Secondary structure calculation program - copyright by David Keith Smith, 1989
1jv8A.pdb
1JV8 BLOOD CLOTTING MOL_ID: 1; MOL_ID: 1;
Sequence length - 58
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 ARG R 0 0 999.9 165.5 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 24
2 A 2 PRO P - 0 0 -66.1 165.9 -180.0 -135.7 999.9 97.4 0 0.0 0 0.0 0 0.0 0 0.0 7 28
3 A 3 ASP D S t > TS+ 0 0 -99.4 -18.6 -179.8 74.8 94.5 48.9 0 0.0 7 -1.2 0 0.0 0 0.0 6 27
4 A 4 PHE F T T 4 TS+ 0 0 -66.1 -21.2 178.7 50.9 97.7 36.6 0 0.0 0 0.0 0 0.0 0 0.0 8 32
5 A 5 CYS C T T 4 TS+ 0 0 -85.3 -22.0 179.4 60.9 101.4 41.8 0 0.0 25 -0.6 0 0.0 0 0.0 13 42
6 A 6 LEU L T T 4 TS+ 0 0 -74.1 -24.4 179.3 78.1 95.5 37.2 0 0.0 0 0.0 0 0.0 0 0.0 9 32
7 A 7 GLU E S t < TS- 0 0 -79.7 164.0 179.8 -95.7 94.9 112.0 3 -1.2 0 0.0 0 0.0 0 0.0 10 32
8 A 8 PRO P - 0 0 -74.0 167.4 179.9 -89.9 47.0 104.0 0 0.0 0 0.0 0 0.0 0 0.0 9 34
9 A 9 PRO P - 0 0 -70.2 172.3 -179.8 -139.3 32.6 97.0 0 0.0 0 0.0 0 0.0 0 0.0 11 42
10 A 10 TYR Y - 0 0 -140.8 93.6 178.8 -171.1 15.4 137.6 0 0.0 0 0.0 0 0.0 0 0.0 11 37
11 A 11 THR T - 0 0 -52.7 -23.1 179.8 -164.5 38.9 36.2 0 0.0 0 0.0 0 0.0 0 0.0 10 32
12 A 12 GLY G - 0 0 65.5 -170.2 180.0 -43.8 31.8 97.5 0 0.0 0 0.0 0 0.0 0 0.0 10 27
13 A 13 PRO P S S S+ 0 0 -72.7 -155.6 -179.9 60.7 102.7 73.8 0 0.0 0 0.0 0 0.0 0 0.0 7 17
14 A 14 CYS C S S S- 0 0 62.3 -168.7 -179.6 -104.9 85.9 96.1 0 0.0 0 0.0 0 0.0 0 0.0 7 15
15 A 15 LYS K + 0 0 -142.4 20.8 179.9 145.2 61.1 82.2 0 0.0 0 0.0 0 0.0 0 0.0 5 18
16 A 16 ALA A - 0 0 -55.2 167.9 179.9 -148.7 37.7 92.0 36 -0.6 0 0.0 0 0.0 0 0.0 7 19
17 A 17 ARG R + 0 0 -142.4 69.2 -179.9 146.2 35.4 118.4 0 0.0 0 0.0 0 0.0 0 0.0 7 23
18 A 18 ILE I E E AA - 35 0 -107.3 148.6 179.8 -128.7 48.4 144.1 35 -1.0 35 -1.9 0 0.0 20 -1.3 9 28
19 A 19 ILE I E E AA + 34 0 -94.3 78.5 -179.9 164.2 44.5 126.9 0 0.0 0 0.0 0 0.0 0 0.0 9 30
20 A 20 ARG R E E AA - 33 0 -83.5 -176.5 -179.5 -107.7 34.9 99.9 18 -1.3 33 -1.7 33 -1.1 0 0.0 12 39
21 A 21 TYR Y E E AAA + 32 45 -118.5 144.5 178.4 174.3 33.7 156.4 45 -4.0 45 -4.2 0 0.0 0 0.0 15 45
