Secondary structure calculation program - copyright by David Keith Smith, 1989
1jg5A.pdb
1JG5 PROTEIN BINDING MOL_ID: 1; MOL_ID: 1;
Sequence length - 83
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 PRO P e 0 0 999.9 147.1 -178.6 999.9 999.9 999.9 0 0.0 82 -1.6 0 0.0 0 0.0 5 22
2 A 2 TYR Y E E AA - 81 0 -110.6 163.2 -179.8 -158.5 999.9 134.0 0 0.0 0 0.0 0 0.0 0 0.0 7 31
3 A 3 LEU L E E AA - 80 0 -143.0 136.1 178.7 -159.9 1.9 177.9 80 -2.5 80 -3.2 0 0.0 0 0.0 9 47
4 A 4 LEU L E E AA + 79 0 -119.0 126.4 177.1 169.9 16.6 166.3 0 0.0 0 0.0 0 0.0 0 0.0 10 46
5 A 5 ILE I E E AA - 78 0 -130.9 154.7 -179.1 -179.9 7.0 161.2 78 -1.9 78 -2.7 0 0.0 0 0.0 11 59
6 A 6 SER S E E AAA - 77 17 -149.9 169.1 178.9 -168.0 14.6 162.7 17 -1.8 17 -2.4 0 0.0 0 0.0 12 47
7 A 7 THR T E E AA - 76 0 -156.3 150.1 178.4 -115.8 27.6 166.9 76 -1.8 76 -3.3 0 0.0 0 0.0 15 39
8 A 8 GLN Q E E AA - 75 0 -87.8 146.8 177.2 -62.1 59.5 131.6 0 0.0 0 0.0 0 0.0 0 0.0 8 31
9 A 9 ILE I S e S+ 0 0 -57.5 143.2 -0.2 65.1 113.6 114.9 74 -2.8 0 0.0 0 0.0 0 0.0 7 26
10 A 10 ARG R t > T - 0 0 -79.6 150.8 -177.9 -165.5 67.7 56.4 0 0.0 13 -0.9 0 0.0 0 0.0 6 23
11 A 11 MET M T T 3 TS+ 0 0 -76.5 -19.4 -178.0 77.8 74.4 46.0 0 0.0 0 0.0 0 0.0 0 0.0 10 31
12 A 12 GLU E T T 3 TS+ 0 0 -68.3 -12.5 -179.6 43.8 96.4 53.1 0 0.0 0 0.0 0 0.0 0 0.0 7 24
13 A 13 VAL V S t < TS- 0 0 -127.6 167.8 178.4 -118.0 79.9 145.2 10 -0.9 0 0.0 0 0.0 0 0.0 9 25
14 A 14 GLY G + 0 0 -93.8 -165.2 0.1 127.5 62.1 101.0 49 -0.6 0 0.0 0 0.0 0 0.0 11 32
15 A 15 PRO P - 0 0 -77.0 165.4 178.6 -167.4 48.9 55.9 0 0.0 0 0.0 0 0.0 0 0.0 10 38
16 A 16 THR T E E BB - 48 0 -119.1 130.8 178.3 -136.1 16.3 166.8 48 -2.9 48 -1.8 0 0.0 0 0.0 14 46
17 A 17 MET M E E BBA + 47 6 -85.0 132.6 -179.1 173.9 26.2 139.5 6 -2.4 6 -1.8 0 0.0 0 0.0 11 56
18 A 18 VAL V E E B* - 0 0 -121.3 1.5 179.5 -3.0 49.7 67.4 46 -2.5 0 0.0 0 0.0 0 0.0 14 58
19 A 19 GLY G E E BB - 46 0 176.0 163.2 179.2 -112.2 51.2 161.6 46 -1.1 46 -2.3 0 0.0 0 0.0 13 46
20 A 20 ASP D t > T - 0 0 -92.5 -174.8 -179.5 -80.1 58.9 103.0 0 0.0 23 -1.4 0 0.0 0 0.0 9 34
21 A 21 GLU E T T 3 TS+ 0 0 -60.2 -28.3 -178.0 46.4 129.0 41.7 0 0.0 0 0.0 0 0.0 0 0.0 9 28
22 A 22 HIS H T T 3 TS+ 0 0 -101.8 9.4 178.9 132.4 79.3 72.2 0 0.0 0 0.0 0 0.0 0 0.0 6 27
23 A 23 SER S S t < TS- 0 0 -58.2 151.7 179.1 -79.1 77.5 102.0 20 -1.4 0 0.0 0 0.0 0 0.0 8 32
24 A 24 ASP D h > T - 0 0 -54.2 117.2 -179.8 -149.3 41.7 111.0 0 0.0 28 -2.1 0 0.0 0 0.0 6 32
25 A 25 PRO P H H > TS+ 0 0 -64.5 -26.5 179.1 54.0 93.7 39.8 0 0.0 29 -1.3 0 0.0 0 0.0 7 25
