24,-0.1 2,-1.2 1,-0.1 -4,-1.1 -0.577 46.9-121.4 -73.5 146.7 36.7 25.1 17.1 38 40 A I E +CE 32 60A 9 22,-1.9 22,-1.9 1,-0.2 -6,-0.2 -0.747 31.7 177.4 -94.5 89.2 36.5 23.3 20.5 39 41 A L E S- 0 0 2 -8,-1.8 2,-0.2 -2,-1.2 70,-0.2 0.853 76.9 -17.9 -58.4 -32.5 39.2 25.2 22.5 40 42 A L E -C 31 0A 0 -9,-1.0 -9,-3.0 -3,-0.2 2,-0.4 -0.904 56.9-158.8-169.1 144.0 38.0 22.9 25.3 41 43 A V E -CE 30 58A 6 17,-2.1 17,-1.2 -2,-0.2 2,-0.6 -0.973 8.3-157.1-122.4 140.7 35.1 20.6 26.3 42 44 A V E -CE 29 57A 2 -13,-2.8 -13,-3.3 -2,-0.4 2,-0.8 -0.968 18.5-169.0-115.9 106.6 34.4 19.7 29.9 43 45 A D E -CE 28 56A 6 13,-3.1 13,-1.6 -2,-0.6 2,-0.9 -0.858 10.2-165.9-110.7 101.2 32.4 16.5 29.6 44 46 A A E -CE 27 55A 2 -17,-2.4 -17,-2.1 -2,-0.8 2,-0.9 -0.763 7.0-164.3 -89.2 107.0 30.8 15.2 32.7 45 47 A R E +CE 26 54A 40 9,-3.2 9,-2.9 -2,-0.9 -19,-0.2 -0.815 19.5 166.9 -94.6 98.2 29.8 11.6 32.0 46 48 A F E S- 0 0 5 -21,-1.3 7,-2.1 -2,-0.9 2,-0.2 0.909 87.4 -10.8 -72.2 -48.8 27.3 10.6 34.8 47 49 A D E S+CE 25 52A 33 -22,-2.4 -22,-1.6 5,-0.2 2,-0.5 -0.724 86.1 158.0-147.2 97.0 26.2 7.4 32.8 48 50 A W E > - E 0 51A 41 3,-2.2 3,-1.1 -3,-0.2 -3,-0.1 -0.811 67.1 -42.5-135.8 97.1 27.5 7.5 29.3 49 51 A R T 3 S- 0 0 194 -2,-0.5 2,-0.8 1,-0.3 -1,-0.1 0.957 122.8 -32.9 55.2 64.7 27.9 4.3 27.2 50 52 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 -0.214 117.9 105.1 91.5 -46.3 29.4 1.9 29.8 51 53 A E E < -E 48 0A 53 -3,-1.1 -3,-2.2 -2,-0.8 2,-0.4 -0.430 52.7-163.5 -64.7 138.7 31.3 4.7 31.7 52 54 A Q E -E 47 0A 123 -5,-0.2 -5,-0.2 1,-0.2 -6,-0.2 -0.967 63.9 -8.6-123.5 140.1 29.9 5.9 35.0 53 55 A N E S+ 0 0 30 -7,-2.1 2,-0.4 -2,-0.4 -7,-0.2 0.860 88.0 150.8 40.3 64.0 30.9 9.1 36.8 54 56 A V E -E 45 0A 32 -9,-2.9 -9,-3.2 -3,-0.1 2,-0.5 -0.985 36.0-150.6-131.2 132.1 33.8 10.1 34.6 55 57 A L E -E 44 0A 5 14,-0.4 2,-0.4 -2,-0.4 -11,-0.2 -0.862 17.3-176.8-102.6 137.6 35.2 13.5 33.7 56 58 A V E -E 43 0A 4 -13,-1.6 -13,-3.1 -2,-0.5 2,-0.4 -0.997 7.6-171.1-140.3 127.6 36.8 14.1 30.4 57 59 A L E +EF 42 67A 1 10,-2.8 10,-2.1 -2,-0.4 2,-0.3 -0.944 21.7 139.2-119.0 143.1 38.5 17.1 28.9 58 60 A N E -E 41 0A 7 -17,-1.2 -17,-2.1 -2,-0.4 2,-0.3 -0.976 32.0-138.4-166.0 173.2 39.7 17.6 25.4 59 61 A S E + 0 0 2 -2,-0.3 2,-0.3 6,-0.3 -20,-0.2 -0.911 19.3 169.4-135.1 164.9 40.0 19.9 22.4 60 62 A K E E 38 0A 86 -22,-1.9 -22,-1.9 -2,-0.3 4,-0.1 -0.975 360.0 360.0-166.1 168.9 39.5 19.6 18.6 61 63 A F 0 0 150 -2,-0.3 -24,-0.1 -24,-0.2 51,-0.1 -0.593 360.0 360.0 -88.7 360.0 39.3 21.7 15.4 62 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 63 68 A W 0 0 172 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -93.2 40.3 14.7 18.6 64 69 A G - 