Secondary structure calculation program - copyright by David Keith Smith, 1989
1jmvA.pdb
1JMV CHAPERONE MOL_ID: 1; MOL_ID: 1;
Sequence length - 140
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 0 999.9 134.5 -178.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 21
2 A 2 TYR Y - 0 0 -67.9 138.2 179.4 -178.5 999.9 112.5 0 0.0 0 0.0 0 0.0 0 0.0 10 32
3 A 3 LYS K S e S+ 0 0 -106.1 -24.7 -177.2 22.7 72.6 47.1 0 0.0 32 -2.7 0 0.0 0 0.0 10 34
4 A 4 HIS H E E Aa - 32 0 -152.2 109.8 -179.8 -167.5 63.5 147.7 0 0.0 104 -2.3 0 0.0 105 -1.3 13 44
5 A 5 ILE I E E Aab - 33 105 -98.1 138.8 177.4 -160.4 5.6 141.0 32 -2.9 34 -2.8 0 0.0 0 0.0 16 57
6 A 6 LEU L E E Aab - 34 106 -116.7 123.1 177.1 -162.8 4.2 169.1 105 -2.9 107 -2.6 0 0.0 8 -0.5 14 71
7 A 7 VAL V E E Aab - 35 107 -108.5 128.6 -178.6 -151.6 7.1 158.5 34 -2.5 36 -2.4 0 0.0 9 -0.7 14 72
8 A 8 ALA A E E Aa - 36 0 -99.1 115.4 -178.8 -165.2 15.9 150.3 107 -2.8 0 0.0 6 -0.5 0 0.0 13 78
9 A 9 VAL V E E Aa - 37 0 -101.6 148.6 179.2 -155.7 21.7 139.2 36 -2.4 38 -0.5 7 -0.7 0 0.0 14 62
10 A 10 ASP D - 0 0 -99.4 1.4 179.5 -120.5 42.2 65.4 0 0.0 0 0.0 0 0.0 0 0.0 8 54
11 A 11 LEU L + 0 0 69.2 14.9 177.1 142.8 65.3 54.9 0 0.0 0 0.0 0 0.0 0 0.0 10 44
12 A 12 SER S S t > TS- 0 0 -74.2 168.6 -179.2 -96.6 72.4 105.3 0 0.0 15 -2.0 0 0.0 0 0.0 6 36
13 A 13 GLU E T T 3 TS+ 0 0 -63.4 -15.6 179.8 61.4 124.5 47.7 0 0.0 0 0.0 0 0.0 0 0.0 5 27
14 A 14 GLU E T h > > TS+ 0 0 -90.1 -2.2 179.4 101.9 71.2 62.7 0 0.0 18 -1.2 0 0.0 17 -1.1 10 33
15 A 15 SER S H H > < TS+ 0 0 -50.3 -40.0 179.6 61.2 73.4 32.0 12 -2.0 19 -2.6 0 0.0 0 0.0 10 45
16 A 16 PRO P H H > 3 TS+ 0 0 -56.4 -37.9 179.3 55.1 100.8 27.0 0 0.0 20 -3.0 0 0.0 0 0.0 8 43
17 A 17 ILE I H H > < TS+ 0 0 -60.7 -43.7 -179.9 46.0 109.1 24.7 14 -1.1 21 -1.9 0 0.0 0 0.0 8 38
18 A 18 LEU L H H X TS+ 0 0 -66.1 -42.4 179.7 51.1 112.9 23.7 14 -1.2 22 -2.2 0 0.0 0 0.0 14 49
19 A 19 LEU L H H X TS+ 0 0 -62.2 -42.9 179.6 51.3 108.2 24.1 15 -2.6 23 -2.3 0 0.0 0 0.0 11 56
20 A 20 LYS K H H X TS+ 0 0 -62.8 -41.2 177.8 49.5 109.6 24.2 16 -3.0 24 -2.1 0 0.0 0 0.0 9 42
