Secondary structure calculation program - copyright by David Keith Smith, 1989
1mph-.pdb
1MPH SIGNAL TRANSDUCTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 106
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 e 0 0 999.9 79.3 179.9 999.9 999.9 999.9 0 0.0 30 -2.2 0 0.0 0 0.0 5 35
2 2 GLU E E E AA + 29 0 -136.4 157.1 179.5 122.3 999.9 160.5 0 0.0 0 0.0 0 0.0 0 0.0 8 37
3 3 GLY G E E AA - 28 0 167.2 174.6 179.8 -61.2 56.2 160.6 28 -1.8 28 -2.7 0 0.0 0 0.0 9 39
4 4 PHE F E E AA + 27 0 -82.2 146.7 -179.8 173.3 48.4 122.5 0 0.0 0 0.0 0 0.0 0 0.0 9 39
5 5 LEU L E E AA - 26 0 -152.9 146.4 176.8 -117.2 34.8 170.9 26 -2.6 26 -2.2 0 0.0 0 0.0 11 49
6 6 ASN N E E AAB - 25 89 -86.2 125.1 -176.8 -162.8 36.4 137.5 89 -2.0 89 -2.2 0 0.0 0 0.0 12 43
7 7 ARG R E E AAB - 24 88 -120.5 127.3 177.5 -179.2 15.0 164.5 24 -3.2 24 -2.8 0 0.0 0 0.0 13 52
8 8 LYS K E E AAB - 23 87 -123.0 124.1 -179.1 -136.9 23.5 170.4 87 -2.2 87 -3.0 0 0.0 10 -0.8 11 42
9 9 HIS H E E A B + 0 86 -87.0 111.4 179.0 176.4 22.7 137.3 22 -0.6 0 0.0 0 0.0 0 0.0 13 40
10 10 GLU E E E A * S+ 0 0 -77.2 -40.2 178.4 8.2 82.6 28.8 85 -1.3 0 0.0 8 -0.8 0 0.0 10 36
11 11 TRP W E E A B S+ 0 85 -146.7 116.0 -179.1 133.6 76.1 159.7 85 -1.5 85 -2.0 0 0.0 0 0.0 12 28
12 12 GLU E + 0 0 -164.3 70.2 179.2 45.0 66.5 110.1 0 0.0 0 0.0 0 0.0 0 0.0 11 34
13 13 ALA A S S S- 0 0 155.6 41.2 178.0 -98.7 103.4 70.1 0 0.0 15 -3.3 0 0.0 0 0.0 7 21
14 14 HIS H S S S+ 0 0 62.7 -60.1 -177.6 110.8 89.9 104.4 0 0.0 0 0.0 0 0.0 0 0.0 7 17
15 15 ASN N S t > TS- 0 0 -49.1 146.9 -179.5 -80.9 92.3 93.2 13 -3.3 18 -2.3 0 0.0 0 0.0 8 15
16 16 LYS K T T 3 TS- 0 0 -11.7 -66.3 -179.6 -7.1 118.0 53.4 0 0.0 0 0.0 0 0.0 0 0.0 5 16
17 17 LYS K T T 3 TS- 0 0 -141.4 52.0 178.9 -83.6 113.7 106.6 0 0.0 0 0.0 0 0.0 0 0.0 9 20
18 18 ALA A t < T - 0 0 69.0 171.2 179.7 -96.7 39.4 82.5 15 -2.3 0 0.0 0 0.0 0 0.0 12 21
19 19 SER S S S S+ 0 0 -96.5 -18.9 179.5 39.4 105.3 50.6 0 0.0 0 0.0 0 0.0 0 0.0 7 18
20 20 SER S - 0 0 -127.9 164.2 179.9 -164.9 54.1 147.1 0 0.0 0 0.0 0 0.0 0 0.0 5 21
21 21 ARG R + 0 0 -144.9 49.0 -178.3 154.0 35.8 108.0 0 0.0 0 0.0 0 0.0 0 0.0 8 25
