==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 19-DEC-03 1UUH . COMPND 2 MOLECULE: CD44 ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.TERIETE,S.BANERJI,M.NOBLE,C.BLUNDELL,A.WRIGHT,A.PICKFORD, . 300 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 26.0 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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-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 . 36 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 0 0 0 1 1 2 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 2 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 0 PARALLEL BRIDGES PER LADDER . 9 2 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 1 1 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 20 A A 0 0 105 0, 0.0 124,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 154.6 11.8 8.7 29.9 2 21 A Q E -a 125 0A 114 122,-0.2 2,-0.4 124,-0.0 124,-0.2 -0.995 360.0-168.6-142.7 133.5 11.7 7.2 26.4 3 22 A I E -a 126 0A 7 122,-2.8 124,-2.8 -2,-0.4 2,-0.5 -0.987 8.1-163.7-124.5 123.6 9.0 6.1 23.9 4 23 A D E -a 127 0A 26 -2,-0.4 16,-3.3 122,-0.2 2,-0.5 -0.918 5.4-166.2-106.6 129.0 9.8 4.0 20.7 5 24 A L E -aB 128 19A 0 122,-3.3 124,-3.1 -2,-0.5 2,-0.6 -0.950 6.6-163.1-118.6 119.6 7.3 3.9 17.9 6 25 A N E -aB 129 18A 61 12,-2.6 12,-2.2 -2,-0.5 2,-0.3 -0.906 19.7-167.8 -98.2 120.5 7.5 1.4 15.1 7 26 A I E - B 0 17A 13 122,-2.6 10,-0.2 -2,-0.6 2,-0.2 -0.835 12.3-139.1-115.7 153.9 5.3 2.4 12.2 8 27 A T - 0 0 37 8,-1.5 3,-0.0 -2,-0.3 2,-0.0 -0.528 33.9 -92.5 -96.7 158.6 4.1 0.7 9.1 9 28 A a - 0 0 12 -2,-0.2 2,-0.4 1,-0.1 7,-0.3 -0.338 53.7-100.6 -56.7 157.1 3.7 2.1 5.5 10 29 A R E -C 109 0A 18 99,-2.8 99,-2.4 5,-0.1 2,-0.6 -0.756 30.0-163.6 -89.3 135.7 0.2 3.5 4.9 11 30 A F E > S-CD 108 14A 14 3,-3.0 3,-1.9 -2,-0.4 97,-0.2 -0.943 81.6 -27.5-118.1 107.1 -2.3 1.4 3.0 12 31 A A T 3 S- 0 0 7 95,-1.9 -1,-0.2 -2,-0.6 38,-0.2 0.924 129.7 -46.8 47.6 48.2 -5.1 3.7 1.8 13 32 A G T 3 S+ 0 0 0 92,-0.6 88,-2.6 94,-0.5 2,-0.3 0.119 115.9 118.4 88.1 -19.7 -4.4 5.9 4.7 14 33 A V E < +DE 11 100A 0 -3,-1.9 -3,-3.0 86,-0.2 2,-0.3 -0.641 33.6 164.4 -91.1 133.1 -4.2 3.1 7.3 15 34 A F E - E 0 99A 5 84,-2.4 84,-2.3 -2,-0.3 2,-0.4 -0.964 29.8-124.9-142.3 161.2 -1.0 2.3 9.3 16 35 A H E - E 0 98A 15 -7,-0.3 -8,-1.5 -2,-0.3 2,-0.4 -0.850 18.9-164.6-107.4 138.7 -0.0 0.3 12.4 17 36 A V E -BE 7 97A 0 80,-2.8 80,-2.2 -2,-0.4 2,-0.4 -0.995 2.5-170.1-127.2 127.4 1.9 1.7 15.4 18 37 A E E -B 6 0A 40 -12,-2.2 -12,-2.6 -2,-0.4 2,-0.5 -0.961 13.6-145.4-115.0 133.7 3.6 -0.4 18.0 19 38 A K E > S-BF 5 22A 17 3,-0.5 3,-1.5 -2,-0.4 -14,-0.2 -0.875 72.1 -17.6-102.4 124.1 5.0 1.3 21.2 20 39 A N T 3 S- 0 0 68 -16,-3.3 -1,-0.2 -2,-0.5 -15,-0.1 0.767 113.1 -69.1 59.4 30.6 8.2 0.0 22.8 21 40 A G T 3 S+ 0 0 52 -17,-0.3 2,-0.3 -3,-0.2 -1,-0.3 0.676 116.0 58.8 66.6 18.1 8.3 -3.4 21.1 22 41 A R B < S-F 19 0A 166 -3,-1.5 2,-0.7 73,-0.1 -3,-0.5 -0.966 100.8 -66.8-160.6 173.8 5.2 -4.8 23.0 23 42 A Y S S+ 0 0 71 -2,-0.3 73,-0.2 1,-0.2 71,-0.2 -0.624 71.0 131.2 -69.0 110.6 1.5 -4.3 23.7 