==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 30-MAY-13 4BQB . COMPND 2 MOLECULE: NEOGENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.H.BELL,E.HEALEY,S.VAN ERP,B.BISHOP,C.TANG,R.J.C.GILBERT, . 792 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 53.7 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 . 304 38.4 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 . 33 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 0 4 4 16 8 8 0 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 8 0 8 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 1 884 A P 0 0 152 0, 0.0 82,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 130.6 -25.8 -19.1 27.3 2 885 A M - 0 0 10 80,-1.6 82,-0.5 74,-0.2 74,-0.1 -0.445 360.0-104.9 -76.0 150.4 -23.6 -16.8 29.5 3 886 A M - 0 0 96 80,-0.1 23,-0.3 -2,-0.1 80,-0.1 -0.628 38.6-122.8 -75.1 125.3 -24.3 -13.1 29.8 4 887 A P - 0 0 39 0, 0.0 21,-0.3 0, 0.0 71,-0.1 -0.345 35.8 -89.9 -68.4 152.1 -21.8 -11.1 27.7 5 888 A P - 0 0 3 0, 0.0 82,-0.5 0, 0.0 2,-0.2 -0.135 44.7-156.9 -57.7 156.8 -19.7 -8.4 29.5 6 889 A V E +A 23 0A 55 17,-2.5 17,-2.8 1,-0.1 80,-0.1 -0.784 60.6 40.8-127.4 173.7 -21.0 -4.8 29.8 7 890 A G E - 0 0 48 -2,-0.2 2,-0.3 15,-0.2 -1,-0.1 0.828 69.6-175.8 53.9 40.5 -19.6 -1.3 30.2 8 891 A V E + 0 0 6 -3,-0.1 2,-0.3 14,-0.1 14,-0.2 -0.528 5.5 177.1 -68.9 124.3 -16.6 -1.9 28.0 9 892 A Q E -A 21 0A 113 12,-2.8 12,-2.2 -2,-0.3 2,-0.4 -0.951 24.1-143.5-132.5 154.0 -14.2 1.1 27.9 10 893 A A E -A 20 0A 33 -2,-0.3 2,-0.5 80,-0.3 10,-0.2 -0.942 10.3-166.8-116.3 132.0 -10.9 2.0 26.4 11 894 A S E -A 19 0A 55 8,-2.0 8,-3.0 -2,-0.4 2,-0.5 -0.994 18.7-137.4-119.9 118.0 -8.3 4.1 28.2 12 895 A I E +A 18 0A 38 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.669 31.9 163.4 -80.9 124.2 -5.4 5.4 26.0 13 896 A L - 0 0 6 4,-2.5 2,-0.2 -2,-0.5 5,-0.2 0.759 59.7 -20.3-109.7 -38.7 -2.0 5.1 27.7 14 897 A S S S- 0 0 8 3,-1.9 80,-1.8 567,-0.2 -1,-0.3 -0.798 78.6 -75.6-151.7-167.0 0.6 5.5 25.0 15 898 A H S S+ 0 0 53 78,-0.3 78,-0.2 -2,-0.2 53,-0.1 0.546 134.3 25.7 -76.2 -11.0 1.2 5.3 21.2 16 899 A D S S+ 0 0 52 1,-0.1 48,-2.3 50,-0.1 2,-0.4 0.375 111.8 76.9-133.5 0.2 1.1 1.4 21.7 17 900 A T + 0 0 15 45,-0.2 -4,-2.5 46,-0.2 -3,-1.9 -0.974 40.7 168.1-128.7 131.0 -1.0 0.8 24.8 18 901 A I E -AB 12 61A 0 43,-2.1 43,-2.7 -2,-0.4 2,-0.5 -0.999 25.0-141.8-132.5 127.4 -4.8 0.9 25.5 19 902 A R E -AB 11 60A 38 -8,-3.0 -8,-2.0 -2,-0.4 2,-0.4 -0.814 15.2-155.8 -89.6 127.5 -6.3 -0.4 28.8 20 903 A I E -AB 10 59A 0 39,-3.4 39,-2.3 -2,-0.5 2,-0.3 -0.864 13.7-178.9-103.4 131.5 -9.7 -2.2 28.3 21 904 A T E +AB 9 58A 40 -12,-2.2 -12,-2.8 -2,-0.4 2,-0.3 -0.948 6.5 160.4-128.2 151.9 -12.1 -2.4 31.2 22 905 A W E - 0 0 12 35,-1.7 2,-0.3 -2,-0.3 -15,-0.2 -0.913 30.6-119.9-155.7 176.1 -15.5 -4.1 31.5 23 906 A A E -A 6 0A 40 -17,-2.8 -17,-2.5 -2,-0.3 2,-0.5 -0.900 15.2-146.2-122.8 148.3 -18.1 -5.4 34.0 24 907 A D > - 0 0 10 -2,-0.3 3,-1.0 -19,-0.2 33,-0.0 -0.985 3.7-164.5-120.6 113.8 -19.5 -9.0 34.3 25 908 A N T 3 S+ 0 0 89 -2,-0.5 -1,-0.1 -21,-0.3 0, 0.0 0.831 85.0 70.4 -67.7 -30.1 -23.1 -9.2 35.3 26 909 A S T 3 S+ 0 0 51 -23,-0.3 -1,-0.2 2,-0.0 -24,-0.0 0.214 88.8 83.4 -70.8 13.5 -22.8 -12.9 36.2 27 910 A L < 0 0 50 -3,-1.0 -3,-0.0 1,-0.0 -4,-0.0 -0.910 360.0 360.0-115.1 144.9 -20.7 -11.8 39.2 28 911 A P 0 0 176 0, 0.0 -4,-0.1 0, 0.0 -1,-0.0 -0.225 360.0 360.0 -76.6 360.0 -22.2 -10.6 42.6 29 ! 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 30 917 A T 0 0 188 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.8 -13.8 -16.5 42.6 31 918 A D - 0 0 67 1,-0.0 47,-0.0 0, 0.0 0, 0.0 -0.195 360.0 -82.6-100.5-170.4 -14.4 -19.3 40.0 32 919 A S S S+ 0 0 90 -2,-0.1 47,-0.3 2,-0.0 45,-0.0 0.280 79.5 129.5 -78.7 5.7 -12.7 -20.8 36.9 33 920 A R - 0 0 33 45,-0.2 2,-0.3 22,-0.1 45,-0.2 -0.284 34.6-173.3 -66.6 151.0 -14.1 -18.2 34.5 34 921 A Y E -C 77 0B 90 43,-2.6 43,-2.3 2,-0.0 2,-0.3 -0.981 15.4-134.5-142.0 150.4 -11.8 -16.3 32.1 35 922 A Y E -CD 76 54B 6 19,-3.0 19,-2.8 -2,-0.3 2,-0.5 -0.800 8.4-149.5-106.0 147.7 -12.4 -13.4 29.7 36 923 A T E -CD 75 53B 13 39,-1.9 39,-1.4 -2,-0.3 2,-0.4 -0.985 9.8-161.1-119.7 119.8 -11.2 -13.1 26.1 37 924 A V E -CD 74 52B 0 15,-3.2 15,-2.6 -2,-0.5 2,-0.4 -0.865 9.8-170.8 -98.5 135.0 -10.4 -9.6 24.8 38 925 A R E +CD 73 51B 48 35,-2.8 35,-1.8 -2,-0.4 2,-0.3 -0.966 6.8 174.0-128.5 146.7 -10.3 -9.2 21.0 39 926 A W E +CD 72 50B 26 11,-2.5 11,-2.9 -2,-0.4 2,-0.3 -0.994 7.8 168.4-151.0 152.3 -9.1 -6.2 18.9 40 927 A K E -C 71 0B 38 31,-1.2 31,-2.4 -2,-0.3 2,-0.2 -0.955 43.9 -92.6-156.1 153.4 -8.5 -5.3 15.3 41 928 A T E -C 70 0B 24 -2,-0.3 6,-0.3 29,-0.2 29,-0.3 -0.581 29.6-130.8 -74.5 139.1 -7.8 -2.0 13.6 42 929 A N S S+ 0 0 48 27,-1.7 -1,-0.1 -2,-0.2 28,-0.1 0.829 