==== 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 1X5H . COMPND 2 MOLECULE: NEOGENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.TOCHIO,A.SASAGAWA,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA, . 132 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 43.9 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 . 39 29.5 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 2.3 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 . 14 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.9 0.4 -3.3 -49.5 2 2 A S + 0 0 125 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.975 360.0 179.8-170.6 173.9 -1.6 -1.2 -47.1 3 3 A S - 0 0 123 -2,-0.3 2,-0.2 2,-0.0 0, 0.0 -0.976 6.6-164.2-172.8 174.6 -2.6 -0.6 -43.5 4 4 A G + 0 0 65 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.740 21.6 134.5-178.3 126.4 -4.6 1.4 -41.0 5 5 A S - 0 0 132 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.977 15.7-178.0-169.0 161.6 -4.7 2.1 -37.3 6 6 A S + 0 0 130 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.982 8.5 155.9-164.6 157.1 -5.0 4.8 -34.6 7 7 A G + 0 0 67 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.825 7.0 173.9 175.6 144.2 -5.0 5.3 -30.9 8 8 A D + 0 0 155 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.822 5.5 171.2-165.0 120.4 -4.4 7.9 -28.2 9 9 A V + 0 0 139 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.995 17.3 131.7-137.4 131.0 -4.9 7.8 -24.4 10 10 A A - 0 0 86 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.961 33.8-135.3-162.5 175.1 -3.8 10.2 -21.7 11 11 A V - 0 0 111 -2,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.999 8.8-169.3-145.8 145.0 -4.9 12.2 -18.7 12 12 A R + 0 0 246 -2,-0.3 2,-0.4 2,-0.0 -1,-0.0 -0.295 45.9 126.9-128.1 47.7 -4.4 15.8 -17.4 13 13 A T - 0 0 118 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.871 37.8-161.9-110.1 140.5 -5.7 15.6 -13.9 14 14 A L + 0 0 165 -2,-0.4 2,-0.3 5,-0.0 3,-0.1 -0.892 20.4 142.7-120.9 151.0 -3.8 16.7 -10.7 15 15 A S - 0 0 78 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.977 53.8-106.3-171.4 170.9 -4.3 15.8 -7.1 16 16 A D S S+ 0 0 123 -2,-0.3 84,-0.2 84,-0.1 -1,-0.1 0.939 96.3 72.8 -75.3 -50.3 -2.6 15.1 -3.7 17 17 A V S S- 0 0 57 83,-0.2 86,-0.1 1,-0.1 2,-0.1 -0.337 94.9-100.8 -67.5 147.0 -3.4 11.4 -3.7 18 18 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.394 23.6-163.0 -69.8 143.2 -1.4 9.1 -6.0 19 19 A S + 0 0 100 27,-0.3 2,-0.4 84,-0.1 84,-0.1 -0.107 60.8 91.2-117.6 33.5 -3.1 7.9 -9.2 20 20 A A - 0 0 