22 22 SER S e - 0 0 -85.7 149.0 177.2 -132.9 44.9 124.9 0 0.0 24 -0.9 0 0.0 9 -0.6 7 26
23 23 TRP W E E AA - 8 0 -101.8 91.8 -176.6 -170.7 33.1 146.2 0 0.0 0 0.0 0 0.0 0 0.0 8 34
24 24 HIS H E E AA - 7 0 -92.8 129.3 177.8 -139.3 21.4 140.5 7 -2.8 7 -3.2 22 -0.9 26 -1.0 7 30
25 25 ASN N E E AA + 6 0 -87.1 99.9 -177.7 164.6 40.9 138.7 0 0.0 0 0.0 0 0.0 0 0.0 8 33
26 26 VAL V E E AA - 5 0 -119.1 161.5 179.0 -113.6 41.3 143.6 5 -2.2 5 -2.6 24 -1.0 28 -0.6 12 41
27 27 TYR Y E E AAC - 4 38 -97.2 116.4 -178.7 -155.3 31.0 148.4 38 -2.9 38 -2.8 0 0.0 0 0.0 15 45
28 28 CYS C E E AAC - 3 37 -98.9 128.0 178.9 -170.9 9.2 146.4 3 -2.7 3 -1.8 26 -0.6 0 0.0 12 54
29 29 VAL V E E AAC - 2 36 -118.8 116.8 -179.4 -140.9 16.6 166.4 36 -2.5 36 -3.1 0 0.0 0 0.0 12 46
30 30 ILE I E E A C + 0 35 -80.0 143.3 179.3 170.3 26.4 122.9 1 -2.2 0 0.0 0 0.0 0 0.0 10 42
31 31 ASN N E E A C> T - 0 34 -141.5 171.8 -179.9 -57.6 51.6 149.7 34 -2.9 34 -1.8 0 0.0 33 -0.9 7 34
32 32 ASN N T T 3 TS- 0 0 -59.3 97.8 -179.3 -28.0 121.5 113.7 0 0.0 0 0.0 0 0.0 0 0.0 7 23
33 33 GLN Q T e 3 TS+ 0 0 59.5 32.6 179.9 87.1 132.5 37.1 31 -0.9 58 -1.8 0 0.0 59 -0.6 9 32
34 34 GLU E E E ACD< T - 31 57 -152.3 162.0 178.8 -154.3 59.5 165.3 31 -1.8 31 -2.9 0 0.0 0 0.0 11 36
35 35 MET M E E ACD - 30 56 -145.1 137.8 -179.1 -144.5 10.4 175.6 56 -3.0 56 -2.7 0 0.0 0 0.0 13 54
36 36 GLY G E E ACD - 29 55 -108.6 133.1 179.3 -153.6 3.9 153.4 29 -3.1 29 -2.5 0 0.0 38 -0.7 13 47
37 37 PHE F E E AC + 28 0 -107.2 104.3 -179.1 154.9 32.2 153.4 54 -1.6 0 0.0 0 0.0 0 0.0 14 48
38 38 TYR Y E E AC - 27 0 -121.1 178.9 -179.9 -107.9 54.1 129.4 27 -2.8 27 -2.9 36 -0.7 0 0.0 17 37
39 39 LYS K S S S- 0 0 -74.9 -42.4 -179.6 -38.2 88.4 27.9 0 0.0 0 0.0 0 0.0 0 0.0 11 32
40 40 ASP D S h > TS- 0 0 -164.1 -170.8 179.7 -66.8 76.1 154.4 0 0.0 44 -2.4 0 0.0 0 0.0 10 31
41 41 ALA A H H > TS+ 0 0 -62.6 -36.2 179.4 46.8 132.1 31.5 0 0.0 45 -1.5 0 0.0 0 0.0 10 27
42 42 LYS K H H > TS+ 0 0 -72.9 -42.5 178.5 50.1 111.6 24.4 0 0.0 46 -2.6 0 0.0 0 0.0 7 21
43 43 SER S H H > >TS+ 0 0 -61.4 -39.9 179.4 47.9 112.8 28.0 0 0.0 47 -2.1 0 0.0 48 -2.1 11 25
