Secondary structure calculation program - copyright by David Keith Smith, 1989
3c2c-.pdb
3C2C ELECTRON TRANSPORT PROTEIN (CYTOCHROME) CYTOCHROME $C=2= (REDUCED) (RHODOSPIRILLUM $RUBRUM)
Sequence length - 112
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 GLU E 0 0 999.9 149.1 166.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
2 2 GLY G - 0 0 110.5 141.8 -178.9 -105.0 999.9 92.9 0 0.0 4 -0.6 0 0.0 0 0.0 11 28
3 3 ASP D h > T - 0 0 -104.8 115.4 -176.8 -157.7 23.2 162.6 0 0.0 7 -2.2 0 0.0 0 0.0 10 24
4 4 ALA A H H > TS+ 0 0 -70.6 -8.2 -179.6 60.7 94.6 43.6 2 -0.6 8 -1.5 0 0.0 0 0.0 14 28
5 5 ALA A H H > TS+ 0 0 -87.7 -30.9 177.3 40.3 108.2 20.2 0 0.0 9 -1.2 0 0.0 0 0.0 8 24
6 6 ALA A H H > TS+ 0 0 -79.4 -24.3 176.7 60.4 111.6 28.0 0 0.0 10 -2.1 0 0.0 0 0.0 10 27
7 7 GLY G H H X TS+ 0 0 -61.1 -47.0 175.9 55.3 98.5 29.7 3 -2.2 11 -2.3 0 0.0 0 0.0 16 36
8 8 GLU E H H < TS+ 0 0 -57.6 -38.2 165.8 51.2 107.9 23.1 4 -1.5 0 0.0 0 0.0 0 0.0 11 32
9 9 LYS K H H < > TS+ 0 0 -53.7 -57.7 178.0 45.3 110.9 21.3 5 -1.2 12 -1.4 0 0.0 0 0.0 7 29
10 10 VAL V H H < > TS+ 0 0 -56.7 -36.9 -175.5 70.7 100.5 25.2 6 -2.1 13 -2.7 0 0.0 0 0.0 11 36
11 11 SER S G h < > TS+ 0 0 -57.8 -19.8 177.7 79.1 76.7 49.5 7 -2.3 14 -1.8 0 0.0 0 0.0 9 46
12 12 LYS K G G X TS+ 0 0 -61.9 -21.8 170.3 67.2 83.4 34.1 9 -1.4 15 -1.3 0 0.0 0 0.0 7 29
13 13 LYS K G G < TS+ 0 0 -65.2 -25.8 178.9 45.5 101.4 39.6 10 -2.7 0 0.0 0 0.0 0 0.0 6 33
14 14 CYS C G G > X TS+ 0 0 -89.4 -21.8 -164.5 92.7 87.1 61.2 11 -1.8 18 -2.1 0 0.0 17 -1.7 8 44
15 15 LEU L T g 4 < TS+ 0 0 -62.1 -16.1 172.0 66.8 72.1 37.1 12 -1.3 0 0.0 0 0.0 0 0.0 8 31
16 16 ALA A T T 4 3 TS+ 0 0 -65.2 -23.0 -173.1 21.4 120.5 39.2 0 0.0 0 0.0 0 0.0 0 0.0 7 26
17 17 CYS C T T 4 < TS+ 0 0 -117.1 -19.8 -173.6 43.7 123.8 54.2 14 -1.7 29 -1.8 0 0.0 28 -1.6 8 30
18 18 HIS H t < T - 0 0 -127.5 160.5 165.5 -149.8 56.2 166.6 14 -2.1 0 0.0 0 0.0 0 0.0 13 39
19 19 THR T - 0 0 -112.9 167.8 -168.2 -160.8 4.2 138.3 25 -0.6 32 -2.1 0 0.0 0 0.0 13 34
20 20 PHE F + 0 0 -126.3 -15.0 -169.9 100.9 54.2 77.3 0 0.0 0 0.0 0 0.0 0 0.0 9 41
21 21 ASP D S t > TS- 0 0 -92.4 156.5 171.7 -91.9 83.3 138.9 0 0.0 24 -2.0 0 0.0 0 0.0 9 31
22 22 GLN Q T T 3 TS+ 0 0 -53.3 117.2 176.6 11.0 113.1 102.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