26 A 26 GLU E H H > TS+ 0 0 -77.4 -31.8 179.4 47.8 109.4 34.6 0 0.0 30 -2.0 0 0.0 0 0.0 6 23
27 A 27 LEU L H H > TS+ 0 0 -73.3 -45.3 -179.9 52.1 109.0 23.3 0 0.0 31 -1.2 0 0.0 0 0.0 8 39
28 A 28 MET M H H < >TS+ 0 0 -58.1 -38.0 179.7 49.4 111.3 28.5 24 -2.1 33 -2.9 0 0.0 0 0.0 14 38
29 A 29 GLN Q H H < >5TS+ 0 0 -66.9 -47.1 179.4 57.4 104.2 20.3 25 -1.3 32 -2.2 0 0.0 0 0.0 9 28
30 A 30 GLN Q H H < 35TS+ 0 0 -54.6 -25.6 -178.9 48.2 108.8 40.9 26 -2.0 0 0.0 0 0.0 0 0.0 7 30
31 A 31 LEU L T h < 35TS- 0 0 -94.5 -3.9 -178.3 -114.6 115.2 61.3 27 -1.2 0 0.0 0 0.0 0 0.0 9 41
32 A 32 GLY G T T <5T + 0 0 73.4 32.3 -179.1 162.0 61.5 33.1 29 -2.2 0 0.0 0 0.0 0 0.0 7 34
33 A 33 ALA A t T - 0 0 -78.2 132.8 -179.9 -106.0 32.2 130.5 0 0.0 41 -1.9 0 0.0 0 0.0 6 20
39 A 39 LEU L T T 3 TS+ 0 0 -61.8 134.7 -178.2 39.1 108.1 110.6 0 0.0 0 0.0 0 0.0 0 0.0 5 10
40 A 40 GLY G T T 3 TS+ 0 0 109.6 -19.7 178.1 87.2 103.7 84.2 0 0.0 0 0.0 0 0.0 0 0.0 4 9
41 A 41 ASN N t < T - 0 0 -107.7 149.5 178.6 -154.4 64.9 145.5 38 -1.9 0 0.0 0 0.0 0 0.0 6 14
42 A 42 ASN N S S S+ 0 0 -120.1 47.5 178.2 69.9 70.4 108.8 0 0.0 0 0.0 0 0.0 0 0.0 6 13
43 A 43 PHE F S S S- 0 0 -157.1 152.2 178.9 -116.3 77.0 166.4 0 0.0 0 0.0 0 0.0 0 0.0 7 20
44 A 44 TYR Y - 0 0 -91.9 153.4 -178.1 -173.8 32.1 128.4 0 0.0 0 0.0 0 0.0 0 0.0 10 25
45 A 45 GLU E E E B C - 0 36 -144.1 160.0 176.7 -126.7 22.7 163.5 36 -2.4 36 -1.9 0 0.0 0 0.0 13 37
46 A 46 TYR Y E E BBC + 19 35 -108.8 140.2 -179.6 166.8 36.2 154.5 19 -2.3 18 -2.5 0 0.0 19 -1.1 14 41
47 A 47 TYR Y E E BBC - 17 34 -147.1 166.2 178.2 -160.2 22.4 160.5 34 -1.4 34 -2.0 0 0.0 0 0.0 13 47
48 A 48 VAL V E E BB - 16 0 -143.0 155.6 -179.1 -128.4 26.2 160.3 16 -1.8 16 -2.9 0 0.0 0 0.0 13 44
49 A 49 ASN N S S S+ 0 0 -86.5 -6.4 -179.1 109.0 74.8 56.9 0 0.0 14 -0.6 0 0.0 0 0.0 8 35
50 A 50 ASP D S S S- 0 0 -71.1 145.2 179.3 -108.5 77.3 112.4 0 0.0 0 0.0 0 0.0 0 0.0 10 33
51 A 51 PRO P h > > T - 0 0 -68.5 158.8 -179.9 -98.7 38.9 110.0 0 0.0 55 -1.5 0 0.0 54 -0.8 13 33
52 A 52 PRO P H H > 3 TS+ 0 0 -45.4 -47.6 -178.5 59.7 118.9 33.8 0 0.0 56 -2.7 0 0.0 0 0.0 13 47
53 A 53 ARG R H H > 3 TS+ 0 0 -52.9 -45.0 179.5 49.6 105.2 26.0 0 0.0 57 -2.0 0 0.0 0 0.0 7 37
54 A 54 ILE I H H > < TS+ 0 0 -61.3 -42.4 -179.4 48.3 112.1 26.1 51 -0.8 58 -2.1 0 0.0 0 0.0 8 34
55 A 55 VAL V H H X TS+ 0 0 -68.1 -37.5 -179.9 54.7 107.5 27.0 51 -1.5 59 -2.4 0 0.0 0 0.0 11 47
56 A 56 LEU L H H X TS+ 0 0 -61.5 -43.2 178.6 49.3 108.8 21.8 52 -2.7 60 -1.5 0 0.0 0 0.0 9 50
57 A 57 ASP D H H X TS+ 0 0 -61.4 -46.7 179.1 50.7 109.8 21.7 53 -2.0 61 -1.5 0 0.0 0 0.0 8 28