24 43 A S + 0 0 20 71,-1.1 2,-0.5 -2,-0.7 -1,-0.2 0.186 32.2 104.5-152.3 18.9 1.5 -1.1 25.8 25 44 A I B -L 95 0B 0 70,-2.4 70,-2.8 -6,-0.1 2,-0.2 -0.926 47.1-159.9-113.6 129.2 -1.2 1.2 24.3 26 45 A S > - 0 0 20 -2,-0.5 4,-2.4 68,-0.2 5,-0.1 -0.533 38.8-100.8 -90.4 168.9 -4.6 1.9 25.9 27 46 A R H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.870 123.7 51.5 -58.9 -38.3 -7.5 3.2 23.9 28 47 A T H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 112.6 43.9 -66.5 -42.0 -6.9 6.7 25.4 29 48 A E H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.824 110.0 57.8 -72.7 -30.7 -3.3 6.7 24.4 30 49 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.953 107.3 46.7 -59.7 -49.6 -4.2 5.2 21.0 31 50 A A H X S+ 0 0 46 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.908 113.7 49.2 -61.1 -42.5 -6.5 8.2 20.3 32 51 A D H X S+ 0 0 23 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.891 110.8 50.5 -58.7 -44.8 -3.7 10.6 21.5 33 52 A L H X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.926 109.9 47.9 -65.1 -47.0 -1.2 8.8 19.2 34 53 A b H ><>S+ 0 0 2 -4,-2.6 5,-2.7 1,-0.2 3,-0.8 0.927 112.1 50.8 -59.6 -44.1 -3.3 9.0 16.1 35 54 A K H ><5S+ 0 0 142 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.881 105.9 55.3 -59.6 -40.8 -4.0 12.7 16.8 36 55 A A H 3<5S+ 0 0 3 -4,-2.2 82,-2.4 1,-0.3 -1,-0.3 0.731 108.0 50.3 -62.6 -23.3 -0.2 13.2 17.2 37 56 A F T <<5S- 0 0 8 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.156 120.1-111.5 -96.4 17.0 0.1 11.7 13.7 38 57 A N T < 5S+ 0 0 99 -3,-1.9 64,-0.3 1,-0.2 -3,-0.2 0.874 86.5 110.6 50.9 40.8 -2.6 14.1 12.3 39 58 A S < - 0 0 11 -5,-2.7 2,-0.3 62,-0.1 62,-0.2 -0.732 59.3-132.6-135.8 176.5 -4.7 10.9 12.0 40 59 A T B -G 100 0A 80 60,-2.4 60,-2.8 -2,-0.2 3,-0.1 -0.863 36.7 -85.2-131.5 165.3 -7.7 9.2 13.5 41 60 A L - 0 0 30 -2,-0.3 58,-0.2 58,-0.2 22,-0.2 -0.614 59.4-112.8 -68.6 126.9 -8.7 5.7 14.7 42 61 A P - 0 0 0 0, 0.0 22,-3.1 0, 0.0 2,-0.2 -0.186 20.4-131.3 -63.4 150.8 -9.8 3.8 11.6 43 62 A T > - 0 0 45 20,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.572 31.2-104.9 -86.9 164.9 -13.3 2.6 11.0 44 63 A X H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.865 123.5 54.5 -54.0 -39.6 -14.1 -1.0 10.0 45 64 A A H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.879 106.9 49.7 -64.4 -40.9 -14.6 0.3 6.4 46 65 A Q H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.893 109.9 51.5 -64.3 -39.3 -11.2 2.0 6.3 47 66 A X H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.897 107.6 52.1 -63.9 -42.6 -9.6 -1.2 7.5 48 67 A E H X S+ 0 0 57 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.865 107.9 52.1 -63.4 -36.7 -11.3 -3.3 4.8 49 68 A K H < S+ 0 0 63 -4,-1.6 4,-0.4 2,-0.2 -1,-0.2 0.918 111.5 45.9 -66.4 -42.9 -10.0 -0.9 2.1 50 69 A A H ><>S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 5,-1.5 0.926 108.6 56.8 -63.2 -45.6 -6.4 -1.2 3.4 51 70 A L H ><5S+ 0 0 24 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.857 97.7 63.0 -49.5 -42.0 -6.7 -5.0 3.6 52 71 A S T 3<5S+ 0 0 16 -4,-1.5 178,-0.6 1,-0.3 -1,-0.3 0.604 