17 26,-0.1 76,-0.3 84,-0.1 28,-0.1 -0.993 53.1-164.0-133.2 137.2 -0.7 5.0 -10.0 21 21 A A - 0 0 27 -2,-0.4 22,-0.2 82,-0.1 74,-0.1 -0.687 33.9 -81.7-114.5 168.7 -0.9 1.4 -9.0 22 22 A P - 0 0 8 0, 0.0 3,-0.2 0, 0.0 2,-0.2 -0.379 43.6-151.6 -69.7 145.2 1.6 -1.5 -9.0 23 23 A Q E +A 40 0A 81 17,-1.3 17,-3.1 1,-0.2 3,-0.1 -0.498 68.5 46.0-109.3-179.7 2.3 -3.4 -12.2 24 24 A N E S- 0 0 128 15,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.854 76.7-173.9 53.9 36.9 3.4 -7.0 -13.1 25 25 A L E + 0 0 41 -3,-0.2 2,-0.3 14,-0.1 14,-0.2 -0.400 8.5 168.0 -65.3 134.9 0.8 -8.2 -10.6 26 26 A S E -A 38 0A 48 12,-2.5 12,-3.1 -3,-0.1 2,-0.4 -0.983 30.7-146.4-148.0 156.6 0.9 -12.0 -10.0 27 27 A L E -A 37 0A 28 -2,-0.3 2,-1.4 10,-0.2 10,-0.2 -0.845 9.3-166.9-130.5 96.3 -0.5 -14.6 -7.6 28 28 A E E -A 36 0A 73 8,-1.3 8,-1.8 -2,-0.4 2,-0.3 -0.653 21.7-140.8 -84.8 89.8 1.8 -17.5 -6.9 29 29 A V + 0 0 26 -2,-1.4 6,-0.2 6,-0.2 3,-0.1 -0.312 23.8 179.7 -53.7 111.2 -0.6 -20.0 -5.2 30 30 A R - 0 0 131 -2,-0.3 2,-0.3 1,-0.2 5,-0.2 0.920 62.8 -8.0 -81.1 -48.8 1.4 -21.5 -2.4 31 31 A N S S- 0 0 80 3,-1.5 -1,-0.2 86,-0.1 83,-0.1 -0.851 73.6 -96.8-141.3 176.0 -1.2 -23.8 -0.9 32 32 A S S S+ 0 0 29 -2,-0.3 81,-0.1 1,-0.2 3,-0.1 0.506 128.9 34.3 -74.7 -3.2 -5.0 -24.6 -1.2 33 33 A K S S+ 0 0 105 1,-0.1 51,-1.8 50,-0.1 50,-0.8 0.492 120.1 50.3-123.8 -15.6 -5.4 -22.4 1.8 34 34 A S E - B 0 82A 0 48,-0.2 -3,-1.5 49,-0.2 2,-0.3 -0.875 59.0-165.0-125.9 158.7 -2.8 -19.7 1.1 35 35 A I E - B 0 81A 0 46,-1.5 46,-2.5 -2,-0.3 2,-0.3 -0.956 15.1-137.8-148.3 125.3 -1.8 -17.6 -1.8 36 36 A M E -AB 28 80A 27 -8,-1.8 -8,-1.3 -2,-0.3 2,-0.5 -0.648 16.7-151.4 -84.2 135.0 1.4 -15.6 -2.5 37 37 A I E -AB 27 79A 0 42,-2.5 42,-1.5 -2,-0.3 2,-0.5 -0.927 11.8-174.7-111.6 123.9 1.0 -12.1 -4.0 38 38 A H E +AB 26 78A 70 -12,-3.1 -12,-2.5 -2,-0.5 2,-0.3 -0.955 14.1 159.3-121.4 115.6 3.7 -10.6 -6.2 39 39 A W E - 0 0 0 38,-1.5 -15,-0.2 -2,-0.5 -14,-0.1 -0.945 28.3-134.6-133.8 154.5 3.4 -7.1 -7.4 40 40 A Q E -A 23 0A 63 -17,-3.1 -17,-1.3 -2,-0.3 -15,-0.1 -0.814 28.8-103.3-110.6 149.9 5.9 -4.4 -8.7 41 41 A P - 0 0 56 0, 0.0 -20,-0.1 0, 0.0 -18,-0.1 -0.357 39.7-109.1 -69.7 146.7 6.1 -0.7 -7.8 42 42 A P - 0 0 10 0, 0.0 -22,-0.0 0, 0.0 5,-0.0 -0.145 49.6 -68.3 -69.8 168.5 4.7 1.9 -10.2 43 43 A A > - 0 0 42 -22,-0.2 4,-1.7 1,-0.1 -23,-0.0 -0.135 39.1-127.2 -56.6 153.0 6.8 4.3 -12.2 44 44 A P T 4 S+ 0 0 104 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.905 106.1 58.7 -69.8 -43.7 8.8 7.1 -10.3 45 45 A A T 4 S+ 