23 23 GLY G T T 3 TS+ 0 0 91.8 -1.1 -173.1 158.9 96.6 70.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
24 24 GLY G t < T - 0 0 -60.1 172.5 -166.8 -91.8 42.8 80.2 21 -2.0 0 0.0 0 0.0 0 0.0 9 27
25 25 ALA A - 0 0 -93.7 160.7 174.8 -120.4 24.7 98.3 0 0.0 27 -1.0 0 0.0 19 -0.6 7 25
26 26 ASN N + 0 0 -94.5 89.3 177.5 169.7 42.5 139.0 0 0.0 0 0.0 0 0.0 0 0.0 10 31
27 27 LYS K S S S- 0 0 -66.9 -69.5 170.6 -36.9 73.1 26.6 25 -1.0 0 0.0 0 0.0 0 0.0 10 26
28 28 VAL V S S S+ 0 0 -118.7 -56.5 168.4 28.2 138.0 67.3 17 -1.6 0 0.0 0 0.0 0 0.0 7 27
29 29 GLY G S S S- 0 0 -98.3 169.6 -173.9 -79.0 105.1 111.1 17 -1.8 0 0.0 0 0.0 0 0.0 8 40
30 30 PRO P - 0 0 -65.9 154.7 167.3 -93.6 53.4 115.0 0 0.0 0 0.0 0 0.0 0 0.0 11 41
31 31 ASN N - 0 0 -57.3 153.2 -167.4 -150.5 34.7 117.4 0 0.0 0 0.0 0 0.0 0 0.0 14 39
32 32 LEU L t > T + 0 0 -125.5 18.3 172.6 126.9 49.8 72.6 19 -2.1 35 -1.5 0 0.0 0 0.0 9 52
33 33 PHE F T T 3 TS+ 0 0 -78.8 147.3 -174.7 14.5 85.2 119.4 0 0.0 0 0.0 0 0.0 0 0.0 13 43
34 34 GLY G T T 3 TS+ 0 0 76.2 4.2 -164.7 126.6 90.1 46.1 111 -2.6 0 0.0 0 0.0 0 0.0 8 36
35 35 VAL V t X T + 0 0 -71.3 -34.0 -171.9 101.7 40.1 44.2 32 -1.5 38 -2.0 0 0.0 0 0.0 12 48
36 36 PHE F T T 3 TS- 0 0 -62.2 134.9 -177.8 -5.9 101.8 117.8 0 0.0 0 0.0 0 0.0 0 0.0 11 42
37 37 GLU E T T 3 TS+ 0 0 56.3 18.7 -173.7 121.6 108.7 54.5 62 -2.3 0 0.0 0 0.0 0 0.0 7 32
38 38 ASN N S t < TS- 0 0 -106.9 162.0 168.1 -84.7 70.2 125.5 35 -2.0 62 -3.1 0 0.0 0 0.0 10 35
39 39 THR T B B A - 61 0 -50.3 155.7 170.1 -96.6 44.3 96.2 0 0.0 0 0.0 0 0.0 0 0.0 11 38
40 40 ALA A S S S+ 0 0 -65.7 160.8 177.4 28.7 118.5 122.3 60 -1.8 0 0.0 0 0.0 0 0.0 11 55
41 41 ALA A S S S+ 0 0 53.4 43.9 -164.6 162.2 84.0 21.3 0 0.0 0 0.0 0 0.0 0 0.0 10 48
42 42 HIS H + 0 0 -79.3 -16.7 -176.2 77.9 44.4 45.8 0 0.0 44 -0.8 0 0.0 0 0.0 7 42
43 43 LYS K t > T - 0 0 -98.0 121.2 -177.4 -160.4 62.0 140.8 0 0.0 46 -2.0 0 0.0 0 0.0 7 39
44 44 ASP D T T 3 TS+ 0 0 -68.4 -25.2 -177.8 56.3 89.2 56.9 42 -0.8 0 0.0 0 0.0 0 0.0 6 26
45 45 ASN N T T 3 TS+ 0 0 -94.7 12.4 -179.7 84.1 91.6 76.0 0 0.0 0 0.0 0 0.0 0 0.0 4 23
46 46 TYR Y S t < TS- 0 0 -111.6 140.1 174.7 -132.4 75.0 149.8 43 -2.0 48 -1.1 0 0.0 0 0.0 7 33
47 47 ALA A - 0 0 -83.9 94.7 -179.0 -166.3 33.9 142.8 0 0.0 0 0.0 0 0.0 0 0.0 5 26