22 A 22 PHE F E E AA - 31 0 -139.4 163.4 -178.8 -101.8 36.5 158.0 31 -2.4 31 -2.6 0 0.0 24 -0.7 15 49
23 A 23 TYR Y E E AA - 30 0 -93.4 117.2 178.4 -157.9 24.2 140.4 0 0.0 25 -1.2 0 0.0 0 0.0 17 46
24 A 24 ASN N e > > T - 0 0 -91.1 92.2 -179.2 -162.5 1.2 134.6 29 -1.9 27 -3.2 22 -0.7 28 -1.9 13 37
25 A 25 ALA A T T 4 3 TS+ 0 0 -44.6 -29.5 179.5 56.2 94.3 33.1 23 -1.2 0 0.0 5 -0.6 0 0.0 10 31
26 A 26 LYS K T T 4 3 TS+ 0 0 -75.2 -23.9 179.9 44.2 109.6 38.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
27 A 27 ALA A T T 4 < TS- 0 0 -93.0 -16.8 -179.9 -130.3 103.4 48.4 24 -3.2 0 0.0 0 0.0 0 0.0 7 25
28 A 28 GLY G S t < TS+ 0 0 83.1 -5.7 179.9 37.5 86.3 65.4 24 -1.9 0 0.0 0 0.0 0 0.0 8 29
29 A 29 LEU L S e S- 0 0 -145.8 -143.4 -179.7 -61.8 100.6 119.7 0 0.0 24 -1.9 0 0.0 0 0.0 11 37
30 A 30 CYS C E E AA - 23 0 -117.4 163.3 179.1 -171.3 36.7 142.0 0 0.0 0 0.0 0 0.0 0 0.0 13 43
31 A 31 GLN Q E E AA - 22 0 -143.8 166.6 -179.6 -90.4 33.7 158.3 22 -2.6 22 -2.4 0 0.0 0 0.0 9 38
32 A 32 THR T E E AA + 21 0 -83.0 144.3 179.4 168.1 47.9 125.8 0 0.0 0 0.0 0 0.0 0 0.0 8 36
33 A 33 PHE F E E AA - 20 0 -145.4 171.7 -179.2 -84.1 41.8 155.8 20 -1.7 20 -1.1 0 0.0 35 -0.6 11 37
34 A 34 VAL V E E AA - 19 0 -85.7 122.5 -179.9 -159.6 42.2 134.6 0 0.0 0 0.0 0 0.0 0 0.0 11 33
35 A 35 TYR Y E E AA - 18 0 -99.8 148.9 -179.0 -151.7 15.5 136.6 18 -1.9 18 -1.0 33 -0.6 0 0.0 15 33
36 A 36 GLY G - 0 0 -96.9 -3.9 179.8 -128.5 32.4 59.4 0 0.0 16 -0.6 0 0.0 0 0.0 15 28
37 A 37 ALA A S S S+ 0 0 72.4 -2.8 179.9 76.3 83.9 61.1 0 0.0 0 0.0 0 0.0 0 0.0 10 27
38 A 38 CYS C S S S+ 0 0 -139.8 152.5 -180.0 9.6 94.4 169.0 0 0.0 0 0.0 0 0.0 0 0.0 8 24
39 A 39 ARG R S S S- 0 0 49.0 43.0 -179.8 -177.0 82.0 24.9 0 0.0 0 0.0 0 0.0 0 0.0 7 22
40 A 40 ALA A - 0 0 -70.8 149.9 179.5 -146.0 12.1 112.5 0 0.0 0 0.0 0 0.0 0 0.0 12 33
41 A 41 LYS K - 0 0 -101.1 -164.4 179.8 -88.2 34.6 103.0 0 0.0 0 0.0 0 0.0 0 0.0 8 34
42 A 42 ARG R S S S+ 0 0 -82.8 -12.8 179.8 73.4 116.7 49.3 0 0.0 44 -0.8 0 0.0 0 0.0 7 42
43 A 43 ASN N S S S+ 0 0 -95.5 54.1 -179.8 85.8 78.1 108.5 0 0.0 0 0.0 0 0.0 0 0.0 15 50
