==== 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 4BQC . 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, . 373 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 53.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 37.0 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 . 24 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 0 1 2 9 5 2 3 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 4 1 3 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 1 881 A T 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.4 37.2 -31.2 9.5 2 882 A G - 0 0 71 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.281 360.0-116.8-113.6 42.5 38.2 -31.3 5.9 3 883 A T S S+ 0 0 91 2,-0.0 2,-0.1 0, 0.0 80,-0.0 0.330 71.2 40.4 -28.0 146.5 41.4 -29.2 6.5 4 884 A P - 0 0 92 0, 0.0 2,-0.2 0, 0.0 81,-0.2 0.604 67.9-130.3 -98.9 177.5 42.8 -26.4 5.8 5 885 A M B -a 85 0A 11 79,-1.1 81,-0.5 73,-0.2 73,-0.1 -0.562 27.1 -99.5 -94.3 151.9 40.6 -23.3 5.7 6 886 A M - 0 0 131 -2,-0.2 23,-0.2 79,-0.2 79,-0.1 -0.453 39.3-124.0 -65.9 129.2 40.4 -20.6 2.9 7 887 A P - 0 0 36 0, 0.0 21,-0.2 0, 0.0 70,-0.1 -0.463 39.2 -82.9 -74.6 149.5 42.4 -17.5 3.6 8 888 A P - 0 0 4 0, 0.0 81,-0.7 0, 0.0 2,-0.3 -0.052 43.6-155.7 -53.7 147.8 40.6 -14.1 3.6 9 889 A V E +B 26 0B 51 17,-2.3 17,-3.1 1,-0.2 79,-0.0 -0.794 65.0 36.8-119.3 161.3 40.0 -12.2 0.3 10 890 A G E - 0 0 46 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.836 69.3-175.7 63.3 40.2 39.5 -8.5 -0.5 11 891 A V E - 0 0 10 -3,-0.2 2,-0.4 14,-0.1 14,-0.2 -0.517 6.5-179.9 -71.6 125.0 42.0 -7.2 2.1 12 892 A Q E -B 24 0B 131 12,-2.9 12,-2.7 -2,-0.3 2,-0.4 -0.998 21.4-150.9-137.5 138.4 41.9 -3.4 2.2 13 893 A A E -B 23 0B 28 -2,-0.4 2,-0.4 79,-0.3 10,-0.2 -0.846 9.9-168.1-102.9 136.3 43.7 -0.6 4.1 14 894 A S E -B 22 0B 47 8,-1.4 8,-3.5 -2,-0.4 2,-0.5 -0.978 19.9-132.3-131.3 116.0 42.0 2.7 4.8 15 895 A I E +B 21 0B 39 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.592 34.4 161.7 -75.0 119.0 44.1 5.6 6.2 16 896 A L - 0 0 9 4,-2.3 2,-0.2 -2,-0.5 5,-0.2 0.826 59.0 -21.5-103.2 -47.0 42.5 7.4 9.1 17 897 A S S S- 0 0 21 3,-2.3 79,-2.3 79,-0.1 -1,-0.2 -0.707 77.1 -75.8-145.3-162.3 45.3 9.3 10.9 18 898 A H S S+ 0 0 55 77,-0.2 52,-0.2 -2,-0.2 77,-0.1 0.670 134.4 24.4 -75.7 -19.5 49.1 9.6 11.4 19 899 A D S S+ 0 0 45 49,-0.1 47,-1.3 1,-0.1 2,-0.4 0.331 113.1 77.5-124.8 -2.8 48.8 6.5 13.7 20 900 A T + 0 