21 A 21 LYS K H H X TS+ 0 0 -61.3 -44.1 -179.2 49.5 111.7 22.9 17 -1.9 25 -1.5 0 0.0 0 0.0 8 41
22 A 22 ALA A H H X TS+ 0 0 -64.6 -35.9 179.0 52.1 108.8 30.2 18 -2.2 26 -2.3 0 0.0 0 0.0 12 53
23 A 23 VAL V H H X TS+ 0 0 -65.4 -43.2 179.4 56.3 104.7 22.3 19 -2.3 27 -2.6 0 0.0 0 0.0 11 44
24 A 24 GLY G H H X TS+ 0 0 -55.3 -40.7 178.8 44.2 111.4 28.4 20 -2.1 28 -1.3 0 0.0 0 0.0 8 35
25 A 25 ILE I H H X TS+ 0 0 -71.8 -42.0 -178.3 54.8 109.6 26.0 21 -1.5 29 -1.6 0 0.0 0 0.0 8 41
26 A 26 ALA A H H X >TS+ 0 0 -60.1 -39.0 179.7 51.5 107.2 28.2 22 -2.3 31 -2.6 0 0.0 30 -0.8 14 38
27 A 27 LYS K H H < >5TS+ 0 0 -63.4 -43.6 -179.3 52.7 107.0 24.6 23 -2.6 30 -0.5 0 0.0 0 0.0 8 28
28 A 28 ARG R H H < 35TS+ 0 0 -62.0 -34.0 -178.6 34.3 120.0 32.8 24 -1.3 0 0.0 0 0.0 0 0.0 7 20
29 A 29 HIS H H H < 35TS- 0 0 -100.2 -2.1 -175.7 -127.5 102.2 65.1 25 -1.6 0 0.0 0 0.0 0 0.0 9 25
30 A 30 ASP D T h < <5T + 0 0 50.9 49.2 -177.7 158.4 59.7 20.7 26 -0.8 0 0.0 27 -0.5 0 0.0 8 26
31 A 31 ALA A t T - 0 0 -59.9 138.0 -179.6 -129.8 45.3 109.0 0 0.0 45 -1.6 0 0.0 0 0.0 8 19
43 A 43 SER S G G > TS+ 0 0 -57.8 -37.2 -178.7 63.8 104.4 33.5 0 0.0 46 -1.6 0 0.0 0 0.0 8 25
44 A 44 ASP D G G 3 TS+ 0 0 -66.2 -13.5 179.8 56.4 98.2 50.0 0 0.0 0 0.0 0 0.0 0 0.0 5 17
45 A 45 LEU L G G < TS+ 0 0 -105.3 20.3 179.3 125.1 75.1 81.6 42 -1.6 47 -0.5 0 0.0 0 0.0 8 18
46 A 46 TYR Y g < T + 0 0 -83.3 124.7 -178.7 176.4 30.5 133.7 43 -1.6 0 0.0 0 0.0 0 0.0 11 26
47 A 47 THR T - 0 0 -110.5 7.0 179.6 -86.6 50.0 71.5 45 -0.5 0 0.0 0 0.0 0 0.0 6 26
48 A 48 GLY G - 0 0 114.2 172.1 -179.4 -46.4 57.3 117.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
49 A 49 LEU L - 0 0 -83.0 151.6 178.4 -142.4 42.9 118.9 0 0.0 0 0.0 0 0.0 0 0.0 11 44
50 A 50 ILE I E E AD - 85 0 -115.5 126.2 177.5 -143.5 7.1 164.4 85 -3.0 85 -2.1 0 0.0 52 -1.1 8 45
51 A 51 ASP D E E >AD T - 84 0 -87.0 100.1 -177.7 -172.5 17.2 141.5 0 0.0 55 -2.5 0 0.0 0 0.0 10 44
52 A 52 VAL V H H > TS+ 0 0 -68.6 -24.0 178.8 59.2 81.9 41.3 83 -2.1 56 -2.4 50 -1.1 0 0.0 12 42
53 A 53 ASN N H H > TS+ 0 0 -68.5 -47.5 178.9 43.3 109.3 18.2 83 -0.9 57 -2.1 0 0.0 0 0.0 10 37
