Secondary structure calculation program - copyright by David Keith Smith, 1989
1c8pA.pdb
1C8P MEMBRANE PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 102
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 MET M 0 0 999.9 124.9 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 8
2 A 2 ILE I - 0 0 -67.4 -171.9 -179.9 -101.1 999.9 83.5 0 0.0 0 0.0 0 0.0 0 0.0 4 16
3 A 3 GLN Q S S S- 0 0 -119.5 145.7 -179.7 -8.7 73.4 155.7 0 0.0 0 0.0 0 0.0 0 0.0 5 22
4 A 4 MET M S S S- 0 0 62.6 -176.0 179.7 -113.7 72.3 89.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
5 A 5 ALA A - 0 0 -160.5 123.7 -179.7 -111.6 20.7 151.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34
6 A 6 PRO P - 0 0 -56.2 141.8 179.9 -111.7 40.7 102.9 0 0.0 0 0.0 0 0.0 0 0.0 13 44
7 A 7 PRO P - 0 0 -63.9 -177.9 179.8 -76.4 43.2 85.3 0 0.0 9 -0.9 0 0.0 0 0.0 12 43
8 A 8 SER S B B A - 23 0 -89.3 106.1 -179.6 -155.4 49.5 139.4 23 -0.9 23 -0.5 0 0.0 0 0.0 10 37
9 A 9 LEU L + 0 0 -84.4 137.6 179.6 157.8 23.4 129.3 7 -0.9 0 0.0 0 0.0 0 0.0 14 45
10 A 10 ASN N - 0 0 -160.2 134.8 -179.9 -134.3 31.4 160.1 0 0.0 21 -0.9 0 0.0 0 0.0 8 40
11 A 11 VAL V B B B - 20 0 -95.2 141.8 179.7 -168.8 17.1 136.5 0 0.0 0 0.0 0 0.0 0 0.0 9 43
12 A 12 THR T - 0 0 -134.3 119.6 -179.3 -154.1 6.9 167.1 19 -3.3 0 0.0 0 0.0 0 0.0 8 33
13 A 13 LYS K - 0 0 -92.7 148.1 179.6 -176.0 13.4 130.7 0 0.0 0 0.0 0 0.0 0 0.0 8 28
14 A 14 ASP D S S S- 0 0 -134.0 40.0 -179.4 -19.0 84.3 101.4 17 -1.8 0 0.0 0 0.0 0 0.0 6 20
15 A 15 GLY G S S S- 0 0 121.0 59.6 -179.3 -48.2 122.1 47.0 0 0.0 17 -1.6 0 0.0 0 0.0 5 19
16 A 16 ASP D S S S+ 0 0 83.2 -52.6 179.9 100.9 115.7 108.2 0 0.0 0 0.0 0 0.0 0 0.0 7 25
17 A 17 SER S - 0 0 -68.9 121.4 -179.9 -154.0 63.6 120.9 15 -1.6 14 -1.8 0 0.0 0 0.0 9 28
18 A 18 TYR Y - 0 0 -93.9 165.0 179.8 -169.6 11.0 120.3 0 0.0 0 0.0 0 0.0 0 0.0 12 39
19 A 19 SER S - 0 0 -156.3 143.3 -179.4 -117.0 20.2 169.6 0 0.0 12 -3.3 0 0.0 0 0.0 11 41
20 A 20 LEU L B B B - 11 0 -79.6 158.7 179.6 -166.2 19.0 112.8 61 -1.2 0 0.0 0 0.0 0 0.0 12 55
21 A 21 ARG R + 0 0 -150.1 93.7 -179.3 168.5 13.7 137.3 10 -0.9 0 0.0 0 0.0 0 0.0 12 43