44 44 ALA A H H < 5TS+ 0 0 -69.9 -34.6 -179.8 50.5 111.8 34.0 40 -2.4 0 0.0 0 0.0 0 0.0 14 32
45 45 ALA A H H < 5TS+ 0 0 -70.2 -48.1 -179.9 37.6 117.1 21.8 41 -1.5 0 0.0 0 0.0 0 0.0 6 26
46 46 SER S H H < 5TS- 0 0 -72.3 -36.6 -179.6 -120.4 111.3 31.7 42 -2.6 0 0.0 0 0.0 0 0.0 6 18
47 47 GLY G T h < 5T + 0 0 92.4 58.9 179.9 173.4 43.8 25.3 43 -2.1 0 0.0 0 0.0 0 0.0 7 27
48 48 ILE I t T + 0 0 -114.7 27.6 -179.9 140.2 36.2 94.2 33 -1.8 61 -0.8 0 0.0 0 0.0 13 40
59 59 LYS K T T 3 TS- 0 0 -78.2 123.6 -179.8 -8.0 79.1 129.7 33 -0.6 81 -1.0 0 0.0 0 0.0 9 29
60 60 GLU E T T 3 TS- 0 0 55.0 53.1 -179.5 -173.5 89.4 20.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
61 61 ALA A t < T - 0 0 -81.5 135.4 178.2 -146.1 14.9 128.2 58 -0.8 0 0.0 0 0.0 0 0.0 12 36
62 62 ILE I E E AE - 79 0 -101.7 134.0 -178.2 -168.3 17.0 147.6 79 -2.9 79 -3.0 0 0.0 0 0.0 8 33
63 63 CYS C E E AE + 78 0 -130.7 136.1 178.7 179.6 9.5 171.1 0 0.0 0 0.0 0 0.0 0 0.0 10 39
64 64 GLU E E E AE - 77 0 -128.4 154.7 -179.0 -116.0 27.7 154.8 77 -2.5 77 -1.9 0 0.0 0 0.0 7 34
65 65 VAL V E E AE - 76 0 -98.7 139.9 178.8 -172.1 18.5 140.6 0 0.0 0 0.0 0 0.0 0 0.0 7 36
66 66 ALA A E E AE + 75 0 -128.3 78.4 -177.9 166.9 13.4 139.4 75 -3.3 75 -1.9 0 0.0 0 0.0 10 34
67 67 LEU L S S S+ 0 0 -72.1 -8.2 179.5 29.3 79.9 57.8 0 0.0 0 0.0 0 0.0 0 0.0 9 27
68 68 ASP D + 0 0 -155.5 81.5 179.4 161.1 64.1 123.4 0 0.0 70 -0.8 0 0.0 0 0.0 9 21
69 69 TYR Y B B A > T - 72 0 -105.1 72.5 -179.7 -87.0 68.4 130.9 72 -2.7 72 -2.1 0 0.0 71 -0.8 8 26
70 70 LYS K T T 3 TS+ 0 0 64.9 -100.1 -179.7 0.2 113.9 118.9 68 -0.8 0 0.0 0 0.0 0 0.0 5 17
71 71 LYS K T T 3 TS+ 0 0 -96.0 -6.6 179.5 83.5 122.2 60.0 69 -0.8 0 0.0 0 0.0 0 0.0 5 19
72 72 LYS K B B A < T - 69 0 -102.5 130.3 -177.4 -179.0 53.7 148.7 69 -2.1 69 -2.7 0 0.0 0 0.0 9 28
73 73 LYS K S S S+ 0 0 -90.4 -76.0 -177.1 37.9 70.4 22.3 0 0.0 75 -1.5 0 0.0 0 0.0 10 29
74 74 HIS H S e S+ 0 0 -86.4 81.5 179.7 140.4 82.7 127.0 0 0.0 90 -3.2 0 0.0 0 0.0 13 35
75 75 VAL V E E AEF - 66 89 -120.1 157.4 178.1 -162.3 32.2 147.9 66 -1.9 66 -3.3 73 -1.5 0 0.0 15 43