58 A 58 LYS K H H X TS+ 0 0 -58.9 -41.7 -179.3 51.5 109.3 23.0 54 -2.1 62 -0.6 0 0.0 0 0.0 9 36
59 A 59 LEU L H H < >>TS+ 0 0 -66.2 -28.6 178.4 60.5 101.3 37.3 55 -2.4 64 -2.7 0 0.0 62 -0.6 10 44
60 A 60 GLU E H H < >5TS+ 0 0 -63.8 -39.0 179.1 56.0 100.9 25.0 56 -1.5 63 -1.8 0 0.0 0 0.0 9 29
61 A 61 CYS C H H < 35TS+ 0 0 -65.0 -21.1 178.9 49.8 107.1 44.6 57 -1.5 0 0.0 0 0.0 0 0.0 7 21
62 A 62 ARG R T h < <5TS- 0 0 -101.2 11.7 178.4 -96.0 127.7 76.2 59 -0.6 0 0.0 58 -0.6 0 0.0 6 29
63 A 63 GLY G T T <5TS+ 0 0 90.9 7.6 179.5 132.2 79.8 56.6 60 -1.8 0 0.0 0 0.0 0 0.0 7 23
64 A 64 PHE F t T - 75 0 -151.3 116.3 -177.3 -32.5 69.8 154.4 75 -2.3 75 -2.2 0 0.0 74 -0.5 7 19
73 A 73 GLY G T T 3 TS- 0 0 71.1 -120.5 178.8 -35.9 125.2 126.5 0 0.0 0 0.0 0 0.0 0 0.0 4 14
74 A 74 GLN Q T e 3 TS+ 0 0 -119.8 17.3 -179.4 108.5 116.9 83.1 72 -0.5 9 -2.8 0 0.0 0 0.0 7 22
75 A 75 THR T E E AAD< T - 8 72 -99.8 132.8 176.2 -151.6 57.0 143.3 72 -2.2 72 -2.3 0 0.0 0 0.0 10 27
76 A 76 LEU L E E AAD - 7 71 -100.6 131.9 -179.9 -167.1 19.3 153.4 7 -3.3 7 -1.8 0 0.0 0 0.0 13 35
77 A 77 VAL V E E AAD - 6 70 -125.0 141.0 178.5 -164.9 9.8 164.7 70 -3.1 70 -2.3 0 0.0 0 0.0 12 40
78 A 78 TRP W E E AAD - 5 69 -123.6 136.0 178.0 -152.5 8.3 167.3 5 -2.7 5 -1.9 0 0.0 80 -0.6 12 41
79 A 79 CYS C E E AAD - 4 68 -109.7 116.3 179.6 -173.3 18.8 159.2 68 -2.7 67 -2.9 0 0.0 68 -1.2 12 37
80 A 80 LEU L E E AAD - 3 66 -110.0 155.7 -178.4 -164.9 3.0 141.6 3 -3.2 3 -2.5 78 -0.6 0 0.0 12 36
81 A 81 HIS H E E AAD - 2 65 -137.6 158.9 179.8 -174.2 8.8 159.0 65 -1.9 65 -2.2 0 0.0 0 0.0 11 30
82 A 82 LYS K e 0 0 -154.2 133.9 180.0 999.9 999.9 164.1 1 -1.6 0 0.0 0 0.0 0 0.0 8 23
83 A 83 GLU E 0 0 -58.1 999.9 999.9 999.9 999.9 27.0 0 0.0 0 0.0 0 0.0 0 0.0 3 16
1jg5A.pdb
1JG5 PROTEIN BINDING MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEES TTS EEEE TTS HHHHHHTT EEE TT SS EEEESS HHHHHHHHHHTT EEEEEEEETTEEEEEEE Kabs/Sand
chirality --+----+-++-+--+---++--++++++-+--+---++-+---+--+--++++++++++-+--+--+-+--+------- chirality
bends S SSS SSS SSSSSSS SS SS SS SSSSSSSSSSSS SS bends
turns TTTT TTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >>3<< >33< 3-turns
bridge-2 A A CCC DDDDDDD bridge-2
bridge-1 AAAAAAA BB*B CCC BBB DD*DDDDD AAAAAAA bridge-1
sheets AAAAAAA BBBB BBB BBBB AAAAAAAA AAAAAAA sheets
4-turns >>>><<<< >>>>XXXX<<<< 4-turns
summary eEEEEEEEetTTt EEEEtTTthHHHHHHhTtEEE tTTtSS EEEESShHHHHHHHHHHhTtEEEEEEEETeEEEEEEEe summary
sequence PYLLISTQIRMEVGPTMVGDEHSDPELMQQLGASKRRVLGNNFYEYYVNDPPRIVLDKLECRGFRVLSMTGVGQTLVWCLHKE sequence
10 20 30 40 50 60 70 80