22 A 22 TRP W - 0 0 -112.6 131.9 179.8 -166.1 13.1 157.2 59 -0.7 24 -0.5 0 0.0 0 0.0 11 47
23 A 23 GLU E B B A - 8 0 -121.1 119.1 -179.7 -152.5 8.5 164.4 8 -0.5 8 -0.9 0 0.0 0 0.0 8 39
24 A 24 THR T + 0 0 -92.1 138.7 179.3 149.9 31.4 135.7 22 -0.5 0 0.0 0 0.0 0 0.0 8 43
25 A 25 MET M + 0 0 -151.4 20.6 179.4 86.9 53.7 83.2 0 0.0 0 0.0 0 0.0 0 0.0 6 30
26 A 26 LYS K S S S+ 0 0 -114.2 30.7 -179.9 48.1 90.7 94.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
27 A 27 MET M + 0 0 -129.6 -62.4 179.4 161.9 52.7 55.8 0 0.0 0 0.0 0 0.0 0 0.0 6 30
28 A 28 ARG R + 0 0 37.0 32.9 -179.9 121.9 43.3 40.8 0 0.0 0 0.0 0 0.0 0 0.0 5 21
29 A 29 TYR Y S S S- 0 0 -83.2 -78.4 -180.0 -65.7 71.2 18.7 0 0.0 0 0.0 0 0.0 0 0.0 5 19
30 A 30 GLU E S S S- 0 0 -157.1 -165.2 180.0 -38.0 76.3 145.2 0 0.0 32 -3.5 0 0.0 0 0.0 4 18
31 A 31 HIS H S S S+ 0 0 -68.9 63.4 179.9 163.9 77.7 107.5 0 0.0 0 0.0 0 0.0 0 0.0 4 21
32 A 32 ILE I - 0 0 -83.8 155.4 179.8 -136.8 43.2 118.9 30 -3.5 0 0.0 0 0.0 0 0.0 9 27
33 A 33 ASP D - 0 0 -75.8 -47.1 179.8 -167.6 29.0 22.4 81 -1.7 0 0.0 0 0.0 0 0.0 10 33
34 A 34 HIS H e - 0 0 54.6 97.1 179.7 -135.4 14.6 20.5 0 0.0 57 -1.3 0 0.0 0 0.0 11 43
35 A 35 THR T E E AA - 56 0 -82.9 143.5 -179.7 -150.9 11.8 125.3 0 0.0 79 -1.9 0 0.0 37 -0.5 14 46
36 A 36 PHE F E E AAB - 55 78 -120.7 112.6 179.3 -155.3 1.2 160.0 55 -2.2 55 -4.2 0 0.0 38 -1.0 13 51
37 A 37 GLU E E E AAB - 54 77 -87.9 101.9 -179.3 -157.0 18.0 137.2 77 -2.7 77 -1.2 35 -0.5 0 0.0 11 51
38 A 38 ILE I E E AAB + 53 76 -82.2 139.1 179.3 178.1 15.2 126.5 53 -3.7 53 -2.0 36 -1.0 0 0.0 13 56
39 A 39 GLN Q E E AAB + 52 75 -144.4 104.8 -179.3 177.8 2.1 149.8 75 -2.0 75 -1.2 0 0.0 41 -0.6 12 52
40 A 40 TYR Y E E AAB + 51 74 -115.0 110.2 178.8 161.0 11.6 155.6 51 -1.0 51 -0.8 0 0.0 0 0.0 12 53
41 A 41 ARG R e - 0 0 -104.4 -158.6 179.7 -127.4 24.8 98.5 73 -3.2 0 0.0 39 -0.6 0 0.0 14 43
42 A 42 LYS K - 0 0 -151.4 168.9 -179.8 -109.2 23.6 162.4 0 0.0 0 0.0 0 0.0 0 0.0 14 36
43 A 43 ASP D S S S+ 0 0 -78.1 -5.8 179.8 50.0 118.8 58.8 71 -1.6 0 0.0 0 0.0 0 0.0 9 29
44 A 44 THR T S S S+ 0 0 -101.3 -30.4 179.7 31.2 117.9 43.3 0 0.0 0 0.0 0 0.0 0 0.0 6 23
