Secondary structure calculation program - copyright by David Keith Smith, 1989
1ten-.pdb
1TEN CELL ADHESION PROTEIN TENASCIN (THIRD FIBRONECTIN TYPE III REPEAT) HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED
Sequence length - 90
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 802 ARG R 0 0 999.9 999.9 999.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 -1 -1
2 803 LEU L B B a 81 0 -69.1 143.1 179.1 999.9 999.9 129.4 80 -0.6 82 -0.6 0 0.0 0 0.0 11 28
3 804 ASP D - 0 0 -77.6 135.7 178.9 -123.2 999.9 124.5 0 0.0 0 0.0 0 0.0 0 0.0 9 32
4 805 ALA A - 0 0 -75.6 161.6 179.1 -85.2 39.8 111.9 0 0.0 0 0.0 0 0.0 0 0.0 12 40
5 806 PRO P - 0 0 -65.3 146.3 -176.7 -139.8 53.3 116.0 0 0.0 0 0.0 0 0.0 0 0.0 13 47
6 807 SER S E E AA + 23 0 -110.5 167.8 179.8 22.5 66.7 130.5 23 -1.6 23 -2.9 0 0.0 0 0.0 8 36
7 808 GLN Q E E A* S- 0 0 43.5 59.3 -178.9 -173.4 72.5 23.1 0 0.0 0 0.0 0 0.0 0 0.0 7 28
8 809 ILE I E E A* + 0 0 -83.3 128.4 -179.7 176.0 6.7 133.3 0 0.0 0 0.0 0 0.0 0 0.0 10 39
9 810 GLU E E E AA - 21 0 -136.7 141.3 176.8 -149.0 26.5 173.3 21 -2.0 21 -2.6 0 0.0 0 0.0 7 34
10 811 VAL V E E AA + 20 0 -105.5 126.3 -177.3 162.9 35.5 161.1 0 0.0 0 0.0 0 0.0 0 0.0 10 42
11 812 LYS K E E AA + 19 0 -138.8 174.0 176.8 39.5 42.7 151.5 19 -2.7 19 -2.6 0 0.0 0 0.0 8 29
12 813 ASP D S S S+ 0 0 53.1 45.7 -177.0 178.9 71.4 29.8 0 0.0 0 0.0 0 0.0 0 0.0 7 22
13 814 VAL V + 0 0 -83.4 131.8 177.9 171.7 6.9 126.0 0 0.0 0 0.0 0 0.0 0 0.0 11 32
14 815 THR T - 0 0 -123.4 -178.9 178.7 -81.9 55.3 136.3 17 -2.5 0 0.0 0 0.0 0 0.0 7 24
15 816 ASP D S S S+ 0 0 -57.5 -27.8 -178.1 16.4 129.5 35.2 0 0.0 0 0.0 0 0.0 0 0.0 9 24
16 817 THR T S S S+ 0 0 -128.5 3.3 -178.6 53.0 120.9 64.9 0 0.0 62 -2.5 0 0.0 0 0.0 11 27
17 818 THR T + 0 0 -137.1 165.5 177.9 178.0 46.9 156.0 0 0.0 14 -2.5 0 0.0 0 0.0 13 33
18 819 ALA A E E A B - 0 59 -161.6 150.1 178.1 -137.9 20.9 165.7 59 -1.8 59 -2.9 0 0.0 0 0.0 13 39
19 820 LEU L E E AAB - 11 58 -115.0 128.6 -180.0 -160.3 15.3 165.5 11 -2.6 11 -2.7 0 0.0 0 0.0 12 39
20 821 ILE I E E AAB + 10 57 -107.5 132.7 -179.3 177.6 15.5 158.4 57 -2.8 57 -2.0 0 0.0 0 0.0 12 49
21 822 THR T E E AAB + 9 56 -131.4 157.2 177.8 163.9 3.9 156.3 9 -2.6 9 -2.0 0 0.0 0 0.0 12 44
22 823 TRP W E E A* - 0 0 -159.5 175.3 175.2 -100.2 38.0 161.3 55 -1.7 0 0.0 0 0.0 0 0.0 11 40
23 824 PHE F E E AA - 6 0 -104.6 136.7 178.9 -102.6 48.3 153.8 6 -2.9 6 -1.6 0 0.0 0 0.0 9 34