0 0 95 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.894 111.2 42.5 -53.3 -43.5 7.4 10.0 -12.4 46 46 A T T 4 S+ 0 0 64 2,-0.1 -27,-0.3 -28,-0.0 -1,-0.2 0.892 86.9 105.1 -71.3 -41.1 3.9 9.0 -11.4 47 47 A Q < - 0 0 73 -4,-1.7 2,-0.3 1,-0.2 3,-0.1 -0.193 55.8-164.7 -45.6 103.9 4.8 8.4 -7.8 48 48 A N - 0 0 76 -2,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.104 66.5 -22.7 -86.8 37.3 3.3 11.5 -6.2 49 49 A G S S- 0 0 32 -2,-0.3 -1,-0.1 -5,-0.2 2,-0.1 -0.688 94.0 -47.0 141.3 165.6 5.3 10.8 -3.0 50 50 A Q - 0 0 153 -2,-0.2 49,-0.7 1,-0.1 2,-0.3 -0.390 59.0-118.0 -66.2 138.8 7.1 8.1 -1.0 51 51 A I E -C 98 0B 42 47,-0.2 47,-0.2 1,-0.1 23,-0.1 -0.592 27.4-178.0 -81.0 137.7 5.2 4.9 -0.5 52 52 A T E - 0 0 82 45,-2.7 22,-0.8 1,-0.4 2,-0.3 0.677 62.4 -41.9-104.7 -26.6 4.3 3.9 3.0 53 53 A G E -C 97 0B 1 44,-1.2 44,-2.1 21,-0.2 -1,-0.4 -0.965 52.9-102.4 174.2 172.8 2.5 0.6 2.3 54 54 A Y E -C 96 0B 3 19,-0.3 18,-2.2 -2,-0.3 2,-0.7 -0.888 19.0-137.7-119.9 150.3 0.1 -1.4 0.1 55 55 A K B -E 71 0C 52 40,-2.4 2,-0.8 -2,-0.3 40,-0.4 -0.870 17.6-167.3-110.5 100.8 -3.5 -2.4 0.7 56 56 A I + 0 0 0 14,-2.8 2,-0.4 -2,-0.7 38,-0.2 -0.780 13.7 175.3 -91.2 110.6 -4.2 -6.0 -0.5 57 57 A R E +F 93 0D 96 36,-1.9 36,-1.5 -2,-0.8 2,-0.3 -0.901 3.6 174.2-117.5 145.3 -7.9 -6.7 -0.6 58 58 A Y E -FG 92 68D 32 10,-0.8 10,-1.9 -2,-0.4 2,-0.2 -0.980 6.5-171.3-146.7 156.6 -9.7 -9.8 -1.9 59 59 A R E -FG 91 67D 56 32,-1.6 32,-2.1 -2,-0.3 2,-0.5 -0.826 31.8 -91.6-139.6 177.6 -13.2 -11.2 -2.0 60 60 A K E > -FG 90 63D 97 3,-1.7 3,-0.8 6,-0.7 30,-0.2 -0.835 24.9-132.4-100.1 130.0 -15.1 -14.4 -2.9 61 61 A A T 3 S+ 0 0 38 28,-1.0 3,-0.2 -2,-0.5 -1,-0.1 0.740 115.1 43.2 -48.2 -23.3 -16.3 -15.0 -6.4 62 62 A S T 3 S+ 0 0 111 27,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.736 123.1 36.1 -94.2 -28.5 -19.6 -15.9 -4.7 63 63 A R E < +G 60 0D 147 -3,-0.8 -3,-1.7 1,-0.1 -1,-0.2 -0.787 58.0 164.0-130.1 89.3 -19.5 -13.1 -2.2 64 64 A K E S+ 0 0 109 -2,-0.4 -1,-0.1 -3,-0.2 -3,-0.1 0.853 76.9 63.8 -71.1 -35.6 -18.1 -9.8 -3.6 65 65 A S E S+ 0 0 105 1,-0.1 2,-0.8 -5,-0.1 -1,-0.2 0.847 89.1 78.9 -56.9 -35.1 -19.6 -7.8 -0.8 66 66 A D E + 0 0 108 -3,-0.2 -6,-0.7 -6,-0.2 2,-0.3 -0.678 65.5 166.5 -81.1 108.7 -17.3 -9.7 1.6 67 67 A V E -G 59 0D 54 -2,-0.8 2,-0.4 -8,-0.2 -8,-0.2 -0.918 27.5-139.8-125.1 151.0 -13.8 -8.2 1.4 68 68 A T E -G 58 0D 60 -10,-1.9 -10,-0.8 -2,-0.3 2,-0.4 -0.926 13.2-140.8-113.7 132.3 -10.7 -8.6 3.5 69 69 A E + 0 0 86 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.737 