45 A 45 ALA A S S S- 0 0 -109.0 -158.8 179.9 -97.0 87.9 101.6 0 0.0 0 0.0 0 0.0 0 0.0 8 23
46 A 46 THR T t > > T - 0 0 -127.3 157.9 179.9 -106.3 30.2 153.1 0 0.0 49 -2.1 0 0.0 50 -1.2 9 23
47 A 47 TRP W T T 4 3 TS+ 0 0 -48.1 -34.5 -179.8 60.5 121.3 34.8 0 0.0 0 0.0 0 0.0 0 0.0 9 31
48 A 48 LYS K T T 4 3 TS+ 0 0 -64.8 -31.1 179.9 49.6 103.3 35.3 0 0.0 0 0.0 0 0.0 0 0.0 5 21
49 A 49 ASP D T T 4 < TS+ 0 0 -80.0 -21.5 179.9 101.3 93.8 44.8 46 -2.1 0 0.0 0 0.0 0 0.0 7 24
50 A 50 SER S S t < TS- 0 0 -52.6 178.3 179.7 -102.1 80.3 81.4 46 -1.2 0 0.0 0 0.0 0 0.0 11 33
51 A 51 LYS K E E AA - 40 0 -113.7 133.1 179.9 -140.7 18.5 157.8 40 -0.8 53 -1.1 0 0.0 40 -1.0 8 33
52 A 52 THR T E E AA - 39 0 -94.3 94.2 179.7 -175.2 25.9 138.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
53 A 53 GLU E E E AA - 38 0 -92.4 137.3 -179.7 -137.9 20.1 136.5 38 -2.0 38 -3.7 51 -1.1 55 -0.9 7 37
54 A 54 THR T E E AA - 37 0 -98.4 103.3 -179.9 -171.5 17.2 145.0 0 0.0 56 -1.1 0 0.0 0 0.0 8 34
55 A 55 LEU L E E AA > T - 36 0 -97.0 90.3 -179.7 -167.8 8.3 138.7 36 -4.2 36 -2.2 53 -0.9 58 -0.6 12 41
56 A 56 GLN Q E E AA 3 TS- 35 0 -82.5 126.4 179.8 -22.3 72.0 131.8 54 -1.1 0 0.0 0 0.0 0 0.0 8 33
57 A 57 ASN N T e 3 TS+ 0 0 43.5 34.2 179.4 135.0 108.8 37.1 34 -1.3 0 0.0 0 0.0 0 0.0 8 34
58 A 58 ALA A t < T - 0 0 -110.1 157.7 -179.6 -159.3 50.3 138.6 55 -0.6 0 0.0 0 0.0 0 0.0 8 35
59 A 59 HIS H S S S+ 0 0 -124.5 27.5 179.3 5.1 73.8 89.1 0 0.0 22 -0.7 0 0.0 0 0.0 8 38
60 A 60 SER S - 0 0 168.2 163.8 -179.9 -138.2 60.8 153.0 0 0.0 0 0.0 0 0.0 0 0.0 9 43
61 A 61 MET M - 0 0 -137.9 166.2 -179.9 -122.1 20.7 153.9 0 0.0 20 -1.2 0 0.0 63 -0.6 9 41
62 A 62 ALA A - 0 0 -112.6 73.5 -179.7 -142.6 29.0 130.3 0 0.0 0 0.0 0 0.0 0 0.0 8 39
63 A 63 LEU L + 0 0 -37.4 95.8 -179.2 160.9 36.2 93.6 61 -0.6 0 0.0 0 0.0 0 0.0 9 48
64 A 64 PRO P + 0 0 -90.7 -48.1 -178.9 62.1 57.8 28.2 0 0.0 66 -1.9 0 0.0 0 0.0 6 32
65 A 65 ALA A S S S+ 0 0 -83.2 71.7 178.5 122.0 79.7 119.2 0 0.0 0 0.0 0 0.0 0 0.0 4 32
66 A 66 LEU L - 0 0 -117.8 -171.1 -179.7 -140.7 47.5 119.1 64 -1.9 0 0.0 0 0.0 0 0.0 7 43
