==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 15-MAY-05 1X5I . COMPND 2 MOLECULE: NEOGENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN . 126 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 2 1.6 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 . 17 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.6 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 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 1 A G 0 0 131 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.8 -26.9 18.0 23.6 2 2 A S - 0 0 103 2,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.876 360.0 -53.6-127.4 99.5 -27.6 19.6 20.2 3 3 A S S S- 0 0 130 -2,-0.5 -1,-0.0 2,-0.0 0, 0.0 0.833 84.1-114.7 38.1 41.6 -28.1 17.2 17.3 4 4 A G - 0 0 57 1,-0.0 2,-0.3 2,-0.0 -2,-0.1 0.058 43.0 -99.6 34.6-137.3 -24.7 15.8 18.3 5 5 A S - 0 0 128 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.957 29.3-159.3-163.6 176.7 -22.1 16.3 15.7 6 6 A S - 0 0 123 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.931 17.5-130.4-156.5 177.0 -20.2 14.8 12.7 7 7 A G - 0 0 65 -2,-0.3 -2,-0.0 2,-0.0 2,-0.0 -0.678 23.0-165.7-144.4 87.1 -17.0 15.1 10.6 8 8 A P + 0 0 126 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.299 11.4 176.2 -69.8 154.3 -17.4 15.0 6.8 9 9 A A + 0 0 97 2,-0.0 2,-0.3 -2,-0.0 -2,-0.0 -0.969 9.7 154.7-161.1 143.8 -14.5 14.5 4.5 10 10 A T + 0 0 137 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.869 8.8 141.0-172.4 136.5 -13.8 14.1 0.8 11 11 A D - 0 0 143 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.966 38.8-109.5-172.4 159.9 -11.0 14.7 -1.7 12 12 A W - 0 0 224 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.667 30.5-174.5-100.0 155.8 -9.2 13.2 -4.7 13 13 A L - 0 0 118 -2,-0.2 2,-0.6 2,-0.1 -2,-0.0 -0.899 28.3-117.3-142.1 170.3 -5.8 11.6 -4.9 14 14 A S + 0 0 127 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.825 69.5 86.8-116.6 92.1 -3.3 10.2 -7.4 15 15 A A S S- 0 0 70 -2,-0.6 -2,-0.1 0, 0.0 0, 0.0 -0.959 73.8 -83.5-175.0 160.1 -2.7 6.5 -6.8 16 16 A E - 0 0 129 -2,-0.3 2,-0.4 1,-0.1 -2,-0.0 0.045 49.8 -98.3 -63.1 179.1 -3.9 3.0 -7.6 17 17 A T - 0 0 123 1,-0.0 3,-0.2 0, 0.0 -1,-0.1 -0.277 55.1-103.0 -97.4 46.9 -6.8 1.3 -5.7 18 18 A F - 0 0 115 -2,-0.4 -1,-0.0 1,-0.2 38,-0.0 0.827 49.8-151.8 34.4 44.7 -4.5 -0.6 -3.4 19 19 A E > - 0 0 108 