Secondary structure calculation program - copyright by David Keith Smith, 1989
1mut-.pdb
1MUT DNA REPAIR MOL_ID: 1; MOL_ID: 1;
Sequence length - 129
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 1 MET M 0 0 999.9 48.6 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 13
2 2 LYS K e - 0 0 -118.3 162.3 180.0 -108.5 999.9 143.4 0 0.0 79 -0.9 0 0.0 4 -0.6 5 15
3 3 LYS K E E Aa - 79 0 -92.6 119.1 -179.8 -175.2 36.1 141.7 0 0.0 0 0.0 0 0.0 0 0.0 8 20
4 4 LEU L E E Aa + 80 0 -116.4 128.6 180.0 173.2 6.5 160.9 79 -1.4 81 -2.0 2 -0.6 0 0.0 7 25
5 5 GLN Q E E Aa - 81 0 -137.9 119.5 -179.8 -175.4 5.4 162.1 0 0.0 40 -1.2 0 0.0 0 0.0 10 36
6 6 ILE I e - 0 0 -102.5 179.7 179.6 -136.8 17.5 116.7 81 -1.5 0 0.0 0 0.0 0 0.0 11 42
7 7 ALA A + 0 0 -142.4 108.2 -179.4 173.5 25.3 151.8 0 0.0 0 0.0 0 0.0 0 0.0 13 50
8 8 VAL V e - 0 0 -113.1 164.2 179.2 -165.6 12.4 138.1 0 0.0 85 -0.6 0 0.0 0 0.0 16 65
9 9 GLY G E E Bb - 85 0 -149.7 120.6 -179.5 -158.2 6.1 158.5 0 0.0 0 0.0 0 0.0 0 0.0 14 65
10 10 ILE I E E Bb - 86 0 -99.0 152.9 179.4 -148.9 9.7 135.4 85 -0.7 87 -1.5 0 0.0 0 0.0 14 66
11 11 ILE I e + 0 0 -120.6 153.4 -179.7 177.8 15.2 152.2 0 0.0 19 -1.5 0 0.0 0 0.0 12 62
12 12 ARG R E E CC + 18 0 -155.8 114.1 179.7 110.6 26.1 147.0 0 0.0 0 0.0 0 0.0 0 0.0 12 47
13 13 ASN N E E >CC T + 17 0 -158.8 -159.6 -179.8 75.1 37.0 143.8 17 -1.6 15 -2.5 0 0.0 17 -1.7 10 37
14 14 GLU E T T 4 TS- 0 0 77.9 -72.5 179.7 -35.7 125.3 116.5 0 0.0 0 0.0 0 0.0 0 0.0 6 28
15 15 ASN N T T 4 TS- 0 0 -147.4 -47.3 179.8 -38.9 119.9 68.1 13 -2.5 0 0.0 0 0.0 0 0.0 5 21
16 16 ASN N T e 4 TS+ 0 0 179.2 35.4 -179.5 127.0 94.1 83.3 0 0.0 107 -0.8 0 0.0 0 0.0 10 27
17 17 GLU E E E TS- 0 0 -144.4 179.5 -178.9 -88.4 91.1 148.6 0 0.0 49 -1.3 0 0.0 0 0.0 6 26
46 46 PRO P T T 4 TS+ 0 0 -72.9 1.6 179.6 31.1 127.0 64.6 0 0.0 0 0.0 0 0.0 0 0.0 7 36
47 47 GLU E T h > >TS+ 0 0 -124.0 -51.9 178.5 57.1 111.5 50.8 0 0.0 51 -2.6 0 0.0 52 -0.6 8 35
48 48 GLN Q H H > 5TS+ 0 0 -49.6 -34.8 -178.7 53.4 110.1 29.4 0 0.0 52 -1.1 0 0.0 0 0.0 9 27
49 49 ALA A H H X 5TS+ 0 0 -67.6 -60.7 -179.1 20.6 123.8 9.1 45 -1.3 53 -1.3 0 0.0 0 0.0 14 35
50 50 VAL V H H > 5TS+ 0 0 -75.9 -48.0 179.2 64.7 117.7 19.4 0 0.0 54 -1.7 0 0.0 0 0.0 13 49
51 51 VAL V H H X 5TS+ 0 0 -39.5 -48.9 179.5 37.3 112.2 26.0 47 -2.6 55 -0.6 0 0.0 0 0.0 8 44
52 52 ARG R H H X TS+ 0 0 -60.4 -64.6 179.7 15.0 112.2 4.1 50 -1.7 59 -1.4 0 0.0 58 -1.2 11 47
55 55 GLN Q H H < 5TS+ 0 0 -81.8 -25.8 -179.8 68.7 121.1 38.8 51 -0.6 0 0.0 0 0.0 0 0.0 10 32
56 56 GLU E T h < 5TS+ 0 0 -81.6 32.1 179.8 31.3 111.4 87.0 52 -2.2 0 0.0 0 0.0 0 0.0 7 32
57 57 GLU E T T 4 5TS- 0 0 -147.0 -67.8 179.6 -13.7 140.1 71.2 0 0.0 0 0.0 0 0.0 0 0.0 8 37