24 825 LYS K - 0 0 -56.5 139.2 179.0 -101.3 43.3 105.5 0 0.0 0 0.0 0 0.0 0 0.0 8 37
25 826 PRO P - 0 0 -60.6 151.9 180.0 -122.7 26.4 105.7 0 0.0 0 0.0 0 0.0 0 0.0 12 38
26 827 LEU L S S S+ 0 0 -61.7 -48.4 179.6 71.2 92.3 23.0 0 0.0 0 0.0 0 0.0 0 0.0 5 26
27 828 ALA A S S S- 0 0 -70.6 147.3 176.3 -99.5 99.2 112.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
28 829 GLU E + 0 0 -65.5 142.6 -174.7 179.7 51.6 115.7 0 0.0 0 0.0 0 0.0 0 0.0 6 29
29 830 ILE I - 0 0 -144.6 157.2 176.3 -132.4 39.5 164.3 0 0.0 0 0.0 0 0.0 0 0.0 10 33
30 831 ASP D S e S- 0 0 -79.3 -38.3 -179.6 -49.9 80.6 30.1 75 -2.2 52 -1.3 0 0.0 0 0.0 10 32
31 832 GLY G E E BCD - 75 51 -172.2 -168.4 -178.0 -94.6 50.4 163.9 75 -1.2 75 -2.7 0 0.0 0 0.0 12 41
32 833 ILE I E E BCD - 74 50 -130.4 135.3 175.3 -146.0 23.0 166.8 50 -1.1 50 -3.2 0 0.0 34 -0.5 13 50
33 834 GLU E E E BCD - 73 49 -105.8 125.1 179.0 -166.1 16.6 159.1 73 -2.5 73 -1.9 0 0.0 0 0.0 12 50
34 835 LEU L E E BCD - 72 48 -110.6 124.4 177.9 -172.9 4.3 166.7 48 -2.8 48 -2.6 32 -0.5 0 0.0 12 54
35 836 THR T E E BCD + 71 47 -118.3 133.4 178.2 171.0 8.7 167.4 71 -2.9 71 -2.3 0 0.0 0 0.0 11 51
36 837 TYR Y E E BCD + 70 46 -135.9 155.7 176.0 132.2 9.4 161.9 46 -2.2 46 -2.9 0 0.0 0 0.0 12 51
37 838 GLY G E E BC - 69 0 178.1 173.4 178.9 -53.2 62.9 160.5 69 -1.6 69 -2.6 0 0.0 0 0.0 11 41
38 839 ILE I E E BC > T - 68 0 -65.2 127.0 -173.9 -127.7 57.3 118.3 0 0.0 41 -2.0 0 0.0 0 0.0 12 36
39 840 LYS K T e 3 TS+ 0 0 -48.6 -51.0 -177.5 35.8 100.1 32.1 67 -1.9 0 0.0 0 0.0 0 0.0 9 27
40 841 A ASP D T T 3 TS+ 0 0 -95.5 17.5 175.6 86.0 96.1 78.7 0 0.0 0 0.0 0 0.0 0 0.0 4 23
41 842 VAL V t X T - 0 0 -111.6 96.2 -179.0 -166.0 62.2 149.6 38 -2.0 44 -2.0 0 0.0 0 0.0 7 19
42 843 PRO P T T 3 TS+ 0 0 -52.6 -34.0 -178.9 51.9 84.3 36.6 0 0.0 0 0.0 0 0.0 0 0.0 7 17
43 844 GLY G T T 3 TS+ 0 0 -83.2 -8.8 -178.8 91.6 85.2 53.6 0 0.0 45 -1.3 0 0.0 0 0.0 4 15
44 845 ASP D t < T + 0 0 -88.0 88.7 179.6 136.1 54.0 134.6 41 -2.0 0 0.0 0 0.0 0 0.0 8 23
45 846 ARG R - 0 0 -138.4 111.1 176.8 -176.8 29.3 153.6 43 -1.3 0 0.0 0 0.0 0 0.0 9 27
46 847 THR T E E BD - 36 0 -103.9 129.8 178.1 -159.8 12.1 156.9 36 -2.9 36 -2.2 0 0.0 0 0.0 7 29
47 848 THR T E E BD - 35 0 -110.9 132.3 178.9 -168.0 4.5 158.9 0 0.0 0 0.0 0 0.0 0 0.0 8 31
48 849 ILE I E E BD - 34 0 -114.9 134.5 177.6 -143.3 14.5 162.6 34 -2.6 34 -2.8 0 0.0 50 -0.7 7 33
49 850 ASP D E E BD - 33 0 -102.5 115.9 -179.4 -166.0 21.9 153.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
