==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 10-JUL-09 3I8T . COMPND 2 MOLECULE: GALECTIN-4; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.BRYNDA,V.KREJCIRIKOVA,P.REZACOVA . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 66.4 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 . 67 47.9 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 . 14 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.4 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+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 1 1 2 1 3 1 1 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 1 0 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 25 A Y 0 0 283 0, 0.0 3,-0.1 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0 1.0 21.1 76.2 -0.1 2 26 A N - 0 0 82 1,-0.1 131,-0.2 132,-0.0 132,-0.1 -0.255 360.0 -82.3 -60.5 151.2 19.4 74.6 3.0 3 27 A P - 0 0 27 0, 0.0 129,-0.5 0, 0.0 -1,-0.1 -0.371 45.6-131.2 -58.7 131.3 15.6 74.7 3.0 4 28 A T - 0 0 121 2,-0.1 127,-0.0 -3,-0.1 0, 0.0 -0.384 37.6 -77.3 -74.7 161.8 14.1 78.0 4.3 5 29 A L S S+ 0 0 52 2,-0.1 122,-0.1 -2,-0.1 2,-0.1 -0.849 107.9 44.9-113.2 147.6 11.4 78.1 7.0 6 30 A P S S- 0 0 81 0, 0.0 2,-0.5 0, 0.0 121,-0.2 0.548 81.3-163.8 -64.8 140.9 8.4 77.6 7.1 7 31 A Y E +A 126 0A 20 119,-2.8 119,-2.7 -2,-0.1 2,-0.3 -0.880 15.8 169.0 -97.1 129.2 9.0 74.5 5.0 8 32 A K E +A 125 0A 67 -2,-0.5 117,-0.2 117,-0.2 34,-0.0 -0.911 8.1 155.4-143.2 116.5 5.8 73.2 3.4 9 33 A R E -A 124 0A 135 115,-2.1 115,-2.8 -2,-0.3 2,-0.1 -0.991 42.5-102.8-141.5 146.2 6.0 70.5 0.7 10 34 A P E -A 123 0A 83 0, 0.0 113,-0.3 0, 0.0 112,-0.0 -0.393 32.1-121.8 -64.8 144.8 3.8 67.7 -0.7 11 35 A I > - 0 0 5 111,-2.6 3,-2.7 -2,-0.1 2,-0.1 -0.826 39.1-111.4 -81.3 116.8 4.5 64.1 0.3 12 36 A P T 3 S- 0 0 81 0, 0.0 -1,-0.0 0, 0.0 111,-0.0 -0.313 99.0 -0.0 -59.1 118.8 5.1 62.4 -3.1 13 37 A G T 3 S- 0 0 87 127,-0.1 2,-0.0 -2,-0.1 109,-0.0 0.288 121.3 -87.9 86.4 -7.2 2.1 60.0 -3.6 14 38 A G < - 0 0 20 -3,-2.7 2,-0.2 108,-0.2 108,-0.2 -0.020 61.5 -57.5 84.1 160.8 0.5 61.0 -0.3 15 39 A L + 0 0 6 106,-2.3 2,-0.3 103,-0.3 106,-0.1 -0.546 60.9 172.8 -72.4 139.9 1.2 59.4 3.1 16 40 A S > - 0 0 50 -2,-0.2 3,-1.8 103,-0.1 79,-0.2 -0.961 41.6 -86.1-145.3 157.1 0.6 55.7 3.4 17 41 A V T 3 S+ 0 0 74 -2,-0.3 79,-0.2 1,-0.2 3,-0.1 -0.444 114.9 37.5 -62.3 131.8 1.2 53.0 6.0 18 42 A G T 3 S+ 0 0 56 77,-2.9 -1,-0.2 1,-0.5 2,-0.1 0.207 91.4 118.1 111.4 -17.7 4.7 51.6 5.6 19 43 A M < - 0 0 2 -3,-1.8 76,-3.2 76,-0.1 -1,-0.5 -0.440 44.9-161.1 -78.4 154.7 6.3 55.0 4.8 20 44 A S E -HI 94 138B 21 118,-2.2 118,-2.9 74,-0.2 2,-0.4 -0.944 7.7-152.2-131.9 159.3 8.9 56.8 6.7 21 45 A V E -HI 93 137B 0 72,-2.4 72,-2.8 -2,-0.3 2,-0.4 -0.997 10.0-164.6-129.1 135.0 10.1 60.4 6.9 22 46 A Y E -HI 92 136B 78 114,-2.4 114,-2.3 -2,-0.4 2,-0.4 -0.998 6.2-173.0-140.5 131.7 13.6 61.2 7.9 23 47 A I E -HI 91 135B 1 68,-1.6 68,-3.2 -2,-0.4 2,-0.5 -0.954 7.2-169.3-153.6 106.7 14.6 64.7 8.9 24 48 A Q E +HI 90 134B 60 110,-2.5 109,-2.8 -2,-0.4 110,-1.9 -0.978 31.3 124.1-113.1 132.5 18.1 66.1 9.6 25 49 A G E -HI 89 132B 0 64,-1.7 64,-3.4 -2,-0.5 2,-0.4 -0.908 51.3-103.5-160.6-166.0 18.4 69.5 11.1 26 50 A M E -HI 88 131B 42 105,-2.5 105,-2.9 62,-0.3 2,-0.3 -0.998 25.2-126.6-134.4 130.2 19.9 71.5 14.0 27 51 A A E - I 0 130B 0 60,-2.6 59,-1.4 57,-0.4 103,-0.2 -0.630 40.4-110.5 -68.1 134.9 18.1 72.8 17.0 28 52 A K > - 0 0 77 101,-2.2 3,-1.9 -2,-0.3 58,-0.3 -0.364 20.8-116.2 -67.6 154.3 18.9 76.5 17.3 29 53 A E T 3 S+ 0 0 146 1,-0.3 -1,-0.1 56,-0.3 56,-0.1 0.730 118.0 37.9 -59.0 -26.2 21.2 77.6 20.2 30 54 A N T 3 S+ 0 0 118 56,-0.0 -1,-0.3 99,-0.0 -2,-0.1 -0.082 87.9 160.8-118.8 32.2 18.3 79.7 21.6 31 55 A M < + 0 0 0 -3,-1.9 54,-0.1 1,-0.2 3,-0.1 -0.305 20.0 168.0 -61.1 133.6 15.5 77.3 20.7 32 56 A R - 0 0 194 1,-0.4 24,-3.1 23,-0.1 2,-0.3 0.724 67.8 -33.3-103.6 -51.6 12.1 77.6 22.5 33 57 A R B -B 55 0A 109 22,-0.2 96,-3.0 2,-0.0 -1,-0.4 -0.990 48.7-174.1-161.2 164.6 10.2 75.2 20.2 34 58 A F E -C 128 0A 2 20,-1.4 2,-0.3 -2,-0.3 94,-0.3 -0.958 13.6-151.5-150.2 170.5 9.6 73.8 16.8 35 59 A H E -C 127 0A 40 92,-2.6 92,-1.8 -2,-0.3 2,-0.4 -0.986 13.2-153.2-142.1 159.2 7.1 71.6 15.1 36 60 A V E -CD 126 52A 1 16,-2.0 16,-2.6 -2,-0.3 2,-0.4 -0.997 22.8-162.3-123.5 126.9 6.6 69.1 12.3 37 61 A N E -CD 125 51A 17 88,-3.1 88,-2.6 -2,-0.4 2,-0.9 -0.932 19.1-151.7-111.5 