22.4 175.0 -92.8 136.0 -8.4 -5.7 4.3 70 70 A T - 0 0 22 -2,-0.4 -14,-2.8 -14,-0.1 2,-0.5 -0.926 9.6-169.0-145.3 116.6 -4.6 -6.2 4.4 71 71 A L B -E 55 0C 97 -2,-0.3 -16,-0.2 -16,-0.2 2,-0.2 -0.912 11.5-179.3-109.6 127.6 -2.0 -3.6 4.9 72 72 A V - 0 0 16 -18,-2.2 -18,-0.2 -2,-0.5 7,-0.1 -0.501 34.0 -76.0-112.9-176.7 1.7 -4.3 4.3 73 73 A S > - 0 0 69 -20,-0.2 3,-1.0 -2,-0.2 -19,-0.3 -0.320 36.9-117.9 -78.0 163.4 5.0 -2.4 4.6 74 74 A G T 3 S+ 0 0 20 -22,-0.8 -21,-0.2 1,-0.2 -22,-0.1 0.927 115.7 45.8 -67.3 -46.1 6.2 0.2 2.1 75 75 A T T 3 S+ 0 0 141 -23,-0.2 2,-0.6 2,-0.0 -1,-0.2 0.180 92.6 108.9 -83.0 18.7 9.3 -1.7 1.0 76 76 A Q < + 0 0 58 -3,-1.0 -4,-0.1 1,-0.1 -22,-0.1 -0.871 34.9 167.9-102.2 116.5 7.1 -4.9 0.8 77 77 A L + 0 0 65 -2,-0.6 -38,-1.5 1,-0.1 2,-0.3 0.090 65.9 53.2-111.0 20.3 6.5 -6.1 -2.7 78 78 A S E -B 38 0A 51 -40,-0.2 2,-0.3 2,-0.0 -40,-0.2 -0.971 56.8-179.5-156.8 138.7 5.1 -9.5 -1.6 79 79 A Q E -B 37 0A 43 -42,-1.5 -42,-2.5 -2,-0.3 2,-0.6 -1.000 19.1-141.7-143.5 139.2 2.4 -10.7 0.8 80 80 A L E -B 36 0A 48 -2,-0.3 2,-0.8 -44,-0.2 -44,-0.2 -0.890 12.8-162.0-105.2 115.2 1.1 -14.2 1.8 81 81 A I E -B 35 0A 5 -46,-2.5 -46,-1.5 -2,-0.6 2,-0.2 -0.834 15.7-179.7 -99.7 104.9 -2.6 -14.5 2.3 82 82 A E E +B 34 0A 118 -2,-0.8 -48,-0.2 -48,-0.3 -2,-0.0 -0.624 46.1 70.0-100.9 161.2 -3.5 -17.6 4.3 83 83 A G + 0 0 58 -50,-0.8 2,-0.2 -2,-0.2 -49,-0.2 0.838 65.7 133.3 100.6 46.2 -6.9 -18.9 5.4 84 84 A L - 0 0 14 -51,-1.8 2,-0.3 -3,-0.1 -1,-0.2 -0.701 48.6-117.4-120.4 173.3 -8.5 -20.0 2.1 85 85 A D - 0 0 91 -2,-0.2 3,-0.4 1,-0.1 28,-0.3 -0.819 29.2-106.5-113.4 153.3 -10.4 -23.1 0.9 86 86 A R S S+ 0 0 169 -2,-0.3 29,-0.2 1,-0.2 28,-0.1 -0.282 97.7 20.4 -72.6 160.7 -9.5 -25.7 -1.8 87 87 A G S S+ 0 0 39 1,-0.2 2,-0.3 26,-0.1 -1,-0.2 0.915 98.6 120.3 44.5 55.8 -11.3 -25.7 -5.1 88 88 A T - 0 0 48 -3,-0.4 25,-1.6 -56,-0.1 2,-0.2 -0.972 60.0-128.1-151.9 133.2 -12.4 -22.2 -4.8 89 89 A E E - H 0 112D 83 -2,-0.3 -28,-1.0 23,-0.2 2,-0.4 -0.559 26.8-174.9 -81.7 143.5 -11.9 -19.0 -6.8 90 90 A Y E -FH 60 111D 9 21,-1.7 21,-2.7 -2,-0.2 2,-0.5 -0.997 17.7-139.7-142.9 135.4 -10.7 -15.8 -5.1 91 91 A N E -FH 59 110D 17 -32,-2.1 -32,-1.6 -2,-0.4 2,-0.3 -0.810 22.2-173.5 -97.6 130.8 -10.2 -12.3 -6.3 92 92 A F E -FH 58 109D 1 17,-2.4 17,-1.6 -2,-0.5 2,-0.3 -0.895 5.6-179.1-123.3 152.9 -7.2 -10.3 -5.2 93 93 A R E -F 57 0D 35 -36,-1.5 -36,-1.9 -2,-0.3 2,-0.4 -0.990 12.3-151.5-152.4 141.5 -6.1 -6.7 -5.7 94 94 A V - 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