85.5 69.3 -53.2 -41.3 -11.0 -0.3 12.2 43 930 A I S S+ 0 0 126 26,-0.4 -1,-0.2 2,-0.1 2,-0.2 -0.999 82.4 44.6-134.3 131.6 -9.3 0.2 8.8 44 931 A P S > S- 0 0 75 0, 0.0 3,-1.2 0, 0.0 -3,-0.1 0.489 82.4-148.2 -60.2 150.8 -8.5 -1.9 6.6 45 932 A A T 3 S+ 0 0 72 1,-0.2 -2,-0.1 -2,-0.2 0, 0.0 0.757 91.8 64.7 -65.8 -24.9 -12.0 -3.5 7.2 46 933 A N T 3 S+ 0 0 158 2,-0.0 -1,-0.2 0, 0.0 -3,-0.1 0.334 71.8 136.6 -79.5 0.1 -10.5 -7.0 6.4 47 934 A T < - 0 0 43 -3,-1.2 2,-0.2 -6,-0.3 -7,-0.0 -0.272 54.2-125.7 -58.4 131.2 -8.1 -7.0 9.4 48 935 A K - 0 0 150 1,-0.1 -7,-0.2 -8,-0.0 2,-0.1 -0.517 31.3-106.6 -74.8 141.1 -8.0 -10.4 11.4 49 936 A Y - 0 0 80 -2,-0.2 2,-0.4 -9,-0.1 -9,-0.2 -0.463 23.8-153.1 -72.4 143.8 -8.7 -10.1 15.1 50 937 A K E -D 39 0B 87 -11,-2.9 -11,-2.5 -2,-0.1 2,-0.3 -0.860 23.5-169.7-106.4 144.7 -5.9 -10.5 17.7 51 938 A N E -D 38 0B 98 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.983 17.6-171.1-145.4 158.2 -7.0 -11.8 21.1 52 939 A A E -D 37 0B 14 -15,-2.6 -15,-3.2 -2,-0.3 2,-0.3 -0.988 21.7-123.6-144.0 150.8 -5.9 -12.4 24.7 53 940 A N E -D 36 0B 102 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.746 26.7-175.9 -96.9 144.6 -7.2 -14.1 27.9 54 941 A A E -D 35 0B 8 -19,-2.8 -19,-3.0 -2,-0.3 5,-0.1 -0.976 25.8-162.8-138.5 147.8 -7.7 -12.3 31.2 55 942 A T S S+ 0 0 123 -2,-0.3 2,-0.2 -21,-0.2 4,-0.1 0.277 78.4 62.6-112.1 7.3 -8.7 -13.4 34.7 56 943 A T S S- 0 0 53 2,-0.4 2,-0.2 -21,-0.1 -21,-0.1 -0.751 97.9 -99.1-124.2 170.2 -9.6 -9.8 35.8 57 944 A L S S+ 0 0 70 -2,-0.2 -35,-1.7 -36,-0.0 2,-0.3 -0.060 103.6 50.4 -83.5 33.3 -12.1 -7.2 34.7 58 945 A S E -B 21 0A 12 -37,-0.2 -2,-0.4 -2,-0.2 2,-0.3 -0.967 61.1-161.8-162.7 155.8 -9.4 -5.4 32.7 59 946 A Y E -B 20 0A 29 -39,-2.3 -39,-3.4 -2,-0.3 2,-0.9 -0.990 17.9-136.4-148.0 136.4 -6.7 -6.1 30.1 60 947 A L E -B 19 0A 8 -2,-0.3 2,-0.7 -41,-0.2 -41,-0.2 -0.826 19.4-156.0 -95.7 101.6 -3.7 -4.1 28.9 61 948 A V E +B 18 0A 0 -43,-2.7 -43,-2.1 -2,-0.9 3,-0.2 -0.745 23.5 175.7 -83.2 115.3 -3.5 -4.2 25.1 62 949 A T + 0 0 50 -2,-0.7 -45,-0.2 -45,-0.2 0, 0.0 -0.549 47.2 46.4-112.3 175.5 0.1 -3.7 24.1 63 950 A G S S+ 0 0 56 -2,-0.2 -46,-0.2 1,-0.2 -1,-0.1 0.631 73.8 152.9 64.5 20.4 2.2 -3.6 20.9 64 951 A L - 0 0 11 -48,-2.3 -1,-0.2 -3,-0.2 -49,-0.0 -0.271 49.6-103.7 -75.2 162.0 -0.4 -1.5 19.1 65 952 A K > - 0 0 112 1,-0.1 3,-0.6 -49,-0.0 28,-0.3 -0.682 40.8-104.6 -85.5 