54 A 54 MET M H H > TS+ 0 0 -62.4 -46.8 178.9 53.8 112.1 21.8 0 0.0 58 -1.3 0 0.0 0 0.0 7 27
55 A 55 SER S H H < >>TS+ 0 0 -52.7 -51.4 -179.9 51.8 107.3 17.1 51 -2.5 60 -2.3 0 0.0 58 -1.3 11 28
56 A 56 SER S H H < >5TS+ 0 0 -49.6 -52.1 -179.2 51.6 107.7 21.8 52 -2.4 59 -1.7 0 0.0 0 0.0 9 29
57 A 57 MET M H H < 35TS+ 0 0 -60.3 -22.1 -179.3 41.6 115.7 46.4 53 -2.1 0 0.0 0 0.0 0 0.0 7 18
58 A 58 GLN Q T h < <5TS- 0 0 -111.3 12.2 179.3 -115.2 112.7 78.3 54 -1.3 0 0.0 55 -1.3 0 0.0 6 15
59 A 59 ASP D T T <5TS+ 0 0 56.2 42.1 -179.6 130.3 76.2 29.2 56 -1.7 0 0.0 0 0.0 0 0.0 6 17
60 A 60 ARG R t T - 0 0 -105.9 152.7 179.0 -135.2 69.5 137.7 0 0.0 67 -2.1 0 0.0 0 0.0 6 26
64 A 64 GLU E H H > TS+ 0 0 -69.6 -27.2 179.9 61.9 109.2 37.1 0 0.0 68 -2.7 0 0.0 0 0.0 6 26
65 A 65 THR T H H > TS+ 0 0 -63.1 -47.9 179.3 41.9 106.1 21.8 0 0.0 69 -1.8 0 0.0 0 0.0 7 37
66 A 66 GLN Q H H > TS+ 0 0 -66.7 -41.0 -179.7 52.2 114.3 26.2 0 0.0 70 -2.3 0 0.0 0 0.0 11 42
67 A 67 LYS K H H X TS+ 0 0 -61.5 -41.9 -179.8 51.1 108.5 23.6 63 -2.1 71 -2.8 0 0.0 0 0.0 10 38
68 A 68 ALA A H H X TS+ 0 0 -63.4 -38.7 177.8 53.5 107.5 29.1 64 -2.7 72 -2.9 0 0.0 0 0.0 9 40
69 A 69 LEU L H H X TS+ 0 0 -61.8 -44.9 179.0 45.0 111.7 20.2 65 -1.8 73 -2.6 0 0.0 0 0.0 12 52
70 A 70 LEU L H H X TS+ 0 0 -64.0 -43.1 -179.8 49.7 113.8 24.0 66 -2.3 74 -2.4 0 0.0 0 0.0 11 50
71 A 71 ASP D H H X TS+ 0 0 -61.3 -45.8 178.6 47.4 112.4 22.2 67 -2.8 75 -1.4 0 0.0 0 0.0 8 39
72 A 72 LEU L H H X TS+ 0 0 -62.0 -48.0 179.1 50.2 111.3 21.7 68 -2.9 76 -0.8 0 0.0 0 0.0 9 45
73 A 73 ALA A H H < > TS+ 0 0 -58.8 -41.7 179.9 54.9 107.4 24.5 69 -2.6 76 -1.0 0 0.0 0 0.0 10 51
74 A 74 GLU E H H < 3 TS+ 0 0 -61.0 -32.5 -178.8 55.3 104.2 32.1 70 -2.4 0 0.0 0 0.0 0 0.0 7 32
75 A 75 SER S H H < 3 TS+ 0 0 -74.5 -19.2 -178.0 106.6 83.7 46.8 71 -1.4 0 0.0 0 0.0 0 0.0 6 30
76 A 76 VAL V S h < < TS- 0 0 -66.5 134.1 179.9 -134.4 72.2 114.2 73 -1.0 78 -1.8 72 -0.8 0 0.0 10 39
77 A 77 ASP D S S S+ 0 0 -85.5 58.9 -179.6 67.5 83.7 111.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
78 A 78 TYR Y S S S- 0 0 -168.2 148.4 179.5 -92.6 96.7 159.2 76 -1.8 0 0.0 0 0.0 0 0.0 6 37