50 851 LEU L E E BD - 32 0 -97.5 157.5 177.0 -117.1 19.5 131.5 32 -3.2 32 -1.1 48 -0.7 0 0.0 9 38
51 852 THR T E E BD > T - 31 0 -88.4 162.0 -175.1 -102.6 35.7 122.6 0 0.0 54 -1.6 0 0.0 0 0.0 8 30
52 853 GLU E T e 3 TS+ 0 0 -58.2 -21.7 178.8 60.3 118.4 44.7 30 -1.3 0 0.0 0 0.0 0 0.0 10 36
53 854 ASP D T T 3 TS+ 0 0 -77.3 -25.8 179.7 95.5 83.6 49.5 0 0.0 0 0.0 0 0.0 0 0.0 5 26
54 855 GLU E t < T + 0 0 -77.4 134.5 -179.0 169.3 39.2 120.9 51 -1.6 0 0.0 0 0.0 0 0.0 7 31
55 856 ASN N e + 0 0 -125.6 6.9 -180.0 36.9 62.3 71.2 0 0.0 22 -1.7 0 0.0 0 0.0 9 37
56 857 GLN Q E E AB - 21 0 -154.0 159.5 179.7 -162.6 56.4 167.2 0 0.0 0 0.0 0 0.0 0 0.0 8 41
57 858 TYR Y E E AB - 20 0 -151.8 130.1 -178.0 -145.8 12.0 164.4 20 -2.0 20 -2.8 0 0.0 0 0.0 8 40
58 859 SER S E E AB - 19 0 -100.2 127.1 -178.7 -161.5 16.1 150.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
59 860 ILE I E E AB + 18 0 -110.3 139.1 179.1 177.4 12.1 155.2 18 -2.9 18 -1.8 0 0.0 0 0.0 9 43
60 861 GLY G + 0 0 -133.4 175.6 -179.6 47.0 50.4 140.4 0 0.0 0 0.0 0 0.0 0 0.0 7 32
61 862 ASN N S S S+ 0 0 59.9 37.8 178.5 155.2 71.2 36.1 0 0.0 0 0.0 0 0.0 0 0.0 6 25
62 863 LEU L - 0 0 -86.6 166.0 -180.0 -100.7 48.7 115.9 16 -2.5 0 0.0 0 0.0 0 0.0 9 36
63 864 LYS K t > T - 0 0 -87.7 133.7 179.7 -110.8 40.4 136.3 0 0.0 66 -0.5 0 0.0 0 0.0 8 27
64 865 PRO P T T 3 TS+ 0 0 -65.7 152.1 178.0 11.8 93.9 107.2 0 0.0 0 0.0 0 0.0 0 0.0 7 21
65 866 ASP D T T 3 TS+ 0 0 48.4 48.2 -176.6 133.6 97.6 28.8 0 0.0 0 0.0 0 0.0 0 0.0 7 23
66 867 THR T e < T - 0 0 -131.3 138.1 177.3 -127.5 56.6 170.9 63 -0.5 90 -2.0 0 0.0 0 0.0 8 28
67 868 GLU E E E B E - 0 89 -82.9 128.4 -178.7 -172.4 32.0 132.8 0 0.0 39 -1.9 0 0.0 0 0.0 10 33
68 869 TYR Y E E BCE - 38 88 -121.1 157.1 176.5 -146.7 14.7 148.4 88 -3.1 88 -1.8 0 0.0 0 0.0 12 44
69 870 GLU E E E BCE - 37 87 -122.1 143.5 176.9 -166.4 9.2 162.5 37 -2.6 37 -1.6 0 0.0 0 0.0 12 44
70 871 A VAL V E E BCE - 36 86 -126.8 141.8 -179.3 -171.0 4.6 168.0 86 -2.6 86 -2.1 0 0.0 0 0.0 11 56
71 872 SER S E E BCE - 35 85 -134.3 137.8 179.0 -164.8 2.4 173.4 35 -2.3 35 -2.9 0 0.0 0 0.0 11 49
72 873 LEU L E E BCE - 34 84 -129.8 138.7 179.6 -177.3 5.9 171.7 84 -2.2 84 -1.9 0 0.0 0 0.0 13 54
73 874 ILE I E E BC - 33 0 -132.8 135.5 175.7 -135.3 21.5 171.8 33 -1.9 33 -2.5 0 0.0 0 0.0 14 51
74 875 SER S E E BC - 32 0 -86.2 146.5 -177.9 -158.3 27.8 136.1 0 0.0 81 -2.0 0 0.0 0 0.0 17 47
