Secondary structure calculation program - copyright by David Keith Smith, 1989
1kn6A.pdb
1KN6 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 73
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 4 PHE F 0 0 999.9 79.2 179.2 999.9 999.9 999.9 0 0.0 50 -2.2 0 0.0 49 -1.2 9 21
2 A 5 VAL V - 0 0 -129.4 -86.1 178.5 -90.9 999.9 64.9 73 -0.7 0 0.0 0 0.0 0 0.0 13 28
3 A 6 ASN N + 0 0 158.0 129.8 178.9 175.1 33.9 118.3 0 0.0 0 0.0 0 0.0 0 0.0 12 39
4 A 7 GLU E - 0 0 -150.3 94.8 -178.2 -162.9 15.1 140.4 72 -0.7 6 -0.8 0 0.0 0 0.0 10 42
5 A 8 TRP W E E AA - 40 0 -88.1 111.3 179.3 -173.6 10.1 138.1 40 -1.9 40 -1.0 0 0.0 0 0.0 11 49
6 A 9 ALA A E E AAB + 39 70 -107.3 129.6 -179.3 160.3 12.0 153.2 70 -1.3 70 -1.1 4 -0.8 0 0.0 13 46
7 A 10 ALA A E E AAB - 38 69 -150.1 144.6 178.4 -133.2 34.4 175.3 38 -0.6 38 -3.0 0 0.0 9 -0.6 12 47
8 A 11 GLU E E E AAB + 37 68 -100.5 122.2 -179.1 172.5 28.9 149.5 68 -0.5 68 -1.2 0 0.0 0 0.0 11 40
9 A 12 ILE I e - 0 0 -135.6 116.0 -178.2 -163.7 19.9 164.6 36 -2.4 0 0.0 7 -0.6 0 0.0 14 40
10 A 13 PRO P S S S- 0 0 -62.9 -52.1 -176.8 -0.5 88.1 22.9 0 0.0 0 0.0 0 0.0 0 0.0 10 29
11 A 14 GLY G S t > TS+ 0 0 -120.2 -12.2 -179.7 93.8 102.8 55.8 0 0.0 14 -0.6 0 0.0 0 0.0 7 27
12 A 15 GLY G T h > 3 T + 0 0 -70.4 26.2 -179.7 120.2 52.1 81.8 0 0.0 16 -3.9 0 0.0 0 0.0 10 38
13 A 16 GLN Q H H > 3 TS+ 0 0 -53.5 -61.2 179.7 45.1 73.8 14.5 0 0.0 17 -2.3 0 0.0 0 0.0 10 40
14 A 17 GLU E H H 4 < TS+ 0 0 -53.6 -29.8 179.7 46.0 119.3 36.3 11 -0.6 0 0.0 0 0.0 0 0.0 7 32
15 A 18 ALA A H H > TS+ 0 0 -80.5 -40.6 179.6 57.2 106.7 28.8 0 0.0 19 -2.7 0 0.0 0 0.0 8 42
16 A 19 ALA A H H X TS+ 0 0 -54.4 -54.9 179.1 39.4 113.0 17.4 12 -3.9 20 -1.5 0 0.0 0 0.0 12 48
17 A 20 SER S H H X TS+ 0 0 -66.6 -24.3 -180.0 57.9 114.6 40.5 13 -2.3 21 -1.0 0 0.0 0 0.0 10 42
18 A 21 ALA A H H > TS+ 0 0 -74.9 -35.3 179.9 56.2 99.7 32.7 0 0.0 22 -2.7 0 0.0 0 0.0 8 36
19 A 22 ILE I H H X >TS+ 0 0 -60.9 -54.4 179.8 51.6 104.2 14.3 15 -2.7 23 -3.4 0 0.0 24 -0.7 13 43
20 A 23 ALA A H H X >TS+ 0 0 -49.8 -38.9 180.0 39.9 118.2 30.8 16 -1.5 25 -3.3 0 0.0 24 -0.7 12 44
21 A 24 GLU E H H < 5TS+ 0 0 -80.9 -32.1 -178.9 52.2 115.4 37.5 17 -1.0 0 0.0 0 0.0 0 0.0 9 29
22 A 25 GLU E H H < 5TS+ 0 0 -71.8 -45.9 -179.6 19.2 127.0 23.5 18 -2.7 0 0.0 0 0.0 0 0.0 7 30
23 A 26 LEU L H H < 5TS- 0 0 -90.6 -52.3 179.8 -95.2 117.4 25.0 19 -3.4 0 0.0 0 0.0 0 0.0 10 32
24 A 27 GLY G T h < T + 0 0 -104.9 -51.9 180.0 50.5 64.7 35.7 0 0.0 57 -2.2 0 0.0 0 0.0 5 33