48 48 TYR Y - 0 0 -78.3 153.2 168.9 -92.9 30.7 117.3 46 -1.1 0 0.0 0 0.0 0 0.0 8 37
49 49 SER S h > > T - 0 0 -52.8 146.5 -175.4 -109.6 45.8 105.2 0 0.0 52 -1.5 0 0.0 53 -1.0 9 36
50 50 GLU E H H > > TS+ 0 0 -55.9 -31.1 -178.5 72.3 115.2 28.9 0 0.0 54 -1.5 0 0.0 53 -0.5 8 35
51 51 SER S H H > 3 TS+ 0 0 -57.6 -28.7 179.6 49.4 95.0 39.0 0 0.0 55 -2.3 0 0.0 0 0.0 14 39
52 52 TYR Y H H > < TS+ 0 0 -82.9 -34.5 173.3 54.8 106.9 24.2 49 -1.5 56 -1.8 0 0.0 0 0.0 12 49
53 53 THR T H H X < TS+ 0 0 -63.7 -31.8 178.9 48.2 109.4 37.6 49 -1.0 57 -2.5 50 -0.5 0 0.0 11 38
54 54 GLU E H H X TS+ 0 0 -84.1 -36.1 170.0 50.4 110.1 13.3 50 -1.5 58 -1.4 0 0.0 0 0.0 9 31
55 55 MET M H H < >TS+ 0 0 -62.5 -37.7 -167.0 52.0 111.3 34.1 51 -2.3 60 -3.0 0 0.0 0 0.0 14 42
56 56 LYS K H H < >5TS+ 0 0 -70.8 -46.1 169.7 50.9 106.6 17.8 52 -1.8 59 -1.8 0 0.0 0 0.0 12 36
57 57 ALA A H H < 35TS+ 0 0 -50.4 -38.0 174.7 56.3 105.6 33.8 53 -2.5 0 0.0 0 0.0 0 0.0 7 24
58 58 LYS K T h < 35TS- 0 0 -65.1 -22.6 -177.7 -110.9 121.9 55.0 54 -1.4 0 0.0 0 0.0 0 0.0 7 26
59 59 GLY G T T <5T + 0 0 90.5 28.7 176.2 169.9 55.2 55.2 56 -1.8 0 0.0 0 0.0 0 0.0 7 23
60 60 LEU L t T - 0 0 -68.5 165.7 169.4 -96.8 55.3 104.0 61 -1.6 67 -4.0 0 0.0 0 0.0 9 38
64 64 GLU E H H > TS+ 0 0 -57.1 -44.9 178.8 48.8 125.3 28.9 0 0.0 68 -2.0 0 0.0 0 0.0 8 40
65 65 ALA A H H > TS+ 0 0 -73.5 -33.8 177.0 46.6 110.6 30.0 0 0.0 69 -2.0 0 0.0 0 0.0 7 34
66 66 ASN N H H > TS+ 0 0 -72.7 -36.9 174.0 50.0 113.9 21.6 0 0.0 70 -2.9 0 0.0 0 0.0 9 43
67 67 LEU L H H X TS+ 0 0 -62.1 -31.7 -178.3 52.6 110.1 13.1 63 -4.0 71 -2.9 0 0.0 0 0.0 10 56
68 68 ALA A H H X TS+ 0 0 -62.5 -62.7 -174.9 39.7 113.8 32.5 64 -2.0 72 -0.6 0 0.0 0 0.0 11 44
69 69 ALA A H H X TS+ 0 0 -58.8 -42.4 178.5 52.4 117.2 32.3 65 -2.0 73 -0.8 0 0.0 0 0.0 10 40
70 70 TYR Y H H < > TS+ 0 0 -55.0 -52.4 -165.7 49.3 105.5 19.7 66 -2.9 73 -1.4 0 0.0 0 0.0 11 50
71 71 VAL V H H < 3 TS+ 0 0 -75.6 -4.5 175.0 63.7 104.2 41.9 67 -2.9 95 -2.5 0 0.0 0 0.0 10 51
72 72 LYS K H H < 3 TS- 0 0 -78.1 -25.1 -171.8 -14.1 133.5 37.4 68 -0.6 0 0.0 0 0.0 0 0.0 10 37
73 73 ASN N h X < T - 0 0 -176.1 79.8 179.8 -171.0 63.9 124.9 70 -1.4 77 -2.8 69 -0.8 0 0.0 12 30
74 74 PRO P H H > TS+ 0 0 -52.8 -43.1 -174.7 55.9 85.9 27.1 0 0.0 78 -2.7 0 0.0 0 0.0 14 39
75 75 LYS K H H > TS+ 0 0 -62.7 -44.2 170.1 42.5 111.5 19.0 0 0.0 79 -1.8 0 0.0 0 0.0 11 37