0 16 45,-0.1 -4,-2.3 44,-0.1 -3,-2.3 -0.963 40.7 167.9-124.7 131.2 45.6 4.7 12.5 21 901 A I E -BC 15 63B 0 42,-1.7 42,-2.1 -2,-0.4 2,-0.5 -1.000 26.6-140.5-131.6 126.3 44.9 2.5 9.4 22 902 A R E -BC 14 62B 42 -8,-3.5 -8,-1.4 -2,-0.4 2,-0.5 -0.809 12.9-154.3 -95.4 125.1 41.6 0.5 9.2 23 903 A I E +BC 13 61B 0 38,-3.3 38,-2.5 -2,-0.5 2,-0.3 -0.856 15.1 176.5-103.4 127.3 41.8 -3.0 7.8 24 904 A T E +BC 12 60B 38 -12,-2.7 -12,-2.9 -2,-0.5 2,-0.3 -0.877 5.2 164.7-122.4 153.7 38.7 -4.7 6.1 25 905 A W E - 0 0 15 34,-1.4 2,-0.3 -2,-0.3 -15,-0.2 -0.916 28.9-113.0-153.8-178.0 38.4 -8.1 4.4 26 906 A A E -B 9 0B 36 -17,-3.1 -17,-2.3 -2,-0.3 2,-0.4 -0.957 8.6-158.6-127.4 141.3 36.0 -10.8 3.0 27 907 A D - 0 0 11 -2,-0.3 -17,-0.0 -19,-0.2 -21,-0.0 -0.712 8.5-179.3-121.6 80.8 35.4 -14.3 4.2 28 908 A N S S+ 0 0 122 -2,-0.4 2,-1.9 1,-0.2 -1,-0.1 0.779 77.7 74.9 -44.0 -36.1 33.8 -16.3 1.3 29 909 A S 0 0 44 -23,-0.2 -1,-0.2 -3,-0.1 -24,-0.0 -0.563 360.0 360.0 -82.3 69.7 33.7 -19.2 3.7 30 910 A L 0 0 136 -2,-1.9 -2,-0.0 0, 0.0 0, 0.0 -0.891 360.0 360.0-141.2 360.0 30.7 -17.8 5.7 31 ! 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 32 917 A T 0 0 196 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.4 28.3 -17.0 14.8 33 918 A D - 0 0 61 1,-0.0 0, 0.0 47,-0.0 0, 0.0 -0.202 360.0 -82.1 -90.4-175.9 30.6 -20.0 15.3 34 919 A S S S+ 0 0 112 -2,-0.1 47,-0.3 2,-0.0 45,-0.0 0.468 87.5 122.6 -69.0 -4.9 33.8 -20.4 17.4 35 920 A R + 0 0 44 45,-0.1 2,-0.3 22,-0.0 45,-0.2 -0.131 35.5 179.5 -64.8 155.6 36.0 -18.8 14.6 36 921 A Y E -D 79 0C 94 43,-2.2 43,-2.9 2,-0.0 2,-0.4 -0.977 21.2-125.9-153.7 152.2 38.3 -15.7 14.8 37 922 A Y E -DE 78 56C 4 19,-2.9 19,-2.4 -2,-0.3 2,-0.5 -0.827 10.8-153.1-105.2 143.9 40.7 -13.6 12.6 38 923 A T E -DE 77 55C 13 39,-2.5 39,-1.3 -2,-0.4 2,-0.5 -0.965 10.6-158.4-116.2 120.0 44.3 -12.8 13.3 39 924 A V E -DE 76 54C 0 15,-2.9 15,-1.1 -2,-0.5 2,-0.4 -0.879 8.3-167.2 -98.6 130.6 45.6 -9.5 11.7 40 925 A R E +DE 75 53C 55 35,-2.7 35,-2.3 -2,-0.5 2,-0.3 -0.937 8.6 174.6-118.4 144.9 49.3 -9.1 11.2 41 926 A W E +DE 74 52C 23 11,-1.8 11,-2.7 -2,-0.4 2,-0.3 -0.995 5.8 169.9-148.2 148.5 51.3 -6.0 10.3 42 927 A K E -D 73 0C 30 31,-1.5 31,-2.7 -2,-0.3 2,-0.2 -0.981 42.6 -90.9-153.1 153.5 54.9 -4.8 9.9 43 928 A T E -D 72 0C 32 -2,-0.3 29,-0.3 7,-0.2 -2,-0.0 -0.495 31.3-134.5 -67.7 129.9 56.8 -1.7 8.5 44 929 A N S S+ 0 0 55 27,-2.4 -1,-0.1 -2,-0.2 