67 A 67 GLU E - 0 0 -159.0 132.5 179.6 -112.0 19.4 159.1 0 0.0 0 0.0 0 0.0 0 0.0 6 33
68 A 68 PRO P S S S+ 0 0 -59.6 158.4 179.9 26.3 99.5 97.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26
69 A 69 SER S S S S+ 0 0 52.9 43.6 179.9 117.2 99.6 26.6 101 -2.6 0 0.0 0 0.0 0 0.0 8 22
70 A 70 THR T - 0 0 -145.2 127.9 179.6 -130.9 67.1 167.4 0 0.0 72 -1.1 0 0.0 0 0.0 11 31
71 A 71 ARG R - 0 0 -79.7 99.7 -179.1 -156.4 27.9 130.7 0 0.0 43 -1.6 0 0.0 73 -0.6 11 34
72 A 72 TYR Y E E A C - 0 98 -84.0 117.6 179.3 -164.3 6.1 134.2 98 -2.1 98 -1.7 70 -1.1 74 -0.8 14 48
73 A 73 TRP W E E A C + 0 97 -103.9 103.3 -179.3 169.8 19.7 150.0 71 -0.6 41 -3.2 0 0.0 0 0.0 12 46
74 A 74 ALA A E E ABC + 40 96 -110.4 171.2 180.0 179.5 10.7 128.4 96 -2.3 96 -2.4 72 -0.8 0 0.0 12 58
75 A 75 ARG R E E AB - 39 0 -159.5 169.5 -179.6 -128.5 18.7 163.7 39 -1.2 39 -2.0 0 0.0 0 0.0 13 57
76 A 76 VAL V E E AB - 38 0 -135.5 136.7 -179.8 -153.9 6.3 174.2 0 0.0 93 -2.8 0 0.0 78 -0.6 15 54
77 A 77 ARG R E E AB - 37 0 -111.3 111.0 -179.7 -168.0 12.3 156.9 37 -1.2 37 -2.7 0 0.0 79 -0.6 14 56
78 A 78 VAL V E E AB + 36 0 -103.8 118.1 179.3 172.2 11.6 150.9 76 -0.6 0 0.0 0 0.0 0 0.0 15 54
79 A 79 ARG R e - 0 0 -99.5 -152.5 179.9 -100.8 39.8 89.3 35 -1.9 0 0.0 77 -0.6 0 0.0 11 48
80 A 80 THR T - 0 0 -138.4 67.4 179.7 -178.4 31.5 118.8 88 -0.5 82 -2.8 0 0.0 0 0.0 12 41
81 A 81 SER S + 0 0 -67.2 74.9 -179.8 153.8 21.3 112.5 0 0.0 33 -1.7 0 0.0 0 0.0 11 32
82 A 82 ARG R - 0 0 -92.1 21.6 179.7 -120.8 58.2 83.7 80 -2.8 84 -2.9 0 0.0 0 0.0 8 24
83 A 83 THR T S S S+ 0 0 73.2 -60.0 -179.7 41.9 109.3 107.8 0 0.0 0 0.0 0 0.0 0 0.0 6 19
84 A 84 GLY G S S S+ 0 0 -105.6 25.2 179.9 120.0 91.4 86.9 82 -2.9 0 0.0 0 0.0 0 0.0 5 16
85 A 85 TYR Y - 0 0 -86.6 162.4 179.9 -112.5 69.0 116.7 0 0.0 0 0.0 0 0.0 0 0.0 7 22
86 A 86 ASN N - 0 0 -57.2 -101.7 179.8 -95.9 48.3 24.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17
87 A 87 GLY G + 0 0 178.8 43.6 -179.6 134.5 68.1 82.0 0 0.0 0 0.0 0 0.0 0 0.0 7 22
88 A 88 ILE I - 0 0 -92.3 -173.9 179.3 -156.3 31.4 102.7 0 0.0 80 -0.5 0 0.0 0 0.0 6 25