76 76 ALA A H H > TS+ 0 0 -62.9 -42.1 173.7 55.6 114.2 19.1 0 0.0 80 -2.2 0 0.0 0 0.0 8 33
77 77 PHE F H H X TS+ 0 0 -50.7 -76.6 -169.9 45.4 106.7 31.0 73 -2.8 81 -2.0 0 0.0 0 0.0 10 46
78 78 VAL V H H X TS+ 0 0 -48.8 -42.8 173.0 49.6 114.6 38.4 74 -2.7 82 -1.3 0 0.0 0 0.0 15 46
79 79 LEU L H H X TS+ 0 0 -48.5 -57.0 -177.0 46.8 113.7 26.2 75 -1.8 83 -2.0 0 0.0 0 0.0 14 35
80 80 GLU E H H < TS+ 0 0 -51.5 -57.4 -163.2 33.4 120.4 17.9 76 -2.2 0 0.0 0 0.0 0 0.0 8 32
81 81 LYS K H H < TS+ 0 0 -94.5 -17.7 172.9 50.8 118.6 36.7 77 -2.0 0 0.0 0 0.0 0 0.0 7 42
82 82 SER S H H < TS- 0 0 -84.7 -50.0 -174.7 -144.1 89.1 30.4 78 -1.3 0 0.0 0 0.0 0 0.0 12 36
83 83 GLY G h < T + 0 0 89.0 14.3 -177.4 126.2 61.4 52.0 79 -2.0 0 0.0 0 0.0 0 0.0 6 25
84 84 ASP D t > T - 0 0 -110.3 113.9 -172.0 -162.6 49.5 160.0 0 0.0 87 -0.8 0 0.0 0 0.0 8 24
85 85 PRO P T T 3 TS+ 0 0 -67.0 -16.2 -167.6 57.4 92.8 59.1 0 0.0 0 0.0 0 0.0 0 0.0 5 20
86 86 LYS K T T 3 TS+ 0 0 -97.7 14.0 178.5 146.4 82.2 72.4 0 0.0 0 0.0 0 0.0 0 0.0 5 22
87 87 ALA A t < T - 0 0 -49.7 129.7 -178.9 -165.3 28.5 91.7 84 -0.8 0 0.0 0 0.0 0 0.0 11 31
88 88 LYS K - 0 0 -119.5 151.6 168.9 -165.6 9.4 143.3 0 0.0 0 0.0 0 0.0 0 0.0 10 32
89 89 SER S - 0 0 -131.8 135.4 169.5 -161.9 12.9 153.0 0 0.0 0 0.0 0 0.0 0 0.0 10 40
90 90 LYS K S S S+ 0 0 -85.3 -11.6 -179.1 78.3 80.6 51.6 0 0.0 0 0.0 0 0.0 0 0.0 5 36
91 91 MET M + 0 0 -63.2 -83.3 172.1 156.0 49.9 12.5 0 0.0 93 -1.2 0 0.0 0 0.0 7 42
92 92 THR T + 0 0 91.0 -74.3 159.5 107.0 35.4 114.6 0 0.0 0 0.0 0 0.0 0 0.0 8 32
93 93 PHE F - 0 0 -30.3 130.5 177.6 -166.1 53.6 93.3 91 -1.2 0 0.0 0 0.0 0 0.0 6 34
94 94 LYS K - 0 0 -125.8 145.4 160.4 -134.0 22.2 165.0 0 0.0 0 0.0 0 0.0 0 0.0 8 38
95 95 LEU L - 0 0 -86.7 137.6 -176.1 -178.2 21.6 144.8 71 -2.5 0 0.0 0 0.0 0 0.0 9 34
96 96 THR T + 0 0 -114.6 -10.8 -168.2 86.1 53.6 47.5 0 0.0 0 0.0 0 0.0 0 0.0 7 27
97 97 LYS K h > T - 0 0 -105.4 129.1 -171.1 -148.8 65.4 124.9 0 0.0 101 -1.8 0 0.0 0 0.0 6 26
98 98 ASP D H H > TS+ 0 0 -67.0 -36.0 179.5 53.5 97.4 29.5 0 0.0 102 -2.4 0 0.0 0 0.0 6 28
99 99 ASP D H H > TS+ 0 0 -61.7 -49.5 178.5 52.3 109.3 28.1 0 0.0 103 -2.2 0 0.0 0 0.0 7 31
100 100 GLU E H H > TS+ 0 0 -48.4 -47.2 -171.4 47.1 110.0 27.5 0 0.0 104 -3.1 0 0.0 0 0.0 11 37