79 A 79 PRO P - 0 0 -72.9 128.0 180.0 -145.1 42.2 125.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
80 A 80 ILE I - 0 0 -95.8 132.1 179.4 -169.0 13.7 143.4 0 0.0 0 0.0 0 0.0 0 0.0 12 45
81 A 81 SER S + 0 0 -83.0 -84.2 179.3 16.7 67.1 24.6 33 -3.1 0 0.0 0 0.0 0 0.0 8 45
82 A 82 GLU E e - 0 0 -93.4 153.4 177.7 -164.6 55.6 129.3 0 0.0 35 -2.5 0 0.0 0 0.0 10 54
83 A 83 LYS K E E Ac + 35 0 -132.0 105.7 -174.6 178.2 27.3 164.0 0 0.0 52 -2.1 0 0.0 53 -0.9 14 56
84 A 84 LEU L E E AcD - 36 51 -121.3 154.0 179.5 -171.0 20.1 148.0 35 -2.9 37 -2.0 0 0.0 0 0.0 14 62
85 A 85 SER S E E AcD + 37 50 -138.9 145.6 178.9 165.8 11.3 168.9 50 -2.1 50 -3.0 0 0.0 0 0.0 13 58
86 A 86 GLY G E E Ac - 38 0 -158.3 152.8 -179.7 -143.4 23.7 170.4 37 -1.7 39 -3.3 0 0.0 0 0.0 14 54
87 A 87 SER S E E Ac + 39 0 -125.8 118.7 -179.7 49.7 61.0 165.5 0 0.0 0 0.0 0 0.0 0 0.0 14 38
88 A 88 GLY G E E Ac S+ 40 0 159.6 -150.2 179.8 2.5 92.4 170.9 39 -1.8 41 -1.7 0 0.0 0 0.0 15 34
89 A 89 ASP D h > T - 0 0 -71.6 132.8 -179.2 -131.3 61.6 120.5 0 0.0 93 -3.4 0 0.0 0 0.0 11 38
90 A 90 LEU L H H > TS+ 0 0 -48.8 -58.9 179.5 39.1 107.2 21.6 0 0.0 94 -2.8 0 0.0 0 0.0 9 52
91 A 91 GLY G H H > TS+ 0 0 -61.1 -37.6 179.8 54.6 116.1 28.2 0 0.0 95 -2.5 0 0.0 0 0.0 12 52
92 A 92 GLN Q H H > TS+ 0 0 -59.6 -54.6 -178.0 39.0 113.7 13.1 0 0.0 96 -1.7 0 0.0 0 0.0 11 43
93 A 93 VAL V H H X TS+ 0 0 -65.7 -43.6 -179.1 46.7 118.7 24.5 89 -3.4 97 -1.9 0 0.0 0 0.0 14 52
94 A 94 LEU L H H X TS+ 0 0 -67.0 -39.5 -179.6 54.4 109.4 26.2 90 -2.8 98 -2.8 0 0.0 0 0.0 11 64
95 A 95 SER S H H X TS+ 0 0 -59.1 -42.3 -179.9 51.1 107.8 26.1 91 -2.5 99 -2.2 0 0.0 0 0.0 11 53
96 A 96 ASP D H H X TS+ 0 0 -61.3 -49.7 179.6 45.5 112.0 20.0 92 -1.7 100 -2.8 0 0.0 0 0.0 9 46
97 A 97 ALA A H H X TS+ 0 0 -61.0 -46.1 -179.0 52.2 111.5 22.9 93 -1.9 101 -2.6 0 0.0 0 0.0 11 53
98 A 98 ILE I H H < >TS+ 0 0 -57.3 -42.5 -179.0 44.3 113.8 25.0 94 -2.8 103 -1.9 0 0.0 0 0.0 13 52
99 A 99 GLU E H H < >5TS+ 0 0 -70.2 -46.4 180.0 47.6 114.3 23.5 95 -2.2 102 -0.6 0 0.0 0 0.0 8 34
100 A 100 GLN Q H H < 35TS+ 0 0 -65.2 -37.2 -177.5 35.8 120.8 31.3 96 -2.8 0 0.0 0 0.0 0 0.0 6 34