28,-0.1 0.847 81.8 74.9 -50.1 -43.5 57.7 -2.2 4.8 45 930 A I S S+ 0 0 128 26,-0.4 2,-0.2 3,-0.0 -1,-0.1 -0.986 77.5 44.4-126.1 134.3 61.3 -0.9 5.6 46 931 A P S S- 0 0 91 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.522 87.4-133.5 -60.5 162.5 63.7 -2.4 7.0 47 932 A A S S+ 0 0 84 -2,-0.2 2,-0.7 1,-0.1 -2,-0.0 0.930 93.2 53.2 -58.5 -50.3 63.1 -5.6 5.0 48 933 A N S S+ 0 0 148 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.813 73.0 142.9 -95.7 112.5 63.4 -7.9 8.1 49 934 A T - 0 0 39 -2,-0.7 2,-0.3 -5,-0.0 -7,-0.0 -0.963 51.4-106.7-142.2 152.5 61.1 -6.7 10.9 50 935 A K - 0 0 189 -2,-0.3 -7,-0.2 1,-0.1 2,-0.2 -0.642 37.9-122.4 -82.6 137.8 59.0 -8.6 13.5 51 936 A Y - 0 0 66 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.569 14.1-140.6 -80.0 145.3 55.2 -8.7 12.9 52 937 A K E -E 41 0C 145 -11,-2.7 -11,-1.8 -2,-0.2 2,-0.3 -0.748 23.1-154.0-101.6 150.3 52.6 -7.3 15.4 53 938 A N E +E 40 0C 100 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.858 16.3 179.2-127.4 162.9 49.4 -9.3 15.8 54 939 A A E -E 39 0C 13 -15,-1.1 -15,-2.9 -2,-0.3 2,-0.3 -0.961 21.9-129.5-161.5 145.2 45.7 -8.8 16.8 55 940 A N E +E 38 0C 110 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.753 26.0 175.5 -98.8 147.3 42.5 -10.8 17.1 56 941 A A E -E 37 0C 12 -19,-2.4 -19,-2.9 -2,-0.3 5,-0.1 -0.966 26.5-166.6-152.4 132.5 39.2 -9.8 15.6 57 942 A T S S+ 0 0 122 -2,-0.3 2,-0.1 -21,-0.2 -1,-0.1 0.711 77.7 69.8 -88.0 -24.9 35.8 -11.5 15.5 58 943 A T S S- 0 0 87 2,-0.3 2,-0.4 -21,-0.1 -21,-0.1 -0.334 95.8-107.6 -87.4 171.0 34.5 -9.0 12.8 59 944 A L S S+ 0 0 57 -2,-0.1 -34,-1.4 -34,-0.0 2,-0.3 -0.260 101.3 64.4 -93.4 46.1 35.5 -8.6 9.1 60 945 A S E -C 24 0B 19 -2,-0.4 -2,-0.3 -36,-0.2 2,-0.3 -0.950 57.9-174.8-162.1 148.5 37.3 -5.4 10.2 61 946 A Y E -C 23 0B 57 -38,-2.5 -38,-3.3 -2,-0.3 2,-0.8 -0.924 17.9-143.1-153.5 128.8 40.3 -4.4 12.4 62 947 A L E -C 22 0B 37 -2,-0.3 2,-0.6 -40,-0.2 -40,-0.2 -0.817 15.2-150.1 -98.6 106.3 41.6 -0.9 13.4 63 948 A V E -C 21 0B 0 -42,-2.1 -42,-1.7 -2,-0.8 3,-0.2 -0.668 24.6-172.8 -77.6 115.7 45.4 -0.9 13.6 64 949 A T + 0 0 48 -2,-0.6 -44,-0.1 -44,-0.2 -1,-0.0 -0.461 48.6 37.4-104.8 174.6 46.4 1.8 16.3 65 950 A G S S+ 0 0 66 1,-0.1 2,-0.2 -2,-0.1 -1,-0.2 0.864 74.2 161.1 49.4 52.7 49.6 3.4 17.6 66 951 A L - 0 0 16 -47,-1.3 -1,-0.1 -3,-0.2 -46,-0.1 -0.540 44.8 -99.6 -98.5 163.1 51.5 3.6 14.2 67 952 A K > - 0 0 143 -2,-0.2 3,-0.7 1,-0.1 28,-0.3 -0.576 45.1-109.0 -77.3 145.6 54.5 5.8 13.2 68 953 A P T 3 S+ 0 0 25 0, 0.0 29,-0.2 0, 0.0 62,-0.1 -0.414 97.5 12.6 -73.6 155.3 53.5 8.9 11.3 69 954 A N T 3 S+ 0 0 84 27,-2.4 2,-0.4 1,-0.2 27,-0.1 0.847 99.9 136.7 49.3 44.0 54.4 9.1 7.5 70 955 A T < - 0 0 25 -3,-0.7 25,-2.4 -52,-0.2 2,-0.5 -0.978 51.5-134.6-127.3 136.7 55.2 5.3 7.5 71 956 A L E - F 0 94C 67 -2,-0.4 -27,-2.4 23,-0.3 -26,-0.4 -0.797 26.6-170.9 -94.4 126.7 54.3 2.5 5.1 72 957 A Y E -DF 43 93C 17 21,-3.2 21,-2.1 -2,-0.5 2,-0.4 -0.783 18.8-137.9-118.9 155.3 53.0 -0.8 6.5 73 958 A E E -DF 42 92C 39 -31,-2.7 -31,-1.5 -2,-0.3 2,-0.4 -0.889 24.8-167.7-106.9 138.1 52.2 -4.3 5.2 74 959 A F E +DF 41 91C 0 17,-2.2 17,-2.6 -2,-0.4 2,-0.3 -0.979 12.4 169.7-134.9 145.6 49.0 -6.1 6.4 75 960 A S E -D 40 0C 0 -35,-2.3 -35,-2.7 -2,-0.4 2,-0.3 -0.961 15.1-151.7-146.2 159.8 47.6 -9.6 6.2 76 961 A V E -D 39 0C 0 -2,-0.3 12,-3.0 13,-0.3 2,-0.3 -0.904 9.4-173.8-129.7 155.7 44.7 -11.5 7.7 77 962 A M E -D 38 0C 41 -39,-1.3 -39,-2.5 -2,-0.3 2,-0.4 -0.973 20.2-128.1-147.4 149.9 44.3 -15.2 8.6 78 963 A V E -D 37 0C 0 8,-0.3 7,-2.6 -2,-0.3 2,-0.5 -0.907 18.7-171.1-107.9 131.2 41.3 -17.3 9.9 79 964 A T E +DG 36 84C 18 -43,-2.9 -43,-2.2 -2,-0.4 2,-0.4 -0.990 10.1 168.9-122.5 115.0 41.5 -19.6 12.9 80 965 A K E > - G 0 83C 77 3,-1.9 3,-2.0 -2,-0.5 -45,-0.1 -0.917 61.0 -60.5-133.0 107.4 38.6 -21.9 13.8 81 966 A G T 3 S- 0 0 68 -2,-0.4 -1,-0.1 -47,-0.3 0, 0.0 -0.348 119.9 -11.9 60.5-125.2 39.3 -24.6 16.5 82 967 A R T 3 S+ 0 0 241 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.3 0.328 124.9 86.4 -85.2 3.2 42.1 -26.9 15.5 83 968 A R E < -G 80 0C 48 -3,-2.0 -3,-1.9 -79,-0.1 2,-0.3 -0.746 53.9-179.2-109.1 152.5 42.0 -25.5 11.8 84 969 A S E -G 79 0C 63 -2,-0.3 -79,-1.1 -5,-0.2 2,-0.3 -0.995 21.4-132.3-152.8 152.0 43.7 -22.5 10.2 85 970 A S B -a 5 0A 3 -7,-2.6 -79,-0.2 -2,-0.3 3,-0.1 -0.720 31.6-113.2 -99.3 151.9 44.0 -20.5 7.0 86 971 A T - 0 0 98 -81,-0.5 -8,-0.3 -2,-0.3 2,-0.1 -0.179 57.3 -66.5 -73.0 177.5 47.4 -19.4 5.5 87 972 A W - 0 0 72 -10,-0.1 -10,-0.2 -80,-0.1 -1,-0.2 -0.445 56.5-123.1 -70.7 140.9 48.0 -15.7 5.4 88 973 A S - 0 0 10 -12,-3.0 -79,-0.1 1,-0.2 -1,-0.1 0.007 45.4 -62.1 -68.0-179.4 45.8 -13.7 3.1 89 974 A M - 0 0 94 -81,-0.7 2,-0.4 1,-0.1 -13,-0.3 -0.349 65.2-105.9 -63.1 145.4 46.9 -11.4 0.2 90 975 A T - 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