104.4 47.1 -67.7 -14.8 -7.6 -5.1 -0.1 53 72 A I T < 5S- 0 0 0 -3,-1.8 188,-0.4 -4,-0.4 -1,-0.3 0.010 134.4 -80.8-116.4 25.8 -4.2 -3.7 -1.0 54 73 A G T < 5S+ 0 0 10 -3,-2.0 2,-0.7 1,-0.3 -3,-0.2 0.619 74.1 150.9 99.9 14.5 -2.2 -6.1 1.2 55 74 A F < + 0 0 4 -5,-1.5 2,-0.3 -8,-0.1 -1,-0.3 -0.727 18.3 143.3 -83.5 111.6 -2.4 -4.6 4.7 56 75 A E + 0 0 54 -2,-0.7 2,-0.3 15,-0.1 15,-0.2 -0.985 19.2 175.1-146.5 152.4 -2.1 -7.4 7.3 57 76 A T - 0 0 21 13,-1.9 15,-0.1 -2,-0.3 12,-0.0 -0.791 33.6-134.9-138.0 175.9 -0.5 -7.7 10.7 58 77 A c S S+ 0 0 49 -2,-0.3 2,-0.4 2,-0.1 21,-0.1 -0.068 78.3 92.8-122.3 29.5 -0.3 -10.3 13.4 59 78 A R S S- 0 0 61 11,-0.1 2,-0.1 19,-0.1 9,-0.1 -0.982 74.7-121.6-131.7 130.7 -0.9 -7.8 16.2 60 79 A Y + 0 0 40 -2,-0.4 36,-2.4 9,-0.1 2,-0.3 -0.438 39.4 172.6 -63.6 136.4 -4.0 -6.6 18.0 61 80 A G E -Hi 68 96A 0 7,-1.9 7,-2.6 34,-0.2 36,-0.3 -0.996 32.5-103.7-150.8 144.4 -4.6 -2.8 17.6 62 81 A F E +Hi 67 97A 4 34,-1.7 36,-2.1 -2,-0.3 2,-0.3 -0.355 36.4 168.9 -63.7 139.6 -7.3 -0.3 18.5 63 82 A I E > -H 66 0A 0 3,-2.5 3,-0.8 -22,-0.2 2,-0.4 -0.703 59.8 -51.6-125.1-172.3 -9.6 1.1 15.8 64 83 A E T 3 S- 0 0 121 -22,-3.1 -20,-0.2 -2,-0.3 3,-0.1 -0.515 124.4 -15.3 -62.8 117.7 -12.7 3.1 16.4 65 84 A G T 3 S+ 0 0 53 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.460 129.2 60.5 68.1 3.5 -14.8 1.1 18.9 66 85 A H E < -H 63 0A 64 -3,-0.8 -3,-2.5 2,-0.0 2,-0.4 -0.908 68.6-129.9-146.7 175.1 -12.9 -2.2 18.4 67 86 A V E +H 62 0A 0 21,-0.4 21,-2.7 -2,-0.3 2,-0.3 -0.994 44.4 165.3-129.5 127.0 -9.5 -4.0 18.7 68 87 A V E -HJ 61 87A 0 -7,-2.6 -7,-1.9 -2,-0.4 19,-0.2 -0.837 38.7-145.9-140.0 167.2 -8.6 -5.9 15.5 69 88 A I E - J 0 86A 2 17,-1.5 17,-2.2 -2,-0.3 2,-0.4 -0.964 24.8-139.8-132.1 123.6 -6.0 -7.7 13.4 70 89 A P E - J 0 85A 0 0, 0.0 -13,-1.9 0, 0.0 2,-0.4 -0.714 25.9-172.0 -80.9 130.6 -6.3 -7.4 9.6 71 90 A R E + J 0 84A 21 13,-2.5 13,-3.4 -2,-0.4 -15,-0.1 -0.989 29.0 163.6-132.0 124.8 -5.6 -10.8 7.9 72 91 A I S S+ 0 0 22 -2,-0.4 102,-0.2 1,-0.3 -1,-0.1 0.780 79.3 40.0 -98.0 -43.1 -5.2 -11.7 4.2 73 92 A H S S- 0 0 14 100,-0.1 -1,-0.3 11,-0.1 2,-0.1 -0.917 89.3-117.1-111.6 131.3 -3.5 -15.1 4.7 74 93 A P + 0 0 39 0, 0.0 2,-0.3 0, 0.0 9,-0.1 -0.443 35.7 173.2 -62.7 129.3 -4.6 -17.6 7.5 75 94 A N B > -M 78 0C 74 3,-0.6 3,-2.0 7,-0.3 6,-1.0 -0.973 31.6-142.2-134.1 132.7 -1.9 -18.3 10.0 76 95 A S T 3 S+ 0 0 102 -2,-0.3 4,-0.2 1,-0.3 6,-0.1 0.745 104.2 57.0 -65.2 -20.7 -2.7 -20.4 13.1 77 96 A I T 3 S+ 0 0 141 3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.533 103.7 66.2 -83.1 -6.8 -0.4 -18.2 15.2 78 97 A c B X S-M 75 0C 7 -3,-2.0 3,-1.6 1,-0.1 -3,-0.6 -0.968 116.9 -23.5-127.9 124.3 -2.5 -15.1 14.1 79 98 A A G > S- 0 0 6 -2,-0.4 3,-2.3 1,-0.3 -1,-0.1 0.837 115.7 -62.1 50.4 41.1 -6.1 -14.2 14.9 80 99 A A G 3 S- 0 0 71 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.2 0.819 95.0 -62.3 60.6 30.8 -7.2 -17.8 15.5 81 100 A N G < S+ 0 0 82 -3,-1.6 -1,-0.3 -6,-1.0 -2,-0.2 0.534 101.2 146.6 71.9 7.2 -6.3 -18.7 11.9 82 101 A N < - 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