Secondary structure calculation program - copyright by David Keith Smith, 1989
1couA.pdb
1COU BLOOD CLOTTING MOL_ID: 1; MOL_ID: 1;
Sequence length - 85
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 A 1 LYS K 0 0 999.9 138.9 -169.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
2 A 2 ALA A + 0 0 43.1 38.7 169.5 121.6 999.9 38.4 5 -2.9 0 0.0 0 0.0 0 0.0 12 36
3 A 3 THR T S S S- 0 0 -112.7 64.3 -168.3 -47.6 118.6 134.7 0 0.0 0 0.0 0 0.0 0 0.0 8 28
4 A 4 MET M S S S+ 0 0 64.5 29.4 -176.8 96.6 138.3 37.2 0 0.0 0 0.0 0 0.0 0 0.0 9 29
5 A 5 GLN Q + 0 0 -144.6 58.3 -177.5 153.3 51.9 120.3 0 0.0 2 -2.9 0 0.0 0 0.0 8 26
6 A 6 CYS C - 0 0 -80.5 -165.2 -175.7 -51.5 66.7 87.8 0 0.0 8 -2.4 0 0.0 0 0.0 15 37
7 A 7 GLY G S S S- 0 0 -76.0 56.3 169.6 -108.3 74.9 104.0 62 -1.6 9 -2.4 0 0.0 0 0.0 11 36
8 A 8 GLU E S S S+ 0 0 61.4 -67.2 170.0 70.8 114.3 106.4 6 -2.4 10 -2.5 0 0.0 0 0.0 6 30
9 A 9 ASN N S e S+ 0 0 -74.4 70.0 -177.0 129.4 84.4 119.9 7 -2.4 53 -1.5 0 0.0 0 0.0 9 31
10 A 10 GLU E E E AA - 52 0 -116.6 179.0 178.2 -143.0 49.4 123.4 8 -2.5 0 0.0 0 0.0 0 0.0 12 41
11 A 11 LYS K E E AA - 51 0 -147.6 141.2 170.3 -106.2 26.7 170.1 51 -2.7 51 -2.8 0 0.0 0 0.0 9 35
12 A 12 TYR Y E E AA + 50 0 -61.9 135.8 173.1 179.5 43.6 121.5 0 0.0 0 0.0 0 0.0 0 0.0 9 31
13 A 13 ASP D E E AA - 49 0 -143.9 136.8 174.7 -134.8 37.5 171.0 49 -3.0 49 -2.6 0 0.0 15 -1.5 9 35
14 A 14 SER S S S S+ 0 0 -75.9 44.5 179.6 72.5 91.3 101.8 0 0.0 0 0.0 0 0.0 0 0.0 8 27
15 A 15 CYS C S S S- 0 0 -165.4 80.8 169.7 -59.3 99.9 113.0 13 -1.5 0 0.0 0 0.0 0 0.0 10 34
16 A 16 GLY G - 0 0 78.1 170.0 174.9 -77.9 60.9 80.7 47 -1.2 0 0.0 0 0.0 0 0.0 14 36
17 A 17 SER S S S S+ 0 0 -80.9 0.9 -170.9 5.9 128.3 73.0 0 0.0 0 0.0 0 0.0 0 0.0 14 46
18 A 18 LYS K t > T - 0 0 -152.1 -43.2 -168.6 -169.6 67.3 64.0 0 0.0 20 -0.9 0 0.0 21 -0.8 13 55
19 A 19 GLU E T T 3 T - 0 0 48.2 -12.6 -169.3 -121.7 43.3 80.3 0 0.0 0 0.0 0 0.0 0 0.0 11 51
20 A 20 CYS C T T > TS+ 0 0 44.9 33.0 -178.1 142.4 70.2 38.0 18 -0.9 38 -1.7 0 0.0 23 -1.1 12 58
21 A 21 ASP D T T < TS+ 0 0 -62.9 -71.8 169.3 20.0 77.5 4.7 18 -0.8 23 -0.9 0 0.0 0 0.0 7 50
22 A 22 LYS K T T 3 TS+ 0 0 -92.0 59.9 172.0 169.4 92.3 119.8 0 0.0 58 -2.5 0 0.0 0 0.0 12 51