58 58 VAL V T T < 5TS- 0 0 -114.3 -46.6 178.3 -126.0 81.0 43.0 54 -1.2 0 0.0 0 0.0 0 0.0 9 34
59 59 GLY G t T - 0 0 -128.6 -171.0 179.9 -85.8 42.4 129.0 0 0.0 115 -0.9 0 0.0 0 0.0 12 34
112 112 ALA A T T 4 TS+ 0 0 -76.0 -9.3 -179.9 78.5 114.4 51.0 0 0.0 0 0.0 0 0.0 0 0.0 12 30
113 113 ASP D T T 4 TS+ 0 0 -62.8 -56.7 179.8 25.9 106.7 9.8 0 0.0 0 0.0 0 0.0 0 0.0 6 28
114 114 ASP D T T 4 TS+ 0 0 -81.3 -13.6 179.5 87.0 110.5 48.2 0 0.0 33 -1.0 0 0.0 0 0.0 9 37
115 115 PHE F S t < TS- 0 0 -90.6 110.6 -179.5 -123.3 88.4 140.7 111 -0.9 0 0.0 0 0.0 0 0.0 12 40
116 116 PRO P t > T - 0 0 -51.0 141.2 -179.0 -91.1 37.7 99.1 0 0.0 119 -0.7 0 0.0 0 0.0 10 30
117 117 PRO P T T 3 TS+ 0 0 -59.3 126.5 180.0 74.0 103.1 110.4 0 0.0 0 0.0 0 0.0 0 0.0 6 25
118 118 ALA A T T 3 TS+ 0 0 153.0 -18.4 -179.9 63.8 84.2 83.1 0 0.0 0 0.0 0 0.0 0 0.0 4 32
119 119 ASN N h > < T + 0 0 -123.3 48.5 -179.0 135.5 55.9 108.5 116 -0.7 123 -2.2 0 0.0 0 0.0 10 39
120 120 GLU E H H > T + 0 0 -66.0 -35.9 -178.1 64.2 63.9 32.0 0 0.0 124 -1.7 0 0.0 0 0.0 8 33
121 121 PRO P H H 4 TS+ 0 0 -60.6 -35.1 -180.0 18.8 121.7 32.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
122 122 VAL V H H > > TS+ 0 0 -102.7 -46.7 179.0 58.3 121.2 34.0 0 0.0 126 -2.3 0 0.0 125 -1.2 11 39
123 123 ILE I H H X 3 TS+ 0 0 -50.1 -38.3 179.4 64.9 98.5 26.2 119 -2.2 127 -1.1 0 0.0 0 0.0 11 39
124 124 ALA A H H < > TS+ 0 0 -52.1 -44.4 179.8 41.0 107.0 21.0 120 -1.7 127 -0.5 0 0.0 0 0.0 10 27
125 125 LYS K H H 4 X TS+ 0 0 -71.1 -42.6 -180.0 58.0 109.0 22.2 122 -1.2 128 -1.2 0 0.0 0 0.0 8 29
126 126 LEU L H H < 3 TS+ 0 0 -63.0 -9.7 179.5 85.9 85.8 49.2 122 -2.3 0 0.0 0 0.0 0 0.0 11 43
127 127 LYS K T h < < TS+ 0 0 -56.8 -48.7 179.3 29.6 101.3 16.1 123 -1.1 0 0.0 124 -0.5 0 0.0 10 25
128 128 ARG R t < T 0 0 -89.3 1.0 -180.0 999.9 999.9 63.2 125 -1.2 0 0.0 0 0.0 0 0.0 7 22
129 129 LEU L 0 0 -40.1 999.9 999.9 999.9 999.9 43.0 0 0.0 0 0.0 0 0.0 0 0.0 7 37
1mut-.pdb
1MUT DNA REPAIR MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEE EE EETTTEEEEEE SS SSS EE SSS SSTTHHHHHHHHTTT SS EE B SS EEE EEEEE SS SS Kabs/Sand
chirality --+--+---+++--+--+-+---++-+---++--+---+++-+-+++++++++++--+-++-++-+---------+--++--+----+-+---++-++- chirality
bends SSS SS SSS SSS SSSSSSSSSSSSSSS SS SS SS SS bends
turns TTTTT TTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns 3-turns
bridge-2 DDDD A bridge-2
bridge-1 aaa bb CC CC EE EE FF A aaa bbF*F bridge-1
sheets AAA BB CC CCCCCC CC BB AAA BBBBB sheets
4-turns >444< >4>>X>XX33< >3>X3<< 3-turns
bridge-2 bridge-2
bridge-1 DDDD bridge-1
sheets CCCC sheets
4-turns >444< >>4>X<4<< 4-turns
summary EEEEeSS tTTTttTThHHHHHHHht summary
sequence PGEWMSLVGLNADDFPPANEPVIAKLKRL sequence
110 120