144.4 0.5 0.8 16.2 66 953 A P T 3 S+ 0 0 18 0, 0.0 29,-0.2 0, 0.0 62,-0.2 -0.266 99.3 13.8 -64.9 153.5 0.7 4.6 16.9 67 954 A N T 3 S+ 0 0 85 27,-2.4 2,-0.4 1,-0.2 27,-0.1 0.869 97.6 135.0 50.1 47.0 -2.1 6.9 15.7 68 955 A T < - 0 0 18 -3,-0.6 25,-2.2 26,-0.2 2,-0.4 -0.995 53.3-135.1-132.2 133.4 -4.4 3.9 15.0 69 956 A L E - E 0 92B 72 -2,-0.4 -27,-1.7 23,-0.3 -26,-0.4 -0.727 27.8-172.3 -86.6 128.2 -8.1 3.4 15.8 70 957 A Y E -CE 41 91B 12 21,-2.4 21,-2.3 -2,-0.4 2,-0.4 -0.890 17.6-140.2-121.0 151.2 -8.9 -0.1 17.2 71 958 A E E -CE 40 90B 35 -31,-2.4 -31,-1.2 -2,-0.3 2,-0.4 -0.917 21.7-166.6-107.7 139.2 -12.2 -1.9 18.1 72 959 A F E +CE 39 89B 0 17,-3.1 17,-2.8 -2,-0.4 2,-0.3 -0.977 12.5 168.8-132.7 141.6 -12.3 -4.0 21.2 73 960 A S E -C 38 0B 0 -35,-1.8 -35,-2.8 -2,-0.4 2,-0.3 -0.966 14.3-154.0-148.5 151.9 -14.9 -6.5 22.5 74 961 A V E -C 37 0B 0 13,-0.3 12,-3.1 -2,-0.3 2,-0.3 -0.931 8.2-175.5-128.1 154.1 -14.9 -9.1 25.3 75 962 A M E -C 36 0B 23 -39,-1.4 -39,-1.9 -2,-0.3 2,-0.3 -0.871 18.8-130.1-138.8 167.4 -16.6 -12.4 26.1 76 963 A V E -C 35 0B 0 8,-0.3 7,-2.2 -2,-0.3 2,-0.3 -0.956 16.4-172.4-125.0 142.9 -16.7 -14.7 29.1 77 964 A T E +CF 34 82B 16 -43,-2.3 -43,-2.6 -2,-0.3 2,-0.3 -0.995 9.7 175.7-133.6 135.1 -16.0 -18.5 29.3 78 965 A K E > - F 0 81B 77 3,-2.1 3,-1.3 -2,-0.3 2,-0.3 -0.802 66.8 -63.9-141.0 88.4 -16.6 -20.8 32.4 79 966 A G T 3 S- 0 0 61 -47,-0.3 -1,-0.1 -2,-0.3 0, 0.0 -0.482 120.0 -4.0 71.0-126.5 -15.9 -24.4 31.3 80 967 A R T 3 S+ 0 0 257 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.755 123.5 81.8 -68.2 -28.6 -18.3 -25.7 28.6 81 968 A R E < +F 78 0B 131 -3,-1.3 -3,-2.1 -80,-0.1 2,-0.3 -0.496 54.7 164.8 -82.6 147.9 -20.3 -22.4 28.8 82 969 A S E -F 77 0B 58 -5,-0.2 -80,-1.6 -2,-0.2 -5,-0.2 -0.964 24.2-132.7-156.4 161.2 -19.5 -19.2 27.0 83 970 A S - 0 0 9 -7,-2.2 -80,-0.1 -2,-0.3 2,-0.1 -0.573 28.1-102.5-108.3 175.6 -21.1 -15.8 26.1 84 971 A T - 0 0 101 -82,-0.5 -8,-0.3 -2,-0.2 2,-0.2 -0.244 57.2 -70.4 -85.2-177.7 -21.2 -13.8 22.8 85 972 A W - 0 0 77 -10,-0.1 -10,-0.2 -81,-0.1 -1,-0.1 -0.562 53.1-123.9 -79.0 139.9 -19.0 -10.8 22.2 86 973 A S - 0 0 14 -12,-3.1 -80,-0.1 -2,-0.2 -1,-0.1 0.014 45.5 -62.2 -66.0-176.9 -19.8 -7.6 24.3 87 974 A M - 0 0 100 -82,-0.5 2,-0.4 1,-0.1 -13,-0.3 -0.263 66.6-101.3 -60.4 155.6 -20.6 -4.2 22.9 88 975 A T - 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