132.6 3.1 68.7 11.0 38 62 A F E -CD 124 50A 0 12,-2.7 11,-1.9 -2,-0.4 12,-1.0 -0.894 40.9-160.1 -93.5 100.1 1.6 65.9 8.9 39 63 A A E -CD 123 48A 7 84,-2.7 83,-2.2 -2,-0.9 84,-1.9 -0.604 28.5-133.6-101.7 149.5 -0.9 68.1 7.2 40 64 A V S S- 0 0 35 7,-2.8 7,-0.4 81,-0.3 81,-0.2 -0.795 80.4 -24.7 -95.0 90.2 -4.2 67.5 5.3 41 65 A G S S- 0 0 24 -2,-1.0 82,-0.1 79,-0.2 5,-0.1 -0.156 80.4 -77.5 90.5 173.8 -3.7 69.7 2.3 42 66 A Q S S+ 0 0 123 80,-0.1 -1,-0.1 3,-0.1 4,-0.0 0.617 84.7 109.6 -91.6 -19.2 -1.7 72.8 1.4 43 67 A D S > S- 0 0 133 -3,-0.2 3,-0.8 1,-0.1 -3,-0.0 -0.092 75.2-117.9 -59.4 166.1 -3.6 75.6 3.0 44 68 A D T 3 S+ 0 0 137 1,-0.3 -1,-0.1 0, 0.0 -3,-0.0 0.699 111.0 39.6 -93.1 -21.6 -2.0 77.2 6.0 45 69 A G T 3 S+ 0 0 64 2,-0.0 -1,-0.3 3,-0.0 25,-0.1 -0.060 87.3 147.4-109.8 31.5 -4.6 76.4 8.6 46 70 A A < - 0 0 18 -3,-0.8 -5,-0.1 1,-0.1 21,-0.0 -0.182 58.5 -90.5 -51.0 149.9 -5.1 72.9 7.2 47 71 A D - 0 0 38 -7,-0.4 -7,-2.8 -8,-0.1 2,-0.5 -0.275 39.1-141.9 -58.0 156.4 -6.0 70.1 9.5 48 72 A V E -DE 39 67A 7 19,-1.9 19,-2.0 -9,-0.2 -9,-0.2 -0.964 14.7-166.4-132.2 111.4 -3.0 68.2 11.0 49 73 A A E S+ 0 0 1 -11,-1.9 66,-0.4 -2,-0.5 2,-0.3 0.857 86.2 14.1 -64.8 -33.0 -3.1 64.4 11.5 50 74 A F E -D 38 0A 0 -12,-1.0 -12,-2.7 64,-0.1 2,-0.5 -0.929 63.1-171.7-153.2 118.4 -0.0 64.6 13.6 51 75 A H E -DE 37 65A 18 14,-2.8 14,-1.7 -2,-0.3 2,-0.5 -0.963 7.9-166.6-109.3 120.8 1.7 67.6 15.2 52 76 A F E +DE 36 64A 0 -16,-2.6 -16,-2.0 -2,-0.5 12,-0.2 -0.944 14.3 175.7-115.6 120.9 5.1 66.8 16.8 53 77 A N E - E 0 63A 6 10,-2.5 10,-2.1 -2,-0.5 -18,-0.2 -0.714 17.3-164.9-145.2 79.3 6.1 69.8 19.0 54 78 A P E - E 0 62A 0 0, 0.0 -20,-1.4 0, 0.0 2,-0.4 -0.421 17.7-172.0 -62.4 134.9 9.3 69.8 21.2 55 79 A R E -BE 33 61A 43 6,-3.2 6,-2.4 -22,-0.2 2,-0.4 -0.974 24.0-152.0-137.9 123.6 9.2 72.7 23.7 56 80 A F + 0 0 37 -24,-3.1 2,-0.2 -2,-0.4 3,-0.1 -0.818 49.3 126.7 -85.7 129.7 11.8 74.0 26.1 57 81 A D S S- 0 0 58 -2,-0.4 3,-0.3 1,-0.4 -2,-0.0 -0.661 83.6 -55.2-154.6-158.3 9.7 75.5 29.1 58 82 A G S S+ 0 0 80 1,-0.3 2,-0.9 -2,-0.2 -1,-0.4 0.969 140.3 36.2 -55.0 -78.7 9.9 74.8 32.7 59 83 A W S S- 0 0 165 -3,-0.1 -1,-0.3 1,-0.0 2,-0.1 -0.612 93.3-137.0 -73.1 106.1 9.5 71.1 32.0 60 84 A D + 0 0 67 -2,-0.9 2,-0.3 -3,-0.3 -4,-0.2 -0.401 48.1 143.9 -62.4 129.5 11.3 70.4 28.8 61 85 A K E -E 55 0A 24 -6,-2.4 -6,-3.2 18,-0.2 2,-0.4 -0.931 51.1-114.6-156.7 169.3 8.9 68.1 26.9 62 86 A V E -EF 54 78A 0 16,-2.2 16,-2.2 -2,-0.3 2,-0.4 -0.982 26.9-153.9-117.6 133.0 7.5 67.1 23.5 63 87 A V E -EF 53 77A 1 -10,-2.1 -10,-2.5 -2,-0.4 2,-0.4 -0.856 7.9-166.8-104.3 141.2 3.8 67.8 22.8 64 88 A F E +EF 52 76A 0 12,-2.7 12,-2.7 -2,-0.4 2,-0.3 -0.997 20.4 145.8-129.7 136.3 1.8 65.7 20.3 65 89 A N E -E 51 0A 2 -14,-1.7 -14,-2.8 -2,-0.4 2,-0.4 -0.935 36.7-129.3-159.6 175.8 -1.6 66.6 18.9 66 90 A T E - 0 0 4 -2,-0.3 7,-2.4 -16,-0.2 2,-0.5 -0.986 13.1-149.4-134.5 136.6 -4.1 66.6 16.0 67 91 A M E +EG 48 72A 28 -19,-2.0 -19,-1.9 -2,-0.4 2,-0.4 -0.966 23.1 178.2-107.4 122.8 -6.0 69.5 14.6 68 92 A Q E > - G 0 71A 96 3,-2.7 3,-1.7 -2,-0.5 -2,-0.1 -0.995 67.2 -7.4-133.8 134.0 -9.4 68.5 13.2 69 93 A S T 3 S- 0 0 100 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.864 133.8 -53.9 43.9 41.9 -12.0 70.7 11.6 70 94 A G T 3 S+ 0 0 39 1,-0.2 2,-0.4 -25,-0.1 -1,-0.3 0.539 116.6 109.0 82.4 7.3 -9.7 73.6 12.9 71 95 A Q E < -G 68 0A 147 -3,-1.7 -3,-2.7 0, 0.0 -1,-0.2 -0.974 65.7-126.7-126.0 131.8 -9.6 72.5 16.5 72 96 A W E -G 67 0A 117 -2,-0.4 -5,-0.2 -5,-0.3 3,-0.1 -0.462 29.2-147.8 -65.2 137.7 -6.7 71.0 18.6 73 97 A G - 0 0 40 -7,-2.4 2,-0.5 1,-0.2 -1,-0.1 0.111 45.9 -42.2 -87.8-155.1 -7.5 67.7 20.3 74 98 A K - 0 0 180 1,-0.1 -1,-0.2 -9,-0.0 2,-0.1 -0.654 66.3-126.8 -76.3 118.8 -6.3 66.3 23.6 75 99 A E - 0 0 107 -2,-0.5 2,-0.3 -3,-0.1 -10,-0.2 -0.426 18.0-158.5 -66.9 139.7 -2.5 66.9 23.8 76 100 A E E -F 64 0A 56 -12,-2.7 -12,-2.7 -2,-0.1 2,-0.3 -0.818 18.0-175.5-102.1 151.5 -0.3 64.0 24.6 77 101 A K E -F 63 0A 110 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.998 25.2-155.2-147.4 153.6 3.1 64.8 26.0 78 102 A K E -F 62 0A 74 -16,-2.2 -16,-2.2 -2,-0.3 2,-2.2 -0.991 20.0-141.4-123.9 123.9 6.3 63.1 27.0 79 103 A K S S+ 0 0 102 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.319 71.9 95.4 -84.8 60.1 8.3 65.0 29.6 80 104 A S - 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