23 A 23 LYS K B B a < T - 58 0 -67.1 135.7 174.1 -100.5 52.7 125.1 20 -1.1 25 -1.5 21 -0.9 0 0.0 12 59
24 A 24 CYS C - 0 0 -59.8 89.4 -169.3 -143.3 44.1 116.9 58 -2.4 26 -2.7 0 0.0 0 0.0 12 58
25 A 25 LYS K + 0 0 -66.5 54.9 168.7 101.9 60.0 102.5 23 -1.5 0 0.0 0 0.0 0 0.0 10 50
26 A 26 TYR Y - 0 0 -134.5 142.1 -179.2 -127.9 67.8 176.6 24 -2.7 28 -1.1 0 0.0 0 0.0 13 45
27 A 27 ASP D S S S- 0 0 -90.3 90.8 169.2 -55.5 71.9 136.0 32 -2.6 29 -2.2 0 0.0 0 0.0 13 39
28 A 28 GLY G S S S+ 0 0 83.0 -54.6 177.0 48.2 130.8 104.5 78 -2.8 0 0.0 26 -1.1 0 0.0 11 34
29 A 29 VAL V S t > TS- 0 0 -123.9 132.2 -179.6 -123.9 86.1 171.7 27 -2.2 32 -2.2 0 0.0 0 0.0 11 31
30 A 30 GLU E T T 3 TS+ 0 0 -42.1 -35.4 175.9 69.3 107.9 43.6 0 0.0 0 0.0 0 0.0 0 0.0 9 34
31 A 31 GLU E T T 3 TS+ 0 0 -52.5 -43.7 -179.8 65.5 88.5 25.4 0 0.0 33 -1.9 0 0.0 0 0.0 5 25
32 A 32 GLU E t < T + 0 0 -80.7 54.7 174.5 151.7 60.1 105.9 29 -2.2 27 -2.6 0 0.0 34 -2.2 9 24
33 A 33 ASP D + 0 0 -78.1 57.4 -169.4 107.3 40.8 114.2 31 -1.9 0 0.0 0 0.0 0 0.0 9 31
34 A 34 ASP D + 0 0 -105.8 -60.3 -169.9 86.0 40.8 31.3 32 -2.2 0 0.0 0 0.0 0 0.0 7 26
35 A 35 GLU E S S S- 0 0 -61.0 131.4 170.8 -122.8 74.5 106.1 0 0.0 0 0.0 0 0.0 0 0.0 9 31
36 A 36 GLU E - 0 0 -59.5 147.7 170.8 -109.9 33.2 112.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
37 A 37 PRO P S S S+ 0 0 -71.2 173.2 -177.1 14.5 93.9 103.8 0 0.0 39 -2.4 0 0.0 0 0.0 12 41
38 A 38 ASN N S t > > TS+ 0 0 60.1 -69.9 -176.4 78.2 110.1 112.3 20 -1.7 42 -3.0 0 0.0 41 -1.6 11 38
39 A 39 VAL V T T 4 3 TS+ 0 0 -35.1 -56.8 -178.9 38.5 98.6 41.1 37 -2.4 0 0.0 0 0.0 0 0.0 6 28
40 A 40 PRO P T T 4 3 TS+ 0 0 -68.7 -28.6 -169.9 38.9 126.1 38.5 0 0.0 0 0.0 0 0.0 0 0.0 8 31
41 A 41 CYS C T T 4 < TS+ 0 0 -90.8 -50.5 -179.1 168.5 71.3 26.2 38 -1.6 0 0.0 0 0.0 0 0.0 10 38
42 A 42 LEU L t < T - 0 0 27.7 76.9 174.3 -143.6 30.8 35.9 38 -3.0 44 -1.2 0 0.0 0 0.0 8 29
43 A 43 VAL V - 0 0 -62.8 98.0 -180.0 -162.3 10.4 120.5 0 0.0 0 0.0 0 0.0 0 0.0 9 34
44 A 44 ARG R S S S+ 0 0 -50.7 -40.7 178.6 72.2 82.8 32.1 42 -1.2 46 -2.4 0 0.0 0 0.0 4 21
45 A 45 VAL V + 0 0 -73.0 54.9 -174.9 159.5 63.0 105.8 0 0.0 47 -2.0 0 0.0 0 0.0 5 22
46 A 46 CYS C + 0 0 -81.2 49.8 175.7 153.7 13.7 101.3 44 -2.4 0 0.0 0 0.0 0 0.0 10 26