75 876 ARG R E E BCF + 31 80 -132.2 147.1 175.2 168.2 26.5 161.1 31 -2.7 30 -2.2 0 0.0 31 -1.2 14 37
76 877 ARG R E E B F> T - 0 79 -158.3 99.4 179.6 -67.0 66.2 137.6 79 -2.5 79 -2.3 0 0.0 0 0.0 11 30
77 878 GLY G T T 3 TS- 0 0 63.4 -118.7 -179.5 -2.5 121.1 108.3 0 0.0 0 0.0 0 0.0 0 0.0 6 21
78 879 ASP D T T 3 TS+ 0 0 -75.4 -25.2 -178.4 83.1 123.2 44.6 0 0.0 0 0.0 0 0.0 0 0.0 5 16
79 880 A MET M E E BF < T + 76 0 -91.8 152.9 179.0 179.6 50.7 118.7 76 -2.3 76 -2.5 0 0.0 0 0.0 7 22
80 881 SER S E E BF - 75 0 -143.2 154.5 176.3 -119.9 25.8 160.2 0 0.0 2 -0.6 0 0.0 0 0.0 10 31
81 882 SER S B e a - 2 0 -82.5 -177.7 173.4 -84.3 45.8 107.0 74 -2.0 0 0.0 0 0.0 0 0.0 10 32
82 883 ASN N - 0 0 -79.7 148.6 179.5 -100.5 58.6 127.4 2 -0.6 0 0.0 0 0.0 0 0.0 9 29
83 884 PRO P - 0 0 -75.4 143.9 174.7 -153.4 28.7 122.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
84 885 ALA A E E BE - 72 0 -114.7 128.5 -176.3 -164.6 18.4 170.1 72 -1.9 72 -2.2 0 0.0 0 0.0 9 35
85 886 LYS K E E BE + 71 0 -121.7 148.8 179.0 177.1 14.3 156.3 0 0.0 0 0.0 0 0.0 0 0.0 8 38
86 887 GLU E E E BE - 70 0 -143.5 153.6 178.0 -143.5 16.5 159.6 70 -2.1 70 -2.6 0 0.0 0 0.0 8 36
87 888 A THR T E E BE + 69 0 -115.6 156.8 177.3 172.2 19.5 147.1 0 0.0 0 0.0 0 0.0 0 0.0 9 37
88 889 PHE F E E BE - 68 0 -154.3 165.5 -179.6 -136.5 20.9 163.3 68 -1.8 68 -3.1 0 0.0 0 0.0 8 39
89 890 A THR T E E BE 67 0 -131.3 139.6 177.0 999.9 999.9 163.7 0 0.0 0 0.0 0 0.0 0 0.0 8 34
90 891 THR T e 0 0 -91.4 999.9 999.9 999.9 999.9 115.2 66 -2.0 0 0.0 0 0.0 0 0.0 15 32
1ten-.pdb
1TEN CELL ADHESION PROTEIN TENASCIN (THIRD FIBRONECTIN TYPE III REPEAT) HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED
author author
Kabs/Sand B EEEEEES SS EEEEEE SS SEEEEEEEETT TT EEEEEETT EEEE S TT EEEEEEEEEETTEEB EEEEEE Kabs/Sand
chirality ---+-+-++++-+++--++----+-+------++--++-+++-------++++---+++--++---------+--++-----+-+- chirality
bends S S SS SS S SS SS SS S SS SS bends
turns TTTTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33X33< >33< >33< >33< 3-turns
bridge-2 BBBB DDDDDD EEEEEE FF bridge-2
bridge-1 a A**AAA AAA*A CCCCCCCC DDDDDD BBBB CCCCCCCC FFa EEEEEE bridge-1
sheets AAAAAA AAAAAA BBBBBBBB BBBBBB AAAA BBBBBBBBBB BB BBBBBB sheets
4-turns 4-turns
summary B EEEEEES SS EEEEEE SS eEEEEEEEEeTtTTt EEEEEEeTteEEEE S tTTeEEEEEEEEEETTEEe EEEEEEe summary
sequence RLDAPSQIEVKDVTDTTALITWFKPLAEIDGIELTYGIKDVPGDRTTIDLTEDENQYSIGNLKPDTEYEVSLISRRGDMSSNPAKETFTT sequence
10 20 30 40 50 60 70 80 90