55 A 58 HIS H T T 3 TS+ 0 0 -62.4 -16.9 179.8 65.6 103.6 46.9 0 0.0 0 0.0 0 0.0 0 0.0 7 31
56 A 59 ILE I T T 3 TS+ 0 0 -88.4 10.2 179.7 79.1 82.4 73.2 0 0.0 0 0.0 0 0.0 0 0.0 10 44
57 A 60 THR T S t < TS+ 0 0 -106.6 30.8 179.9 46.7 93.3 93.1 54 -2.2 0 0.0 0 0.0 0 0.0 8 38
58 A 61 LYS K S h > TS+ 0 0 -129.4 -78.3 179.9 24.5 117.5 60.0 0 0.0 62 -2.1 0 0.0 0 0.0 8 28
59 A 62 ARG R H H > TS+ 0 0 -71.9 -9.1 179.4 68.1 117.6 53.5 0 0.0 63 -1.5 0 0.0 0 0.0 11 40
60 A 63 LEU L H H > TS+ 0 0 -72.5 -63.9 179.4 26.8 110.7 8.8 0 0.0 64 -2.0 0 0.0 0 0.0 10 50
61 A 64 SER S H H > TS+ 0 0 -66.5 -37.6 178.6 58.1 121.3 26.9 0 0.0 65 -0.6 0 0.0 0 0.0 9 35
62 A 65 ASP D H H < > TS+ 0 0 -56.7 -45.1 178.9 33.6 116.7 22.2 58 -2.1 65 -0.6 0 0.0 0 0.0 7 32
63 A 66 ASP D H H < > TS+ 0 0 -81.8 -22.1 -179.6 82.2 100.6 44.9 59 -1.5 66 -1.8 0 0.0 0 0.0 11 41
64 A 67 ASP D H H < > T + 0 0 -56.5 -16.4 -179.7 97.5 61.1 48.8 60 -2.0 67 -1.7 0 0.0 0 0.0 12 40
65 A 68 ARG R T h < < T + 0 0 -45.3 -26.3 179.5 82.0 63.5 40.1 62 -0.6 0 0.0 61 -0.6 0 0.0 7 28
66 A 69 VAL V T T < TS- 0 0 -44.9 -55.7 -179.1 -61.8 123.6 24.1 63 -1.8 0 0.0 0 0.0 0 0.0 10 30
67 A 70 THR T S t < TS- 0 0 -158.7 -74.1 179.6 -11.6 99.3 83.3 64 -1.7 0 0.0 0 0.0 0 0.0 8 28
68 A 71 TRP W E E AB - 8 0 -150.7 145.4 -179.0 -172.6 46.0 176.6 8 -1.2 8 -0.5 0 0.0 0 0.0 9 31
69 A 72 ALA A E E AB + 7 0 -141.8 127.1 179.7 162.4 12.5 170.0 0 0.0 0 0.0 0 0.0 0 0.0 11 43
70 A 73 GLU E E E AB - 6 0 -146.0 145.4 -179.6 -130.2 27.2 177.0 6 -1.1 6 -1.3 0 0.0 0 0.0 7 35
71 A 74 GLN Q - 0 0 -91.2 164.2 -179.9 -160.8 13.8 118.3 0 0.0 0 0.0 0 0.0 0 0.0 8 40
72 A 75 GLN Q 0 0 -151.3 105.8 179.7 999.9 999.9 144.0 0 0.0 4 -0.7 0 0.0 0 0.0 7 33
73 A 76 TYR Y 0 0 -89.1 999.9 999.9 999.9 999.9 25.4 0 0.0 2 -0.7 0 0.0 0 0.0 6 28
1kn6A.pdb
1KN6 HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEE SSTHHHHHHHHHHHT EE SSSS EEEEE S SSS TTSSHHHHHHTTSEEE Kabs/Sand
chirality -+--+-+--++++++++++++-+--++++-++-+++---++-+++-++-+++++++++++++++---+-- chirality
bends SS SSSSSSSSSSSS SSSS S SSS SSSSSSSSS SS bends
turns TTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns >>555<< 5-turns
3-turns >33< >33< >>><<< 3-turns
bridge-2 BBB CC bridge-2
bridge-1 AAAA CC AAAA BBB bridge-1
sheets AAAA AA AAAAA AAA sheets
4-turns >>4>XX>XX<<<< >>>><<<< 4-turns
summary EEEEeSthHHHHHHHHHHHhtEEe SSSSeEEEEE S SSS tTTthHHHHHHhTtEEE summary
sequence FVNEWAAEIPGGQEAASAIAEELGYDLLGQIGSLENHYLFKHKSHPRRSRRSALHITKRLSDDDRVTWAEQQY sequence
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