1,-0.2 3,-0.8 2,-0.1 -1,-0.2 -0.165 12.1-145.3 -46.7 127.8 -5.3 -3.6 -5.6 20 20 A S T 3 S+ 0 0 112 1,-0.2 4,-0.3 -3,-0.2 -1,-0.2 0.710 92.3 77.0 -70.4 -19.9 -5.0 -6.8 -3.5 21 21 A D T 3 S+ 0 0 130 2,-0.1 -1,-0.2 3,-0.0 3,-0.2 0.886 71.0 105.0 -57.1 -40.9 -3.7 -8.6 -6.6 22 22 A L S < S- 0 0 22 -3,-0.8 2,-1.4 1,-0.2 33,-0.2 0.045 93.1 -94.2 -39.8 149.6 -0.3 -6.9 -6.2 23 23 A D B S+a 55 0A 51 31,-1.6 33,-1.5 1,-0.2 -1,-0.2 -0.574 70.6 139.7 -75.1 93.0 2.4 -9.3 -4.8 24 24 A E + 0 0 58 -2,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.105 47.1 87.1-120.8 18.6 2.1 -8.6 -1.1 25 25 A T S S+ 0 0 126 2,-0.1 2,-0.3 -3,-0.0 -1,-0.1 0.553 93.9 36.9 -93.2 -10.7 2.6 -12.2 0.1 26 26 A R S S- 0 0 122 -3,-0.1 78,-0.3 79,-0.0 79,-0.2 -0.898 89.9 -95.3-137.2 165.7 6.4 -11.9 0.1 27 27 A V - 0 0 40 -2,-0.3 2,-0.9 77,-0.2 79,-0.1 -0.565 44.5-101.8 -84.2 145.8 9.1 -9.3 0.9 28 28 A P - 0 0 0 0, 0.0 72,-0.3 0, 0.0 80,-0.2 -0.535 41.8-141.2 -69.7 103.4 10.6 -7.2 -1.8 29 29 A E - 0 0 107 -2,-0.9 78,-0.1 78,-0.2 -3,-0.0 0.022 49.8 -43.8 -57.0 170.9 14.0 -8.8 -2.6 30 30 A V S S- 0 0 47 79,-0.1 -1,-0.2 1,-0.1 69,-0.1 0.022 73.1-110.0 -38.2 138.8 17.1 -6.6 -3.3 31 31 A P - 0 0 7 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.130 33.4 -92.4 -69.7 169.8 16.3 -3.7 -5.6 32 32 A S S S- 0 0 47 16,-0.4 2,-0.3 17,-0.2 -2,-0.1 0.901 92.1 -52.3 -49.4 -46.8 17.5 -3.4 -9.2 33 33 A S E -B 48 0B 67 15,-0.7 15,-1.4 16,-0.0 2,-0.3 -0.966 46.3-121.8-174.9-176.3 20.5 -1.5 -8.0 34 34 A L E -B 47 0B 5 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.890 17.8-167.4-153.6 117.9 21.8 1.5 -6.0 35 35 A H E -B 46 0B 109 11,-2.7 11,-1.7 -2,-0.3 2,-0.4 -0.841 4.9-168.0-108.3 143.7 23.9 4.4 -7.1 36 36 A V E -B 45 0B 10 -2,-0.4 9,-0.2 9,-0.2 77,-0.1 -0.992 9.2-158.4-133.5 138.5 25.6 6.9 -4.8 37 37 A R E -B 44 0B 147 7,-1.9 7,-2.1 -2,-0.4 2,-0.2 -0.923 16.4-142.5-120.7 107.8 27.3 10.3 -5.6 38 38 A P E -B 43 0B 45 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.480 21.6-170.1 -69.7 129.8 29.8 11.6 -3.1 39 39 A L E > -B 42 0B 54 3,-2.6 3,-0.6 -2,-0.2 49,-0.0 -0.882 36.7-100.9-122.4 154.3 29.8 15.3 -2.5 40 40 A V T 3 S- 0 0 38 -2,-0.3 79,-0.2 1,-0.3 51,-0.2 0.870 117.5 -6.0 -31.9 -72.6 32.1 17.7 -0.7 41 41 A T T 3 S+ 0 0 53 49,-0.1 47,-2.0 77,-0.1 -1,-0.3 0.028 137.1 49.6-117.2 24.4 29.9 18.0 2.4 42 42 A S E < -B 39 0B 13 -3,-0.6 -3,-2.6 44,-0.2 2,-0.2 -0.862 62.5-143.6-148.2-179.3 27.0 16.0 1.0 43 43 A I E -BC 38 85B 1 42,-0.6 42,-2.3 -2,-0.3 2,-1.2 -0.781 9.2-148.4-159.7 109.5 26.0 12.7 -0.7 44 44 A V E -BC 37 84B 32 -7,-2.1 -7,-1.9 40,-0.2 2,-1.0 -0.670 17.3-164.6 -82.7 97.7 23.3 12.2 -3.3 45 45 A V E -BC 36 83B 0 38,-3.3 38,-2.5 -2,-1.2 2,-0.5 -0.730 10.5-178.6 -87.6 101.9 22.1 8.6 -2.7 46 46 A S E +BC 35 82B 11 -11,-1.7 -11,-2.7 -2,-1.0 36,-0.2 -0.892 5.2 171.0-106.1 125.2 20.1 7.6 -5.8 47 47 A W E -B 34 0B 4 34,-2.4 -13,-0.2 -2,-0.5 -11,-0.0 -0.634 20.1-136.3-121.6-179.7 18.5 4.2 -5.9 48 48 A T E -B 33 0B 48 -15,-1.4 -15,-0.7 -2,-0.2 -16,-0.4 -0.999 19.4-112.9-144.0 144.2 16.0 2.3 -8.1 49 49 A P - 0 0 55 0, 0.0 -17,-0.2 0, 0.0 2,-0.2 -0.181 48.1 -80.3 -69.7 164.6 13.0 0.0 -7.6 50 50 A P - 0 0 8 0, 0.0 5,-0.1 0, 0.0 -20,-0.0 -0.461 38.0-117.1 -69.8 133.5 12.9 -3.7 -8.4 51 51 A E S S+ 0 0 165 -2,-0.2 2,-0.7 -3,-0.1 0, 0.0 0.833 102.3 81.1 -34.9 -45.7 12.3 -4.6 -12.1 52 52 A N > - 0 0 72 1,-0.1 3,-0.5 2,-0.0 -1,-0.1 -0.558 61.9-173.1 -71.1 109.7 9.1 -6.2 -10.9 53 53 A Q T 3 S+ 0 0 148 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.1 -0.136 71.1 76.5 -95.3 37.4 6.5 -3.4 -10.4 54 54 A N T 3 + 0 0 85 -32,-0.1 -31,-1.6 2,-0.0 2,-0.3 0.619 67.4 94.8-115.7 -26.6 4.0 -5.8 -8.9 55 55 A I B < S-a 23 0A 19 -3,-0.5 2,-0.6 -33,-0.2 -31,-0.2 -0.543 83.1-116.2 -73.1 128.1 5.4 -6.2 -5.4 56 56 A V - 0 0 19 -33,-1.5 2,-0.6 -2,-0.3 48,-0.2 -0.517 34.6-169.8 -68.0 110.1 3.9 -3.8 -2.8 57 57 A V + 0 0 27 -2,-0.6 45,-0.2 1,-0.2 21,-0.1 -0.905 16.1 177.3-108.6 113.2 6.7 -1.6 -1.7 58 58 A R - 0 0 138 -2,-0.6 20,-1.0 43,-0.6 2,-0.3 0.925 62.7 -48.2 -77.0 -47.9 6.0 0.7 1.3 59 59 A G E -D 101 0C 1 42,-1.5 42,-1.9 18,-0.2 -1,-0.3 -0.983 48.8-115.3-173.8 176.4 9.5 2.2 1.6 60 60 A Y E -D 100 0C 12 16,-0.4 16,-1.1 -2,-0.3 2,-0.4 -0.766 20.0-125.8-124.6 170.7 13.2 1.7 1.7 61 61 A A E -DE 99 75C 4 38,-1.6 38,-1.1 -2,-0.2 2,-0.6 -0.959 10.9-158.0-122.6 137.6 16.0 2.3 4.3 62 62 A I E -DE 98 74C 0 12,-2.6 12,-2.4 -2,-0.4 2,-0.5 -0.920 11.6-171.6-117.9 107.8 19.2 4.2 3.8 63 63 A G E +DE 97 73C 3 34,-1.0 34,-2.2 -2,-0.6 2,-0.3 -0.839 10.1 168.8-102.5 132.8 22.1 3.4 6.1 64 64 A Y E + E 0 72C 47 8,-2.0 8,-1.9 5,-0.7 2,-0.2 -0.946 12.2 116.9-138.4 158.5 25.3 5.4 6.2 65 65 A G - 0 0 5 -2,-0.3 30,-1.0 