76 76 PHE F E E AEF - 65 88 -143.8 136.9 -179.2 -130.1 19.2 176.6 88 -2.3 88 -3.1 0 0.0 78 -0.7 13 46
77 77 LYS K E E AEF - 64 87 -90.2 111.4 -178.6 -172.4 28.1 142.3 64 -1.9 64 -2.5 0 0.0 79 -0.5 12 44
78 78 LEU L E E AEF - 63 86 -111.1 120.8 178.0 -174.5 5.8 158.9 86 -2.3 86 -2.3 76 -0.7 80 -0.5 12 53
79 79 ARG R E E AEF - 62 85 -117.6 121.9 179.9 -148.8 13.2 164.2 62 -3.0 62 -2.9 77 -0.5 0 0.0 11 40
80 80 LEU L e > T - 0 0 -84.3 155.2 178.0 -114.9 27.2 120.9 84 -2.0 83 -0.9 78 -0.5 82 -0.7 13 42
81 81 SER S T T 3 TS+ 0 0 -80.9 37.6 179.8 77.9 108.9 94.0 59 -1.0 0 0.0 0 0.0 0 0.0 11 26
82 82 ASP D T T 3 TS- 0 0 -131.3 22.0 -179.8 -105.0 115.5 91.4 80 -0.7 84 -1.1 0 0.0 0 0.0 5 28
83 83 GLY G S t < TS+ 0 0 80.9 -43.2 -178.1 129.0 82.6 99.4 80 -0.9 0 0.0 0 0.0 0 0.0 6 29
84 84 ASN N e - 0 0 -49.6 130.7 -180.0 -164.0 41.1 99.0 82 -1.1 80 -2.0 0 0.0 0 0.0 9 42
85 85 GLU E E E ABF + 11 79 -123.6 127.9 -179.9 167.9 13.6 169.7 11 -2.0 11 -1.5 0 0.0 10 -1.3 12 44
86 86 TYR Y E E ABF - 9 78 -139.5 156.8 175.9 -136.3 30.0 166.6 78 -2.3 78 -2.3 0 0.0 0 0.0 12 54
87 87 LEU L E E ABF - 8 77 -111.5 124.8 -179.2 -159.4 22.0 161.6 8 -3.0 8 -2.2 0 0.0 89 -0.5 13 53
88 88 PHE F E E ABF - 7 76 -112.1 123.4 179.7 -159.4 0.8 158.9 76 -3.1 76 -2.3 0 0.0 90 -0.5 12 62
89 89 GLN Q E E ABF - 6 75 -104.6 124.1 178.5 -165.4 8.9 153.1 6 -2.2 6 -2.0 87 -0.5 0 0.0 13 48
90 90 ALA A e - 0 0 -99.2 168.6 -179.5 -124.6 26.9 120.4 74 -3.2 0 0.0 88 -0.5 0 0.0 11 46
91 91 LYS K S S S+ 0 0 -84.6 -28.9 -179.2 4.8 88.4 40.0 0 0.0 0 0.0 0 0.0 0 0.0 7 33
92 92 ASP D S h > TS- 0 0 -150.0 168.1 179.1 -104.7 74.1 162.3 0 0.0 96 -2.6 0 0.0 0 0.0 7 25
93 93 ASP D H H > TS+ 0 0 -62.3 -42.4 179.6 55.9 119.0 27.5 0 0.0 97 -3.3 0 0.0 0 0.0 8 25
94 94 GLU E H H > TS+ 0 0 -59.3 -39.7 178.5 43.7 111.5 27.2 0 0.0 98 -1.9 0 0.0 0 0.0 6 22
95 95 GLU E H H > TS+ 0 0 -70.1 -48.1 179.4 49.2 114.3 19.9 0 0.0 99 -2.7 0 0.0 0 0.0 9 30
96 96 MET M H H X TS+ 0 0 -56.4 -49.0 179.3 47.9 112.5 22.1 92 -2.6 100 -2.8 0 0.0 0 0.0 14 39