47 A 47 HIS H - 0 0 -74.0 145.4 177.7 -83.7 58.7 122.6 45 -2.0 16 -1.2 0 0.0 0 0.0 8 22
48 A 48 GLN Q S S S+ 0 0 -49.7 140.3 -177.2 117.0 78.3 100.2 0 0.0 0 0.0 0 0.0 0 0.0 10 26
49 A 49 ASP D E E AA - 13 0 -171.5 -155.6 169.8 -49.4 65.2 147.4 13 -2.6 13 -3.0 0 0.0 0 0.0 13 33
50 A 50 CYS C E E AA - 12 0 -97.0 153.2 174.1 -176.4 48.8 138.6 0 0.0 0 0.0 0 0.0 0 0.0 16 40
51 A 51 VAL V E E AA - 11 0 -140.8 158.4 169.9 -70.8 43.4 159.9 11 -2.8 11 -2.7 0 0.0 0 0.0 15 48
52 A 52 CYS C E E AA S- 10 0 -47.8 125.6 -175.7 -86.6 73.5 108.5 0 0.0 0 0.0 0 0.0 0 0.0 17 48
53 A 53 GLU E e > T - 0 0 -46.3 134.1 176.0 -106.9 38.2 95.4 9 -1.5 56 -2.2 0 0.0 55 -2.0 10 40
54 A 54 GLU E T T 3 TS+ 0 0 -62.6 80.5 -169.8 57.7 113.1 115.8 0 0.0 0 0.0 0 0.0 0 0.0 7 36
55 A 55 GLY G T T 3 TS+ 0 0 177.7 -39.8 -177.1 34.8 103.7 81.7 53 -2.0 0 0.0 0 0.0 0 0.0 4 31
56 A 56 PHE F S t < TS- 0 0 -131.5 -177.3 -174.9 -96.1 79.1 131.4 53 -2.2 0 0.0 0 0.0 0 0.0 11 37
57 A 57 TYR Y E E BB - 65 0 -107.3 139.8 169.1 -120.3 26.9 146.3 65 -2.8 65 -2.8 0 0.0 59 -0.8 15 47
58 A 58 ARG R E E BBa - 64 23 -74.7 110.9 169.6 -167.0 24.4 135.4 22 -2.5 24 -2.4 0 0.0 0 0.0 15 57
59 A 59 ASN N e - 0 0 -52.5 -62.2 -169.9 -55.0 64.0 11.2 63 -1.7 0 0.0 57 -0.8 0 0.0 14 55
60 A 60 LYS K S S S+ 0 0 -150.4 -91.9 -175.2 39.8 129.7 79.6 0 0.0 62 -2.4 0 0.0 0 0.0 9 55
61 A 61 ASP D S S S- 0 0 -79.6 57.0 -176.0 -81.1 123.3 107.7 0 0.0 0 0.0 0 0.0 0 0.0 6 48
62 A 62 ASP D S S S+ 0 0 40.8 46.1 169.6 152.7 81.0 36.0 60 -2.4 7 -1.6 0 0.0 64 -0.9 12 52
63 A 63 LYS K e - 0 0 -95.4 100.4 175.8 -140.0 42.1 151.5 0 0.0 59 -1.7 0 0.0 65 -0.5 13 46
64 A 64 CYS C E E BB + 58 0 -62.9 115.0 176.4 144.0 43.8 124.4 62 -0.9 0 0.0 0 0.0 0 0.0 13 45
65 A 65 VAL V E E BB - 57 0 -144.3 160.3 177.1 -83.3 55.9 158.5 57 -2.8 57 -2.8 63 -0.5 0 0.0 11 37
66 A 66 SER S h > > T - 0 0 -62.3 152.8 169.5 -117.4 36.2 111.9 0 0.0 70 -2.2 0 0.0 69 -1.1 8 33
67 A 67 ALA A H H > 3 TS+ 0 0 -52.9 -36.5 173.4 67.3 119.6 25.1 0 0.0 71 -2.9 0 0.0 0 0.0 10 43
68 A 68 GLU E H H 4 3 TS+ 0 0 -48.6 -44.1 175.9 42.0 103.7 28.9 0 0.0 0 0.0 0 0.0 0 0.0 7 29
69 A 69 ASP D H H > X TS+ 0 0 -68.5 -48.9 -177.8 56.4 110.5 20.3 66 -1.1 73 -2.9 0 0.0 72 -2.1 8 30
70 A 70 CYS C H H X 3 TS+ 0 0 -52.5 -42.5 176.6 59.4 99.6 28.2 66 -2.2 74 -0.8 0 0.0 0 0.0 13 40