44 A 44 ASN N + 0 0 -152.7 84.9 -179.2 170.0 51.8 127.2 42 -0.8 0 0.0 0 0.0 0 0.0 13 48
45 A 45 PHE F B B A - 21 0 -98.5 154.7 -179.4 -136.3 35.3 132.2 21 -4.2 21 -4.0 0 0.0 0 0.0 11 43
46 A 46 LYS K S S S+ 0 0 -81.7 -18.6 -180.0 26.0 89.4 44.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
47 A 47 SER S S h > > TS- 0 0 -142.2 155.7 179.6 -118.5 77.9 168.5 0 0.0 51 -1.5 0 0.0 50 -0.7 8 28
48 A 48 ALA A H H > 3 TS+ 0 0 -62.7 -28.5 179.6 55.0 118.2 32.8 0 0.0 52 -2.1 0 0.0 0 0.0 10 31
49 A 49 GLU E H H > 3 TS+ 0 0 -75.9 -23.8 179.0 56.8 102.2 38.3 0 0.0 53 -2.0 0 0.0 0 0.0 6 24
50 A 50 ASP D H H > < TS+ 0 0 -74.3 -34.0 178.8 46.4 108.9 28.7 47 -0.7 54 -0.6 0 0.0 0 0.0 9 28
51 A 51 CYS C H H X > TS+ 0 0 -71.7 -48.5 -179.5 49.3 112.5 18.3 47 -1.5 55 -3.7 0 0.0 54 -0.8 16 41
52 A 52 MET M H H X 3 TS+ 0 0 -56.0 -57.5 179.9 56.0 104.9 12.0 48 -2.1 56 -2.4 0 0.0 0 0.0 11 34
53 A 53 ARG R H H < 3 TS+ 0 0 -47.3 -24.0 -179.6 31.7 122.9 37.6 49 -2.0 0 0.0 0 0.0 0 0.0 7 26
54 A 54 THR T H H < < TS+ 0 0 -99.5 -63.7 -179.3 14.7 139.6 29.3 51 -0.8 0 0.0 50 -0.6 0 0.0 8 32
55 A 55 CYS C H H < TS+ 0 0 -103.7 34.1 -180.0 122.6 85.8 93.1 51 -3.7 57 -0.8 0 0.0 0 0.0 12 37
56 A 56 GLY G h < T + 0 0 -87.2 44.9 180.0 112.9 35.7 99.1 52 -2.4 0 0.0 0 0.0 0 0.0 9 32
57 A 57 GLY G 0 0 -110.1 50.4 -179.9 999.9 999.9 107.6 55 -0.8 0 0.0 0 0.0 0 0.0 6 25
58 A 58 ALA A 0 0 -123.3 999.9 999.9 999.9 999.9 96.9 0 0.0 0 0.0 0 0.0 0 0.0 6 22
1jv8A.pdb
1JV8 BLOOD CLOTTING MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand STTTS SS EEEEEE TTTSSEEEEEE SSS SS BSSHHHHHHHH Kabs/Sand
chirality -++++------+-+-+-+-+---++-+---+----++---+++-+-+++++++++ chirality
bends SSSSS SS SSSSS SSS SS SSSSSSSSSS bends
turns TTTTT TTTTT TTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33<>33< 3-turns
bridge-2 A bridge-2
bridge-1 AAAAAA AAAAAA A bridge-1
sheets AAAAAA AAAAAA sheets
4-turns >444< >444< >>>>XX<<<< 4-turns
summary tTTTt SS EEEEEEeTTTteEEEEEE SSS SS BShHHHHHHHHh summary
sequence RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGACRAKRNNFKSAEDCMRTCGGA sequence
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