97 97 ASN N H H X TS+ 0 0 -59.5 -44.7 179.0 49.2 112.5 24.0 93 -3.3 101 -2.7 0 0.0 0 0.0 8 31
98 98 THR T H H X TS+ 0 0 -62.3 -41.9 179.5 48.7 112.3 26.5 94 -1.9 102 -2.3 0 0.0 0 0.0 8 33
99 99 TRP W H H X TS+ 0 0 -63.8 -51.2 179.7 43.5 114.7 18.1 95 -2.7 103 -2.6 0 0.0 0 0.0 8 49
100 100 ILE I H H X TS+ 0 0 -62.3 -41.8 179.3 51.5 114.1 26.0 96 -2.8 104 -2.6 0 0.0 0 0.0 9 47
101 101 GLN Q H H X TS+ 0 0 -62.0 -43.1 179.1 46.3 112.1 24.3 97 -2.7 105 -0.7 0 0.0 0 0.0 8 31
102 102 ALA A H H < > TS+ 0 0 -64.6 -46.5 179.1 47.0 114.5 21.3 98 -2.3 105 -0.8 0 0.0 0 0.0 9 36
103 103 ILE I H H < > TS+ 0 0 -63.1 -38.1 179.4 56.8 107.9 29.8 99 -2.6 106 -1.6 0 0.0 0 0.0 10 44
104 104 SER S H H < 3 TS+ 0 0 -67.6 -18.6 179.8 64.6 97.0 46.5 100 -2.6 0 0.0 0 0.0 0 0.0 8 32
105 105 SER S T h < < T 0 0 -83.8 -1.3 179.5 999.9 999.9 62.4 102 -0.8 0 0.0 101 -0.7 0 0.0 5 25
106 106 ALA A t < T 0 0 -91.8 999.9 999.9 999.9 999.9 28.0 103 -1.6 0 0.0 0 0.0 0 0.0 10 28
1mph-.pdb
1MPH SIGNAL TRANSDUCTION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEEEE SSSTT S EEEEEEEEETTEEEEESSHHHHHHT SSS EEE TT EEEEES BTTBSSEEEEE TTS EEEEE SSHHHHHHHH Kabs/Sand
chirality +-+----++++-+----+-+---+----+--+---+---+++++-+-++-++++--+----+--+++-++-++------+-+-+-----+-++++++++ chirality
bends SS SSSSS S SS SSSSSSSS SSS S SS S SS SS SSS SSSSSSSSSS bends
turns TTTT TTTT TTTTTTTTT TTTT TTTT TTTT TTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 BBBB*B CCCCC DDD FFFFF FFFFF bridge-2
bridge-1 AAAAAAA AAAAAAA CCCCC DDD EEEEE A A EEEEE BBBBB bridge-1
sheets AAAAAAAAAA AAAAAAAAA AAAAA AAA AAAAA AAAAA AAAAA sheets
4-turns >>>><<<< >>>>XXXXX 4-turns
summary eEEEEEEEEEE SStTTtS eEEEEEEEEETeEEEEEShHHHHHHht SSS eEEEeTTtEEEEES BTTBSeEEEEEeTTteEEEEEeShHHHHHHHH summary
sequence MEGFLNRKHEWEAHNKKASSRSWHNVYCVINNQEMGFYKDAKSAASGIPYHSEVPVSLKEAICEVALDYKKKKHVFKLRLSDGNEYLFQAKDDEEMNTWI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHT Kabs/Sand
chirality ++++ chirality
bends SSSS bends
turns TTTTTT turns
5-turns 5-turns
3-turns >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns X<<<< 4-turns
summary HHHHht summary
sequence QAISSA sequence