89 A 89 TRP W - 0 0 -152.1 -178.9 179.7 -90.7 19.9 152.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
90 A 90 SER S - 0 0 -88.1 -170.3 -179.9 -99.5 42.9 95.9 0 0.0 0 0.0 0 0.0 0 0.0 12 37
91 A 91 GLU E - 0 0 -102.7 29.0 -179.9 -92.2 69.5 91.6 0 0.0 0 0.0 0 0.0 0 0.0 8 31
92 A 92 TRP W - 0 0 63.9 121.1 -179.7 -91.0 48.0 42.0 0 0.0 0 0.0 0 0.0 0 0.0 10 42
93 A 93 SER S - 0 0 -62.1 143.8 179.9 -78.2 58.6 107.3 76 -2.8 0 0.0 0 0.0 0 0.0 14 44
94 A 94 GLU E - 0 0 -45.6 116.3 -179.9 -109.5 59.0 100.2 0 0.0 0 0.0 0 0.0 0 0.0 9 35
95 A 95 ALA A - 0 0 -50.1 144.8 179.9 -153.9 33.8 97.0 0 0.0 0 0.0 0 0.0 0 0.0 9 40
96 A 96 ARG R E E AC - 74 0 -130.8 128.6 -179.8 -156.4 4.5 172.3 74 -2.4 74 -2.3 0 0.0 0 0.0 10 39
97 A 97 SER S E E AC + 73 0 -107.7 128.3 179.8 174.6 16.1 153.8 0 0.0 0 0.0 0 0.0 0 0.0 9 41
98 A 98 TRP W E E AC - 72 0 -133.2 143.7 -180.0 -121.8 27.8 169.3 72 -1.7 72 -2.1 0 0.0 0 0.0 8 37
99 A 99 ASP D - 0 0 -84.9 142.9 179.9 -156.1 6.6 127.2 0 0.0 0 0.0 0 0.0 0 0.0 9 34
100 A 100 THR T - 0 0 -101.2 15.9 -180.0 -152.7 30.6 80.4 0 0.0 0 0.0 0 0.0 0 0.0 12 35
101 A 101 GLU E 0 0 40.6 -162.0 180.0 999.9 999.9 81.9 0 0.0 69 -2.6 0 0.0 0 0.0 7 22
102 A 102 SER S 0 0 -136.4 999.9 999.9 999.9 999.9 75.7 0 0.0 0 0.0 0 0.0 0 0.0 4 16
1c8pA.pdb
1C8P MEMBRANE PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS B B SSS B B S SSS EEEEEE SSS TTTSEEEEEET S S SS EEEEEEE SS EEE Kabs/Sand
chirality -------+------+----+--+++++--+------+++--++--+++-------+-+---+++--++---++---+--+-++--+---------+--- chirality
bends SS SSS S SSS SSS SSSS SS S S SS SS bends
turns TTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< 3-turns
bridge-2 BBBBB CCC bridge-2
bridge-1 A B B A AAAAAA AAAAAA BBBBB CCC bridge-1
sheets AAAAAA AAAAAA AAAAAAA AAA sheets
4-turns >444< 4-turns
summary SS B B SSS B B S SSS eEEEEEEe SSStTTTtEEEEEEetS S SS EEEEEEEe SS EEE summary
sequence MIQMAPPSLNVTKDGDSYSLRWETMKMRYEHIDHTFEIQYRKDTATWKDSKTETLQNAHSMALPALEPSTRYWARVRVRTSRTGYNGIWSEWSEARSWDT sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand Kabs/Sand
chirality chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary summary
sequence ES sequence