101 101 ILE I H H X TS+ 0 0 -66.2 -48.6 -177.1 47.7 113.1 28.5 97 -1.8 105 -1.8 0 0.0 0 0.0 13 44
102 102 GLU E H H X TS+ 0 0 -53.1 -49.6 172.5 45.4 115.3 20.4 98 -2.4 106 -1.7 0 0.0 0 0.0 13 39
103 103 ASN N H H X TS+ 0 0 -55.2 -50.0 178.1 52.8 111.3 16.1 99 -2.2 107 -2.4 0 0.0 0 0.0 17 38
104 104 VAL V H H X TS+ 0 0 -55.6 -40.4 -178.3 48.4 111.1 30.3 100 -3.1 108 -3.1 0 0.0 0 0.0 15 50
105 105 ILE I H H X TS+ 0 0 -67.1 -41.6 -179.9 54.8 105.8 26.7 101 -1.8 109 -1.1 0 0.0 0 0.0 14 51
106 106 ALA A H H < TS+ 0 0 -61.4 -31.8 177.9 46.9 111.5 27.3 102 -1.7 0 0.0 0 0.0 0 0.0 13 40
107 107 TYR Y H H X > TS+ 0 0 -86.1 -25.6 163.5 57.9 105.4 15.3 103 -2.4 110 -2.1 0 0.0 111 -0.5 13 43
108 108 LEU L H H < > TS+ 0 0 -59.5 -24.0 -174.7 64.5 98.5 43.6 104 -3.1 111 -0.8 0 0.0 0 0.0 12 51
109 109 LYS K T h < 3 TS+ 0 0 -79.0 -14.7 177.1 56.3 94.9 40.5 105 -1.1 0 0.0 0 0.0 0 0.0 9 38
110 110 THR T T T 4 < TS+ 0 0 -86.8 -6.9 179.2 77.5 88.6 47.4 107 -2.1 112 -1.3 0 0.0 0 0.0 7 33
111 111 LEU L t < < T 0 0 -99.4 66.7 -173.8 999.9 999.9 110.7 108 -0.8 34 -2.6 107 -0.5 0 0.0 11 32
112 112 LYS K 0 0 67.1 999.9 999.9 999.9 999.9 26.7 110 -1.3 0 0.0 0 0.0 0 0.0 8 28
3c2c-.pdb
3C2C ELECTRON TRANSPORT PROTEIN (CYTOCHROME) CYTOCHROME $C=2= (REDUCED) (RHODOSPIRILLUM $RUBRUM)
author author
Kabs/Sand HHHHHHHGGGGTTT STT SSS TT TTSBSS TTS HHHHHHHHTT B HHHHHHHHH HHHHHHHHH TT S HHH Kabs/Sand
chirality --++++++++++++++--+-++--+-+---++++-+--+++-++----++++++++-+--+-++++++++--++++++++-+-++---+++---+-+++ chirality
bends SSSSSSSSSSSSSS SSS SSS SS SSS SS SSS SSSSSSSSS SSSSSSSSS SSSSSSSSS SS S SSS bends
turns TTTTTTTTTTTTTTTT TTTT TTTTTTT TTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >>>X33< >33X33< >33< >>3<< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A A bridge-1
sheets sheets
4-turns >>>>X<<<< >444< >>>>XX<<<< >>>>XXX<<>>XXX<<<< >>>> 4-turns
summary hHHHHHHHhGGGgTTt tTTt SSS tTTtTTtBSS tTTt hHHHHHHHHhTtB hHHHHHHHHHhHHHHHHHHHhtTTt S hHHH summary
sequence EGDAAAGEKVSKKCLACHTFDQGGANKVGPNLFGVFENTAAHKDNYAYSESYTEMKAKGLTWTEANLAAYVKNPKAFVLEKSGDPKAKSKMTFKLTKDDE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHTT Kabs/Sand
chirality ++++++++++ chirality
bends SSSSSSSSSS bends
turns TTTTTTTTTTT turns
5-turns 5-turns
3-turns >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXX