Secondary structure calculation program - copyright by David Keith Smith, 1989
1mngA.pdb
1MNG OXIDOREDUCTASE(SUPEROXIDE ACCEPTOR) MANGANESE SUPEROXIDE DISMUTASE (E.C.1.15.1.1) COMP (THERMUS THERMOPHILUS, HB8)
Sequence length - 203
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 PRO P 0 0 999.9 -175.1 -179.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 31
2 A 2 TYR Y + 0 0 -68.3 139.6 -0.7 44.7 999.9 111.5 51 -0.9 0 0.0 0 0.0 0 0.0 9 34
3 A 3 PRO P S S S- 0 0 -80.2 137.1 -179.3 -151.1 88.5 62.8 0 0.0 0 0.0 0 0.0 0 0.0 6 33
4 A 4 PHE F - 0 0 -78.2 145.6 -177.5 -149.0 8.5 118.2 0 0.0 0 0.0 0 0.0 0 0.0 8 40
5 A 5 LYS K - 0 0 -118.6 146.3 173.5 -110.7 20.3 156.4 0 0.0 0 0.0 0 0.0 0 0.0 5 39
6 A 6 LEU L - 0 0 -67.2 119.7 -179.8 -127.9 44.4 124.7 0 0.0 0 0.0 0 0.0 0 0.0 7 40
7 A 7 PRO P - 0 0 -70.4 154.3 176.8 -97.9 26.5 112.3 0 0.0 0 0.0 0 0.0 0 0.0 5 39
8 A 8 ASP D - 0 0 -62.6 146.3 172.6 -134.3 24.8 117.4 0 0.0 0 0.0 0 0.0 0 0.0 4 31
9 A 9 LEU L - 0 0 -63.8 -46.1 175.5 -143.9 32.0 20.9 0 0.0 0 0.0 0 0.0 0 0.0 8 38
10 A 10 GLY G + 0 0 104.8 -11.9 -178.7 43.5 64.6 73.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
11 A 11 TYR Y S S S- 0 0 -154.2 166.7 179.5 -68.8 98.5 157.5 0 0.0 0 0.0 0 0.0 0 0.0 7 33
12 A 12 PRO P g > T - 0 0 -64.3 144.8 179.5 -118.2 43.8 110.9 0 0.0 15 -2.6 0 0.0 0 0.0 6 30
13 A 13 TYR Y G G > TS+ 0 0 -51.2 -33.6 179.1 53.1 115.6 34.7 0 0.0 16 -0.5 0 0.0 0 0.0 9 31
14 A 14 GLU E G G > TS+ 0 0 -86.1 7.5 -177.8 102.1 77.0 65.1 0 0.0 17 -1.5 0 0.0 0 0.0 8 26
15 A 15 ALA A G G < TS+ 0 0 -63.2 -24.2 -175.8 49.5 80.6 42.4 12 -2.6 0 0.0 0 0.0 0 0.0 8 32
16 A 16 LEU L G G > X TS+ 0 0 -100.7 9.1 176.1 162.9 88.4 69.5 13 -0.5 20 -1.3 0 0.0 19 -1.1 11 42
17 A 17 GLU E T g 4 < T + 0 0 -64.8 146.9 0.4 20.6 57.4 112.9 14 -1.5 0 0.0 0 0.0 0 0.0 8 32
18 A 18 PRO P T T 4 3 TS+ 0 0 -90.6 6.8 -179.4 53.5 125.5 168.1 0 0.0 0 0.0 0 0.0 0 0.0 5 29
19 A 19 HIS H T T 4 < TS+ 0 0 -69.6 -43.7 175.8 14.2 124.7 29.0 16 -1.1 0 0.0 0 0.0 0 0.0 10 39
20 A 20 ILE I S t < TS- 0 0 -133.7 131.7 -179.7 -118.3 90.3 175.1 16 -1.3 0 0.0 0 0.0 0 0.0 12 49
21 A 21 ASP D h > T - 0 0 -70.6 152.0 -178.1 -124.0 14.3 110.4 0 0.0 25 -2.0 0 0.0 0 0.0 12 35
22 A 22 ALA A H H > TS+ 0 0 -63.2 -39.8 -177.6 56.8 108.8 33.7 0 0.0 26 -2.2 0 0.0 0 0.0 11 33
23 A 23 LYS K H H > TS+ 0 0 -62.5 -41.0 178.3 49.0 107.1 23.0 0 0.0 27 -2.5 0 0.0 0 0.0 7 30
24 A 24 THR T H H > TS+ 0 0 -63.1 -47.2 -179.9 52.5 109.6 18.7 0 0.0 28 -3.1 0 0.0 0 0.0 12 42
25 A 25 MET M H H X TS+ 0 0 -57.3 -44.6 179.5 46.7 111.6 23.7 21 -2.0 29 -2.1 0 0.0 0 0.0 11 49
26 A 26 GLU E H H X TS+ 0 0 -61.4 -55.5 -179.5 38.4 118.4 14.2 22 -2.2 30 -2.9 0 0.0 0 0.0 10 37
27 A 27 ILE I H H X >TS+ 0 0 -62.0 -44.4 -179.4 53.8 115.4 24.8 23 -2.5 32 -2.1 0 0.0 31 -1.7 9 32
28 A 28 L HIS H H H < >TS+ 0 0 -56.6 -49.7 179.2 33.2 119.7 22.4 24 -3.1 33 -2.3 0 0.0 0 0.0 11 50
29 A 29 HIS H H H < >TS+ 0 0 -72.5 -60.3 -176.2 33.6 128.3 15.8 25 -2.1 34 -1.0 0 0.0 0 0.0 11 49
30 A 30 GLN Q H H < 5TS+ 0 0 -68.2 -42.0 -175.3 25.2 131.7 25.3 26 -2.9 0 0.0 0 0.0 0 0.0 8 34
31 A 31 LYS K T h X 5TS+ 0 0 -92.7 -51.1 -177.3 34.2 128.1 20.1 27 -1.7 35 -1.8 0 0.0 0 0.0 9 30
32 A 32 HIS H H H > TS+ 0 0 -58.3 -51.0 -176.5 41.8 115.5 15.8 39 -1.7 46 -0.7 0 0.0 0 0.0 10 41
44 A 44 LEU L H H < > TS+ 0 0 -74.6 -16.6 -179.4 87.8 91.9 51.4 40 -2.1 47 -1.8 0 0.0 0 0.0 12 44
45 A 45 GLU E H H < 3 TS+ 0 0 -52.6 -43.7 -178.8 50.4 87.1 28.6 41 -1.5 0 0.0 0 0.0 0 0.0 7 31
46 A 46 LYS K T h < < TS+ 0 0 -79.7 4.3 -178.5 64.4 103.4 60.4 43 -0.7 0 0.0 42 -0.6 0 0.0 6 24
47 A 47 TYR Y g X T + 0 0 -131.7 79.7 179.6 172.9 53.1 131.1 44 -1.8 50 -2.3 0 0.0 0 0.0 7 26
48 A 48 PRO P G G > TS+ 0 0 -52.8 -35.1 -178.0 69.5 76.3 38.3 0 0.0 51 -2.3 0 0.0 0 0.0 7 22
49 A 49 TYR Y G G 3 TS+ 0 0 -64.1 -13.1 178.5 50.5 99.9 44.4 0 0.0 0 0.0 0 0.0 0 0.0 5 22
50 A 50 LEU L G G X TS+ 0 0 -101.4 6.4 -176.0 101.7 82.8 68.7 47 -2.3 53 -1.2 0 0.0 0 0.0 7 36
51 A 51 HIS H T g < TS+ 0 0 -70.6 -17.1 -178.6 47.1 77.6 47.8 48 -2.3 2 -0.9 0 0.0 0 0.0 10 29
52 A 52 GLY G T T 3 TS+ 0 0 -109.9 15.8 -178.0 109.3 87.3 69.9 0 0.0 0 0.0 0 0.0 0 0.0 7 23
53 A 53 VAL V t < T - 0 0 -93.4 134.8 176.2 -126.1 66.7 134.2 50 -1.2 0 0.0 0 0.0 0 0.0 9 30
54 A 54 GLU E h > > T - 0 0 -73.0 153.9 -176.2 -113.1 28.1 116.4 0 0.0 58 -1.6 0 0.0 57 -0.9 8 35
55 A 55 VAL V H H > 3 TS+ 0 0 -61.3 -31.9 179.3 61.6 114.6 33.3 0 0.0 59 -2.2 0 0.0 0 0.0 9 58
56 A 56 GLU E H H > 3 TS+ 0 0 -61.1 -38.2 -178.9 48.7 104.8 29.0 0 0.0 60 -1.5 0 0.0 0 0.0 8 45
57 A 57 VAL V H H > < TS+ 0 0 -71.0 -41.3 176.7 51.7 108.6 26.3 54 -0.9 61 -1.1 0 0.0 0 0.0 8 38
58 A 58 LEU L H H < TS+ 0 0 -60.1 -40.6 -177.4 49.9 110.2 25.0 54 -1.6 0 0.0 0 0.0 0 0.0 11 48
59 A 59 LEU L H H < > TS+ 0 0 -70.7 -32.1 176.3 52.4 108.3 34.8 55 -2.2 62 -0.8 0 0.0 0 0.0 13 47
60 A 60 ARG R H H < 3 TS+ 0 0 -73.7 -17.4 -177.3 39.5 117.5 45.3 56 -1.5 0 0.0 0 0.0 0 0.0 10 32
61 A 61 HIS H T h X > T + 0 0 -124.5 38.5 -179.2 134.9 69.6 97.3 57 -1.1 64 -1.5 0 0.0 65 -0.6 9 32
62 A 62 LEU L G G 4 X T + 0 0 -54.6 -41.0 -177.0 60.2 69.4 30.7 59 -0.8 65 -1.4 0 0.0 0 0.0 11 37
63 A 63 ALA A G G 4 3 TS+ 0 0 -61.1 -21.7 -180.0 55.0 102.4 41.6 0 0.0 0 0.0 0 0.0 0 0.0 5 23
64 A 64 ALA A G G 4 < TS+ 0 0 -86.4 -15.9 -178.6 99.8 88.0 48.3 61 -1.5 0 0.0 0 0.0 0 0.0 5 25
65 A 65 LEU L S g < < TS- 0 0 -74.6 153.1 179.6 -77.8 91.7 107.0 62 -1.4 0 0.0 61 -0.6 0 0.0 9 35
66 A 66 PRO P g > > T - 0 0 -52.3 137.0 -177.4 -120.1 43.1 96.9 0 0.0 69 -1.5 0 0.0 70 -0.7 6 27
67 A 67 GLN Q G G 4 > TS+ 0 0 -46.3 -43.7 -178.0 57.6 108.0 29.4 0 0.0 70 -0.9 0 0.0 0 0.0 5 20
68 A 68 ASP D G G 4 3 TS+ 0 0 -71.8 -14.9 177.4 37.6 113.0 49.4 0 0.0 0 0.0 0 0.0 0 0.0 5 23
69 A 69 ILE I G h > < TS+ 0 0 -117.0 8.4 -178.6 98.8 84.0 68.9 66 -1.5 73 -2.3 0 0.0 0 0.0 10 35
70 A 70 GLN Q H H X < TS+ 0 0 -62.7 -45.9 -180.0 41.4 90.2 22.8 67 -0.9 74 -2.4 66 -0.7 0 0.0 11 37
71 A 71 THR T H H > TS+ 0 0 -66.5 -41.8 178.9 52.6 113.7 20.0 0 0.0 75 -2.7 0 0.0 0 0.0 7 36
72 A 72 ALA A H H > >TS+ 0 0 -59.8 -41.1 -179.9 44.5 113.4 29.7 0 0.0 76 -2.2 0 0.0 77 -0.6 11 40
73 A 73 VAL V H H X >TS+ 0 0 -73.2 -43.4 176.4 49.8 113.3 21.2 69 -2.3 77 -1.6 0 0.0 78 -0.8 14 55
74 A 74 ARG R H H X 5TS+ 0 0 -56.3 -49.6 -174.5 36.9 119.6 20.7 70 -2.4 78 -1.0 0 0.0 0 0.0 12 49
75 A 75 ASN N H H X 5TS+ 0 0 -73.2 -46.3 -175.2 29.6 128.9 21.1 71 -2.7 79 -1.5 0 0.0 0 0.0 12 50
76 A 76 ASN N H H X 5TS+ 0 0 -87.4 -36.0 176.6 48.4 122.1 28.8 72 -2.2 80 -2.4 0 0.0 0 0.0 13 51
77 A 77 GLY G H H X TS+ 0 0 -65.3 -41.5 -178.6 52.7 108.1 27.6 84 -1.3 91 -1.3 0 0.0 0 0.0 11 47
89 A 89 LEU L H H < 3 TS+ 0 0 -68.3 -20.8 179.2 54.5 107.8 44.1 85 -2.0 192 -3.0 0 0.0 0 0.0 12 53
90 A 90 LEU L T h < 3 TS+ 0 0 -92.3 4.4 177.9 134.0 75.9 69.9 86 -1.3 0 0.0 0 0.0 0 0.0 9 58
91 A 91 THR T t X T - 0 0 -56.0 125.1 -179.9 -117.7 59.3 108.4 88 -1.3 94 -0.7 0 0.0 0 0.0 12 45
92 A 92 PRO P T T 3 TS+ 0 0 -62.7 153.6 173.8 43.3 86.9 101.1 0 0.0 0 0.0 0 0.0 0 0.0 9 35
93 A 93 GLY G T T 3 TS+ 0 0 97.0 2.7 -180.0 114.2 81.0 63.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
94 A 94 GLY G S t < TS- 0 0 -101.8 178.4 178.4 -65.9 74.1 111.1 91 -0.7 0 0.0 0 0.0 0 0.0 10 31
95 A 95 ALA A - 0 0 -61.5 140.2 -179.2 -149.8 33.0 111.2 0 0.0 193 -2.4 0 0.0 0 0.0 9 29
96 A 96 LYS K S S S+ 0 0 -92.5 -0.3 178.6 44.5 82.2 70.6 0 0.0 0 0.0 0 0.0 0 0.0 10 34
97 A 97 GLU E S S S- 0 0 -138.3 157.7 -179.7 -77.4 105.8 162.9 0 0.0 0 0.0 0 0.0 0 0.0 6 41
98 A 98 PRO P - 0 0 -59.5 143.8 -180.0 -172.2 52.8 106.8 0 0.0 0 0.0 0 0.0 0 0.0 11 44
99 A 99 VAL V h > > T - 0 0 -133.1 160.4 176.4 -8.4 37.0 150.1 0 0.0 103 -1.3 0 0.0 102 -0.6 11 33
100 A 100 GLY G H H > 3 TS- 0 0 61.9 -137.7 -178.6 -5.5 118.6 99.8 0 0.0 104 -1.8 0 0.0 0 0.0 7 28
101 A 101 GLU E H H > 3 TS+ 0 0 -63.6 -41.8 177.9 52.5 134.7 27.4 0 0.0 105 -2.2 0 0.0 0 0.0 9 32
102 A 102 LEU L H H > < TS+ 0 0 -62.3 -41.0 176.6 54.5 106.7 24.6 99 -0.6 106 -2.7 0 0.0 0 0.0 12 45
103 A 103 LYS K H H X TS+ 0 0 -58.8 -43.7 -179.8 49.3 107.5 18.0 99 -1.3 107 -3.0 0 0.0 0 0.0 11 40
104 A 104 LYS K H H X TS+ 0 0 -62.7 -40.9 178.7 48.4 112.6 18.7 100 -1.8 108 -2.8 0 0.0 0 0.0 9 30
105 A 105 ALA A H H X TS+ 0 0 -65.1 -43.8 179.1 46.7 113.0 22.2 101 -2.2 109 -2.8 0 0.0 0 0.0 9 39
106 A 106 ILE I H H X TS+ 0 0 -64.6 -42.6 -179.9 49.3 113.3 23.8 102 -2.7 110 -2.5 0 0.0 112 -1.0 13 40
107 A 107 ASP D H H X TS+ 0 0 -63.4 -44.0 -178.8 42.9 116.1 20.0 103 -3.0 111 -1.0 0 0.0 0 0.0 10 28
108 A 108 GLU E H H < TS+ 0 0 -66.7 -47.3 -175.6 33.3 123.8 26.9 104 -2.8 0 0.0 0 0.0 0 0.0 8 23
109 A 109 GLN Q H H < TS+ 0 0 -83.0 -34.4 -179.7 21.1 133.8 32.9 105 -2.8 0 0.0 0 0.0 0 0.0 9 30
110 A 110 PHE F H H < TS- 0 0 -110.8 -10.9 -176.6 -110.5 103.0 61.5 106 -2.5 0 0.0 0 0.0 0 0.0 9 30
111 A 111 GLY G S h < TS- 0 0 96.5 -9.3 179.6 -41.2 76.1 73.8 107 -1.0 0 0.0 0 0.0 0 0.0 10 23
112 A 112 GLY G S h > TS- 0 0 139.4 172.9 -179.2 -61.7 76.8 142.6 106 -1.0 116 -1.8 0 0.0 0 0.0 11 28
113 A 113 PHE F H H > TS+ 0 0 -57.4 -46.1 179.7 57.4 124.4 29.4 0 0.0 117 -2.7 0 0.0 0 0.0 12 38
114 A 114 GLN Q H H > TS+ 0 0 -53.1 -48.1 178.8 47.2 107.6 28.6 0 0.0 118 -1.6 0 0.0 0 0.0 7 28
115 A 115 ALA A H H > TS+ 0 0 -64.1 -40.5 179.7 48.7 113.5 25.1 0 0.0 119 -2.1 0 0.0 0 0.0 9 27
116 A 116 LEU L H H X TS+ 0 0 -66.4 -41.5 178.9 53.1 107.8 25.4 112 -1.8 120 -3.3 0 0.0 0 0.0 11 47
117 A 117 LYS K H H X TS+ 0 0 -55.8 -47.0 -178.0 49.3 110.8 27.2 113 -2.7 121 -2.5 0 0.0 0 0.0 8 48
118 A 118 GLU E H H X TS+ 0 0 -60.3 -52.7 179.8 44.8 113.0 15.7 114 -1.6 122 -2.5 0 0.0 0 0.0 8 35
119 A 119 LYS K H H X TS+ 0 0 -58.7 -47.4 179.8 48.0 114.9 27.5 115 -2.1 123 -2.1 0 0.0 0 0.0 9 37
120 A 120 LEU L H H X TS+ 0 0 -62.5 -41.5 175.4 51.9 111.2 29.3 116 -3.3 124 -2.2 0 0.0 0 0.0 13 49
121 A 121 THR T H H X TS+ 0 0 -60.1 -42.8 178.6 49.9 109.1 22.4 117 -2.5 125 -2.3 0 0.0 0 0.0 9 43
122 A 122 GLN Q H H X TS+ 0 0 -62.8 -42.8 179.8 49.2 110.9 25.9 118 -2.5 126 -1.9 0 0.0 0 0.0 8 35
123 A 123 ALA A H H < TS+ 0 0 -64.8 -39.7 -179.5 47.5 113.1 26.6 119 -2.1 0 0.0 0 0.0 0 0.0 12 39
124 A 124 ALA A H H < > TS+ 0 0 -68.4 -40.3 179.4 45.0 114.3 26.8 120 -2.2 127 -0.7 0 0.0 0 0.0 13 47
125 A 125 MET M H H < 3 TS+ 0 0 -71.8 -33.1 -179.2 54.4 111.2 34.3 121 -2.3 0 0.0 0 0.0 0 0.0 9 40
126 A 126 GLY G T h < 3 TS+ 0 0 -81.3 -9.5 176.4 102.3 78.4 63.5 122 -1.9 128 -1.1 0 0.0 0 0.0 6 32
127 A 127 ARG R t < T - 0 0 -76.7 100.0 178.9 -152.4 66.0 138.7 124 -0.7 0 0.0 0 0.0 0 0.0 14 35
128 A 128 PHE F - 0 0 -75.4 131.0 -177.5 -5.3 61.2 126.0 126 -1.1 0 0.0 0 0.0 0 0.0 6 26
129 A 129 GLY G S S S- 0 0 84.2 -150.6 -178.9 -11.5 121.1 125.4 0 0.0 0 0.0 0 0.0 0 0.0 7 27
130 A 130 SER S S e S+ 0 0 -87.0 144.3 177.4 102.1 86.5 127.8 0 0.0 150 -1.9 0 0.0 0 0.0 10 37
131 A 131 GLY G E E AA - 149 0 170.6 -167.7 -176.9 -99.6 55.1 172.0 0 0.0 167 -2.4 0 0.0 0 0.0 15 47
132 A 132 TRP W E E AAB - 148 166 -141.1 152.1 175.8 -138.1 18.4 166.5 148 -1.9 148 -2.2 0 0.0 0 0.0 16 58
133 A 133 ALA A E E AAB - 147 165 -112.4 144.7 -174.3 -167.1 31.0 154.2 165 -2.3 165 -2.5 0 0.0 0 0.0 16 61
134 A 134 TRP W E E AAB - 146 164 -139.1 153.0 168.2 -153.1 34.3 162.5 146 -3.1 146 -1.8 0 0.0 136 -0.5 14 63
135 A 135 LEU L E E AAB + 145 163 -114.8 121.0 179.9 172.0 42.7 171.1 163 -2.4 162 -2.7 0 0.0 163 -2.1 13 66
136 A 136 VAL V E E AAB - 144 161 -128.9 165.5 176.4 -138.0 28.3 152.3 144 -2.5 144 -2.2 134 -0.5 0 0.0 14 56
137 A 137 LYS K E E AAB - 143 160 -120.4 145.3 175.3 -151.0 14.1 159.1 160 -2.4 160 -2.9 0 0.0 0 0.0 14 44
138 A 138 ASP D e > T - 0 0 -108.2 171.9 -179.6 -98.5 35.9 135.8 142 -2.4 141 -1.7 0 0.0 0 0.0 11 32
139 A 139 PRO P T T 3 TS+ 0 0 -63.4 -13.5 -176.2 64.5 118.6 50.8 0 0.0 0 0.0 0 0.0 0 0.0 6 23
140 A 140 PHE F T T 3 TS- 0 0 -96.6 10.3 -179.8 -104.9 118.7 74.1 0 0.0 0 0.0 0 0.0 0 0.0 4 17
141 A 141 GLY G S t < TS+ 0 0 79.7 10.9 179.8 130.7 77.9 57.0 138 -1.7 0 0.0 0 0.0 0 0.0 6 30
142 A 142 LYS K e - 0 0 -97.4 153.4 179.9 -138.6 48.4 135.8 0 0.0 138 -2.4 0 0.0 0 0.0 8 32
143 A 143 LEU L E E AA - 137 0 -106.7 144.2 177.1 -172.7 19.7 145.1 0 0.0 0 0.0 0 0.0 0 0.0 11 49
144 A 144 HIS H E E AA - 136 0 -136.5 148.9 172.2 -147.1 18.6 173.8 136 -2.2 136 -2.5 0 0.0 0 0.0 9 48
145 A 145 VAL V E E AA + 135 0 -110.2 124.1 -179.6 141.4 40.4 158.1 0 0.0 0 0.0 0 0.0 0 0.0 11 50
146 A 146 LEU L E E AA - 134 0 -153.4 171.4 175.9 -129.1 39.4 161.7 134 -1.8 134 -3.1 0 0.0 0 0.0 10 48
147 A 147 SER S E E AA - 133 0 -125.2 158.2 178.5 -156.1 14.1 155.1 0 0.0 0 0.0 0 0.0 0 0.0 11 47
148 A 148 THR T E E AA - 132 0 -130.2 152.7 178.5 -111.2 22.1 158.7 132 -2.2 132 -1.9 0 0.0 0 0.0 12 48
149 A 149 PRO P E E AA > TS- 131 0 -84.5 151.8 172.9 -26.6 73.1 121.6 0 0.0 152 -2.4 0 0.0 0 0.0 10 37
150 A 150 ASN N T e 3 TS- 0 0 53.7 -122.0 173.9 -25.4 125.8 99.3 130 -1.9 0 0.0 0 0.0 0 0.0 10 43
151 A 151 GLN Q T T 3 TS+ 0 0 -106.7 20.1 178.5 139.5 92.0 81.9 0 0.0 0 0.0 0 0.0 0 0.0 13 57
152 A 152 ASP D t < T - 0 0 -62.0 137.3 -179.4 -150.3 40.3 111.1 149 -2.4 0 0.0 0 0.0 0 0.0 12 54
153 A 153 ASN N g > T - 0 0 -111.7 143.7 -179.7 -121.6 19.9 154.7 0 0.0 156 -2.0 0 0.0 0 0.0 10 58
154 A 154 PRO P G G >>TS+ 0 0 -60.6 -11.8 177.1 76.9 103.5 49.3 0 0.0 159 -1.9 0 0.0 157 -1.2 11 54
155 A 155 VAL V G G >5TS+ 0 0 -67.0 -23.5 179.7 72.5 80.3 34.2 0 0.0 158 -1.9 0 0.0 0 0.0 11 50
156 A 156 MET M G G <5TS+ 0 0 -57.3 -33.4 179.4 38.4 104.8 33.9 153 -2.0 0 0.0 0 0.0 0 0.0 11 45
157 A 157 GLU E G G <5TS- 0 0 -102.6 13.7 176.7 -93.1 128.2 81.4 154 -1.2 0 0.0 0 0.0 0 0.0 6 34
158 A 158 GLY G T g <5TS+ 0 0 95.0 -1.0 -179.6 127.3 82.3 64.7 155 -1.9 0 0.0 0 0.0 0 0.0 8 33
159 A 159 PHE F t TS- 0 0 -62.6 145.5 -179.9 -114.7 75.8 120.9 0 0.0 171 -2.0 0 0.0 0 0.0 11 52
169 A 169 GLU E G G > > TS+ 0 0 -56.1 -32.9 178.6 67.6 113.8 34.4 0 0.0 173 -3.1 0 0.0 172 -1.8 8 39
170 A 170 U HIS H G G 4 3 TS+ 0 0 -59.3 -22.7 -179.2 63.5 91.2 42.2 0 0.0 0 0.0 0 0.0 0 0.0 9 41
171 A 171 ALA A G G 4 < TS+ 0 0 -73.4 -19.9 -174.1 6.9 126.1 47.0 168 -2.0 0 0.0 0 0.0 0 0.0 9 58
172 A 172 TYR Y T h > < TS+ 0 0 -143.2 -5.0 -175.4 99.4 97.1 62.8 169 -1.8 176 -2.6 0 0.0 0 0.0 14 45
173 A 173 TYR Y H H X TS+ 0 0 -64.0 -41.3 -179.1 55.3 79.4 32.8 169 -3.1 177 -1.6 0 0.0 0 0.0 9 33
174 A 174 LEU L H H 4 TS+ 0 0 -60.7 -37.9 -179.2 22.9 124.8 25.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27
175 A 175 LYS K H H 4 TS+ 0 0 -96.4 -37.8 -176.8 23.9 138.7 30.7 0 0.0 0 0.0 0 0.0 0 0.0 7 34
176 A 176 TYR Y H H < > TS- 0 0 -107.4 -6.6 -174.7 -168.1 76.0 59.2 172 -2.6 179 -2.4 0 0.0 0 0.0 10 30
177 A 177 GLN Q T h < 3 TS- 0 0 47.9 -122.4 -177.7 -9.1 77.3 107.2 173 -1.6 0 0.0 0 0.0 0 0.0 9 23
178 A 178 ASN N T T 3 TS+ 0 0 -79.9 -5.0 -172.6 103.9 109.0 59.1 0 0.0 180 -2.1 0 0.0 0 0.0 5 24
179 A 179 ARG R h > X T + 0 0 -84.3 70.9 -179.0 159.2 33.4 112.7 176 -2.4 183 -1.4 0 0.0 182 -0.7 7 29
180 A 180 ARG R H H > 3 TS+ 0 0 -58.2 -33.8 178.6 61.3 72.0 30.9 178 -2.1 184 -2.2 0 0.0 0 0.0 11 39
181 A 181 ALA A H H > 3 TS+ 0 0 -63.2 -36.2 178.8 49.7 101.8 29.5 0 0.0 185 -1.9 0 0.0 0 0.0 7 37
182 A 182 ASP D H H > < TS+ 0 0 -69.4 -36.3 177.8 53.5 109.3 32.6 179 -0.7 186 -1.6 0 0.0 0 0.0 8 33
183 A 183 TYR Y H H X TS+ 0 0 -62.2 -42.4 179.4 50.1 108.2 24.7 179 -1.4 187 -2.1 0 0.0 0 0.0 11 44
184 A 184 LEU L H H X TS+ 0 0 -66.9 -39.4 177.1 52.4 107.8 26.3 180 -2.2 188 -1.1 0 0.0 0 0.0 10 49
185 A 185 GLN Q H H < TS+ 0 0 -60.9 -39.0 -178.1 46.5 112.9 27.2 181 -1.9 0 0.0 0 0.0 0 0.0 8 39
186 A 186 ALA A H H < > TS+ 0 0 -72.4 -36.0 179.8 66.8 99.6 32.8 182 -1.6 189 -1.5 0 0.0 0 0.0 10 38
187 A 187 ILE I H H X > TS+ 0 0 -54.8 -36.7 179.0 64.1 91.2 31.2 183 -2.1 190 -1.7 0 0.0 191 -1.2 10 54
188 A 188 TRP W T h < 3 TS+ 0 0 -60.4 -26.6 178.1 60.9 94.7 38.3 184 -1.1 0 0.0 0 0.0 0 0.0 8 52
189 A 189 ASN N T T 4 < TS+ 0 0 -71.6 -20.5 -179.0 35.9 112.6 47.0 186 -1.5 0 0.0 0 0.0 0 0.0 8 36
190 A 190 VAL V T T 4 < TS+ 0 0 -112.8 -7.1 -179.3 117.1 82.7 58.3 187 -1.7 0 0.0 0 0.0 0 0.0 12 47
191 A 191 LEU L t < T - 0 0 -64.7 142.4 179.3 -138.4 57.5 115.1 187 -1.2 193 -0.8 0 0.0 0 0.0 11 52
192 A 192 ASN N h > T - 0 0 -105.3 102.5 -178.9 -176.5 18.8 143.7 89 -3.0 196 -1.6 0 0.0 0 0.0 15 43
193 A 193 TRP W H H > TS+ 0 0 -75.2 -10.9 175.2 64.1 80.7 52.5 95 -2.4 197 -1.6 191 -0.8 0 0.0 13 47
194 A 194 ASP D H H > TS+ 0 0 -76.0 -36.0 175.3 46.4 106.4 29.4 0 0.0 198 -1.5 0 0.0 0 0.0 10 36
195 A 195 VAL V H H > TS+ 0 0 -67.4 -46.3 178.0 52.7 109.6 25.8 0 0.0 199 -2.1 0 0.0 0 0.0 10 42
196 A 196 ALA A H H X TS+ 0 0 -55.9 -38.3 178.9 56.3 106.0 25.1 192 -1.6 200 -2.3 0 0.0 0 0.0 12 51
197 A 197 GLU E H H X TS+ 0 0 -61.2 -44.3 176.3 49.3 105.7 26.0 193 -1.6 201 -2.3 0 0.0 0 0.0 14 41
198 A 198 GLU E H H X TS+ 0 0 -60.9 -45.8 -179.4 50.7 110.4 27.4 194 -1.5 202 -2.4 0 0.0 0 0.0 8 35
199 A 199 PHE F H H < TS+ 0 0 -60.2 -39.8 179.5 48.3 112.1 24.0 195 -2.1 0 0.0 0 0.0 0 0.0 10 46
200 A 200 PHE F H H < > TS+ 0 0 -64.9 -43.0 -177.0 44.2 114.0 25.4 196 -2.3 203 -0.7 0 0.0 0 0.0 11 40
201 A 201 LYS K H H < 3 TS+ 0 0 -66.7 -46.4 -178.6 56.9 108.5 24.4 197 -2.3 0 0.0 0 0.0 0 0.0 8 32
202 A 202 LYS K T h < 3 T 0 0 -65.9 -7.5 179.2 999.9 999.9 55.9 198 -2.4 0 0.0 0 0.0 0 0.0 5 23
203 A 203 ALA A t < T 0 0 -168.0 999.9 999.9 999.9 999.9 79.0 200 -0.7 0 0.0 0 0.0 0 0.0 6 29
1mngA.pdb
1MNG OXIDOREDUCTASE(SUPEROXIDE ACCEPTOR) MANGANESE SUPEROXIDE DISMUTASE (E.C.1.15.1.1) COMP (THERMUS THERMOPHILUS, HB8)
author author
Kabs/Sand S S GGGGTTTS HHHHHHHHHTHHHHHHHHHHHHHHT GGGTT HHHHHHTGGGS GGGHHHHHHHHHHHHHHHHHHHHT TTS SS H Kabs/Sand
chirality +-------+--+++++++--+++++++++++++++++++++++++++++++--++++++++++--++++++++++++++++++++++++-++--+---- chirality
bends S S SSSS SSS SSSSSSSSSSSSSSSSSSSSSSSSS SSSSS SSSSSS SSS SSSSSSSSSSSSSSSSSSSSSSSS SSS SS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TT turns
5-turns >>>55<<< >>555<< 5-turns
3-turns >>>>33X<3<>33< >3>X3<<>>3<< >33X33< >3 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >444<>>>>XXX<<>>XXXXXXXX<<<< >>>><<44>X>>XXXXXXXXXXXXXX<<<< >> 4-turns
summary S SgGGGGgTTthHHHHHHHHHhHHHHHHHHHHHHHHhgGGGgTthHHHHHHhGGGggGGhHHHHHHHHHHHHHHHHHHHHhtTTt SS hH summary
sequence PYPFKLPDLGYPYEALEPHIDAKTMEIHHQKHHGAYVTNLNAALEKYPYLHGVEVEVLLRHLAALPQDIQTAVRNNGGGHLNHSLFWRLLTPGGAKEPVG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHSSHHHHHHHHHHHHHT SSEEEEEEE TTS EEEEEEETT GGGGT EEEEEEE SGGGTHHHHTT HHHHHHHHTTT HHHHHHHH Kabs/Sand
chirality +++++++++---++++++++++++++---+----+---+-+---+-----+--+++-+--++---++-+++++++--+++++++++++++--++++++++ chirality
bends SSSSSSSSSSSSSSSSSSSSSSSSSS SS SSS SSS SSSSS S SSSSSSSSSSS SSSSSSSSSSS SSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 3< >33< >33< >33<>>><<< >>3<< >33X33< >>3<< > 3-turns
bridge-2 BBBBBB bridge-2
bridge-1 AAAAAAA AAAAAAA BB*BBBB bridge-1
sheets AAAAAAA AAAAAAA AAAAAAA sheets
4-turns >>XXXXX<<<<>>>>XXXXXXX<<<< >44>X44<< >>>>XX<>>>XXX<< 4-turns
summary HHHHHHHHHHhhHHHHHHHHHHHHHht SeEEEEEEEeTTteEEEEEEEeTtgGGGGgtEEEEEEEegGGGhHHHHhThHHHHHHHHhTTthHHHHHHHH summary
sequence ELKKAIDEQFGGFQALKEKLTQAAMGRFGSGWAWLVKDPFGKLHVLSTPNQDNPVMEGFTPIVGIDVWEHAYYLKYQNRRADYLQAIWNVLNWDVAEEFF sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HT Kabs/Sand
chirality + chirality
bends S bends
turns TTT turns
5-turns 5-turns
3-turns 33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns << 4-turns
summary Hht summary
sequence KKA sequence