71 A 71 GLU E H H < 3 TS+ 0 0 -59.4 -21.0 176.1 39.0 113.3 44.8 67 -2.9 0 0.0 0 0.0 0 0.0 8 33
72 A 72 LEU L H H 4 X TS+ 0 0 -94.7 -41.0 169.9 64.6 105.1 35.5 69 -2.1 75 -2.5 0 0.0 0 0.0 7 29
73 A 73 ASP D H H < > TS+ 0 0 -52.6 -15.3 169.2 95.4 75.8 50.9 69 -2.9 76 -2.5 0 0.0 0 0.0 10 34
74 A 74 ASN N G h < > T + 0 0 -48.7 -25.1 169.6 78.5 62.7 44.0 70 -0.8 77 -2.2 0 0.0 0 0.0 11 34
75 A 75 MET M G G < TS+ 0 0 -49.3 -39.8 170.5 39.9 100.7 26.0 72 -2.5 0 0.0 0 0.0 0 0.0 5 21
76 A 76 ASP D G G < TS- 0 0 -103.8 48.3 170.9 -127.2 119.1 113.5 73 -2.5 0 0.0 0 0.0 0 0.0 5 26
77 A 77 PHE F g < T - 0 0 8.2 101.8 172.3 -136.2 4.4 57.9 74 -2.2 79 -1.7 0 0.0 0 0.0 8 33
78 A 78 ILE I + 0 0 -73.8 88.0 -169.7 179.8 40.3 127.4 0 0.0 28 -2.8 0 0.0 0 0.0 15 47
79 A 79 TYR Y + 0 0 -109.5 83.1 168.4 166.1 30.1 136.7 77 -1.7 0 0.0 0 0.0 0 0.0 10 37
80 A 80 PRO P t > T + 0 0 -47.1 -60.0 172.6 145.6 29.4 15.0 0 0.0 84 -2.5 0 0.0 82 -1.8 9 38
81 A 81 GLY G T T 4 TS+ 0 0 61.5 -81.1 171.8 0.3 83.4 109.1 0 0.0 0 0.0 0 0.0 0 0.0 8 29
82 A 82 THR T T T 4 TS- 0 0 -92.7 -75.2 170.7 -51.3 138.1 35.6 80 -1.8 0 0.0 0 0.0 0 0.0 4 17
83 A 83 ARG R T T 4 TS+ 0 0 -163.4 59.0 172.6 124.6 93.6 100.6 0 0.0 0 0.0 0 0.0 0 0.0 7 28
84 A 84 ASN N t < T 0 0 -113.1 71.0 -171.5 999.9 999.9 134.2 80 -2.5 0 0.0 0 0.0 0 0.0 7 32
85 A 85 PRO P 0 0 -69.7 999.9 999.9 999.9 999.9 120.1 0 0.0 0 0.0 0 0.0 0 0.0 10 48
1couA.pdb
1COU BLOOD CLOTTING MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS SSSEEEESS S TTTTB SSSTT S SSTTT S SEEEE TTSEE SSS EE HHHHHHHGGG TTT Kabs/Sand
chirality +-++--++--+-+--+--+++--+--+-+++++--+++++--+++-+-----++----+-+-+--+++++++++--++++-+ chirality
bends SS SSS SS S SSS SSSSS S SSSSS S S S SSS SSS SSSSSSS SS SSS bends
turns TTTTTT TTTT TTTTT TTTT TTTTTTTTTTTT TTTTT turns
5-turns 5-turns
3-turns >3><3< >33< >33< >33< >33X33X>><<< 3-turns
bridge-2 a bridge-2
bridge-1 AAAA a AAAA BB BB bridge-1
sheets AAAA AAAA BB BB sheets
4-turns >444< >>4>X<4<< >444< 4-turns
summary SS SSeEEEESS StTTTTB SStTTt S StTTTt S SEEEEeTTtEEeSSSeEEhHHHHHHHhGGg tTTTt summary
sequence KATMQCGENEKYDSCGSKECDKKCKYDGVEEEDDEEPNVPCLVRVCHQDCVCEEGFYRNKDDKCVSAEDCELDNMDFIYPGTRNP sequence
10 20 30 40 50 60 70 80