0 0 43 -6,-0.1 -4,-0.0 -4,-0.1 0, 0.0 -0.613 360.0 -20.4 125.9 170.3 43.5 14.5 20.5 65 70 A P - 0 0 97 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.106 61.1-141.6 -60.2 138.8 44.7 13.4 23.9 66 71 A E - 0 0 89 -8,-0.1 2,-0.3 2,-0.0 -8,-0.2 -0.869 7.5-152.6-104.9 129.2 42.0 13.2 26.5 67 72 A V B -F 57 0A 44 -10,-2.1 -10,-2.8 -2,-0.5 39,-0.0 -0.771 4.7-165.3 -95.7 146.9 42.6 14.2 30.1 68 73 A R - 0 0 111 -2,-0.3 -12,-0.2 -12,-0.2 2,-0.0 -0.761 10.7-167.4-136.4 84.7 40.6 12.6 32.8 69 74 A P - 0 0 16 0, 0.0 -14,-0.4 0, 0.0 3,-0.3 -0.349 13.3-133.5 -72.6 155.4 40.9 14.6 36.1 70 75 A E S S+ 0 0 144 33,-0.2 -16,-0.0 1,-0.1 152,-0.0 -0.419 76.2 56.9 -90.4 175.3 39.7 13.2 39.5 71 76 A G + 0 0 24 1,-0.3 -1,-0.1 151,-0.2 154,-0.1 0.346 56.3 142.8 88.5 -9.0 37.6 15.2 42.0 72 77 A F - 0 0 3 -3,-0.3 2,-2.3 1,-0.1 -1,-0.3 -0.537 60.6-117.3 -68.0 132.6 34.5 16.2 39.9 73 78 A P + 0 0 6 0, 0.0 -1,-0.1 0, 0.0 153,-0.1 -0.333 46.3 166.9 -83.6 63.2 31.6 16.0 42.4 74 79 A F - 0 0 2 -2,-2.3 147,-2.8 147,-0.1 150,-0.2 -0.614 38.6-122.3 -65.0 123.5 29.5 13.2 40.7 75 80 A P B -U 220 0C 7 0, 0.0 -22,-0.1 0, 0.0 144,-0.1 -0.417 22.7-117.7 -67.8 150.6 27.0 12.2 43.3 76 81 A C S > S+ 0 0 7 143,-3.4 3,-1.6 141,-0.1 145,-0.1 -0.110 71.0 6.6 -67.2 169.7 26.7 8.6 44.5 77 82 A C T 3 S- 0 0 80 1,-0.3 144,-0.0 139,-0.0 118,-0.0 0.106 124.2 -31.7 65.3-156.7 23.8 6.3 44.3 78 83 A G T 3 S+ 0 0 50 2,-0.0 -1,-0.3 51,-0.0 51,-0.1 0.566 104.1 133.5 -73.5 8.1 20.8 7.3 42.3 79 84 A Y < - 0 0 40 -3,-1.6 2,-0.3 138,-0.1 138,-0.0 -0.054 38.7-169.4 -89.0 160.7 21.3 11.0 43.2 80 85 A V + 0 0 22 136,-0.1 2,-0.3 -6,-0.1 -57,-0.1 -0.899 14.1 167.9-129.0 153.2 21.3 14.4 41.7 81 86 A T - 0 0 6 -2,-0.3 -60,-3.6 -59,-0.1 2,-0.5 -0.907 41.1 -77.6-149.6 179.2 22.4 17.7 43.0 82 87 A T E -L 20 0B 21 -2,-0.3 2,-0.4 -62,-0.3 -62,-0.2 -0.779 45.4-167.6 -80.7 128.0 23.3 21.4 42.1 83 88 A I E -L 19 0B 0 -64,-3.0 -64,-2.5 -2,-0.5 2,-0.5 -0.964 11.5-163.4-123.7 138.0 26.6 21.7 40.5 84 89 A T E -L 18 0B 62 -2,-0.4 15,-2.9 -66,-0.2 2,-0.4 -0.980 12.6-174.8-118.5 119.2 28.5 24.9 39.9 85 90 A V E -LN 17 98B 1 -68,-2.6 -68,-2.4 -2,-0.5 2,-0.4 -0.921 3.3-169.5-121.2 139.9 31.3 24.7 37.4 86 91 A R E -LN 16 97B 87 11,-3.4 11,-2.9 -2,-0.4 2,-0.5 -0.989 7.1-165.2-129.0 138.9 33.7 27.5 36.6 87 92 A V E -LN 15 96B 0 -72,-3.2 -72,-2.3 -2,-0.4 2,-0.4 -0.950 11.4-154.6-126.4 114.5 36.3 27.8 33.8 88 93 A E E -LN 14 95B 57 7,-2.7 2,-1.2 -2,-0.5 7,-1.1 -0.691 11.4-141.3 -86.4 133.3 39.0 30.5 34.1 89 94 A I E + N 0 94B 6 -76,-2.9 -76,-0.3 -2,-0.4 5,-0.2 -0.733 37.8 173.4 -95.9 86.5 40.6 31.8 30.9 90 95 A G - 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