6,-0.2 2,-0.4 -0.524 62.4 -81.9 149.7 142.5 28.4 5.7 8.4 66 66 A I S S+ 0 0 105 1,-0.2 28,-0.1 -2,-0.2 2,-0.1 -0.509 115.2 2.1 -68.2 117.9 32.1 5.3 8.4 67 67 A G S S+ 0 0 69 -2,-0.4 -1,-0.2 26,-0.4 27,-0.1 -0.214 138.5 22.2 100.6 -43.2 33.0 1.6 8.8 68 68 A S > - 0 0 48 -2,-0.1 3,-1.1 1,-0.1 4,-0.2 -0.971 61.8-137.5-159.3 141.1 29.4 0.4 8.9 69 69 A P G > S+ 0 0 9 0, 0.0 3,-0.8 0, 0.0 -5,-0.7 0.735 95.3 81.6 -69.7 -23.3 25.9 1.6 7.7 70 70 A H G 3 S+ 0 0 151 1,-0.2 3,-0.1 -7,-0.2 -5,-0.1 0.791 72.9 81.9 -53.0 -28.6 24.4 0.5 11.0 71 71 A A G < S- 0 0 58 -3,-1.1 2,-0.3 1,-0.1 -1,-0.2 0.922 108.8 -0.4 -41.0 -64.6 25.7 3.8 12.4 72 72 A Q E < -E 64 0C 106 -8,-1.9 -8,-2.0 -3,-0.8 2,-0.4 -0.951 66.0-162.1-132.7 152.1 22.8 5.8 11.1 73 73 A T E -E 63 0C 81 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.994 2.2-160.3-136.8 141.5 19.6 5.0 9.1 74 74 A I E -E 62 0C 29 -12,-2.4 -12,-2.6 -2,-0.4 2,-0.4 -0.981 5.9-161.1-125.7 126.5 17.2 7.1 7.1 75 75 A K E +E 61 0C 121 -2,-0.4 2,-0.2 -14,-0.2 -14,-0.2 -0.869 18.1 163.1-108.0 137.9 13.7 6.1 6.1 76 76 A V - 0 0 26 -16,-1.1 -16,-0.4 -2,-0.4 2,-0.2 -0.745 37.8 -81.1-137.8-175.0 11.7 7.7 3.4 77 77 A D > - 0 0 104 -2,-0.2 3,-1.0 -18,-0.2 -18,-0.2 -0.612 38.3-112.6 -93.9 154.6 8.7 7.2 1.1 78 78 A Y T 3 S+ 0 0 132 -20,-1.0 -19,-0.1 1,-0.3 -1,-0.1 0.924 114.4 65.0 -47.8 -53.3 8.6 5.1 -2.0 79 79 A K T 3 S+ 0 0 159 2,-0.1 -1,-0.3 -3,-0.0 -20,-0.0 0.855 82.7 94.1 -37.5 -47.7 8.1 8.2 -4.2 80 80 A Q < - 0 0 77 -3,-1.0 3,-0.1 1,-0.2 -4,-0.1 -0.262 51.5-179.9 -53.0 127.2 11.5 9.3 -3.1 81 81 A R + 0 0 139 1,-0.3 -34,-2.4 -35,-0.0 2,-0.3 0.754 65.6 7.4-100.0 -33.7 14.1 8.2 -5.7 82 82 A Y E -C 46 0B 121 -36,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.979 62.1-140.5-148.1 157.8 17.2 9.6 -4.0 83 83 A Y E -C 45 0B 89 -38,-2.5 -38,-3.3 -2,-0.3 2,-1.0 -0.983 8.0-148.6-126.8 128.3 18.3 11.2 -0.8 84 84 A T E -C 44 0B 55 -2,-0.4 2,-0.9 -40,-0.3 -40,-0.2 -0.768 14.2-157.3 -97.4 93.6 20.8 14.1 -0.5 85 85 A I E -C 43 0B 7 -42,-2.3 -42,-0.6 -2,-1.0 3,-0.2 -0.590 19.9-177.6 -73.8 104.7 22.6 13.6 2.9 86 86 A E + 0 0 120 -2,-0.9 -44,-0.2 -44,-0.2 -1,-0.0 -0.245 53.7 48.7 -92.9-176.0 23.9 17.1 3.8 87 87 A N S S+ 0 0 148 -46,-0.2 -1,-0.2 1,-0.1 -45,-0.2 0.925 83.2 144.8 48.5 52.7 26.0 18.2 6.8 88 88 A L - 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