101 A 101 TYR Y T h < 35TS- 0 0 -107.0 16.0 176.9 -116.6 104.5 75.5 97 -2.6 0 0.0 0 0.0 0 0.0 6 39
102 A 102 ASP D T T <5T + 0 0 54.8 48.8 -179.9 178.3 47.3 24.6 99 -0.6 0 0.0 0 0.0 0 0.0 7 31
103 A 103 VAL V t > T - 0 0 -46.4 131.0 -178.0 -117.3 59.0 97.0 0 0.0 118 -2.3 0 0.0 117 -0.8 6 16
115 A 115 TRP W H H > 3 TS+ 0 0 -39.5 -58.6 -177.6 44.8 109.9 31.2 0 0.0 119 -2.9 0 0.0 0 0.0 7 17
116 A 116 SER S H H > 3 TS+ 0 0 -64.0 -31.3 177.5 53.5 110.9 36.0 0 0.0 120 -2.1 0 0.0 0 0.0 6 14
117 A 117 LYS K H H > < TS+ 0 0 -66.7 -46.7 179.4 46.1 112.1 19.8 114 -0.8 121 -2.3 0 0.0 0 0.0 8 18
118 A 118 LEU L H H X TS+ 0 0 -60.5 -51.7 -179.1 47.6 113.5 17.9 114 -2.3 122 -2.7 0 0.0 0 0.0 11 26
119 A 119 MET M H H X TS+ 0 0 -61.2 -36.6 178.4 52.5 110.5 28.0 115 -2.9 123 -2.6 0 0.0 0 0.0 8 26
120 A 120 SER S H H X TS+ 0 0 -64.1 -47.1 178.9 44.4 112.4 18.6 116 -2.1 124 -1.9 0 0.0 0 0.0 8 23
121 A 121 SER S H H X TS+ 0 0 -62.2 -41.9 179.3 52.0 113.7 24.9 117 -2.3 125 -1.6 0 0.0 0 0.0 8 40
122 A 122 THR T H H X TS+ 0 0 -60.6 -45.8 -179.3 49.5 108.5 22.5 118 -2.7 126 -3.0 0 0.0 0 0.0 9 39
123 A 123 ARG R H H X TS+ 0 0 -62.6 -37.8 -179.8 58.3 105.4 28.0 119 -2.6 127 -2.7 0 0.0 0 0.0 8 30
124 A 124 GLN Q H H < TS+ 0 0 -58.2 -42.7 178.8 38.6 113.1 25.6 120 -1.9 0 0.0 0 0.0 0 0.0 9 30
125 A 125 VAL V H H X > TS+ 0 0 -72.3 -46.8 179.7 57.4 112.7 22.0 121 -1.6 128 -2.0 0 0.0 129 -0.5 13 42
126 A 126 MET M H H < > TS+ 0 0 -51.1 -43.5 -177.9 56.3 101.4 29.2 122 -3.0 129 -1.3 0 0.0 0 0.0 10 34
127 A 127 ASN N T h < 3 TS+ 0 0 -72.6 -2.9 179.3 52.1 105.6 56.9 123 -2.7 0 0.0 0 0.0 0 0.0 8 25
128 A 128 THR T T T 4 < TS+ 0 0 -106.5 -7.3 -178.8 60.8 107.1 61.8 125 -2.0 0 0.0 0 0.0 0 0.0 9 31
129 A 129 ILE I t < < T - 0 0 -122.4 168.7 -179.2 -158.0 54.4 141.6 126 -1.3 0 0.0 125 -0.5 0 0.0 9 36
130 A 130 LYS K + 0 0 -127.9 20.8 -179.8 81.0 69.6 85.6 0 0.0 0 0.0 0 0.0 0 0.0 6 31
131 A 131 ILE I S S S- 0 0 -126.3 169.8 179.3 -77.4 87.5 142.9 0 0.0 0 0.0 0 0.0 0 0.0 8 36
132 A 132 ASP D E E Ae - 105 0 -62.4 143.1 179.4 -163.2 43.1 109.0 104 -0.8 106 -2.3 0 0.0 0 0.0 7 35
133 A 133 MET M E E Ae - 106 0 -136.8 122.8 178.8 -158.8 7.9 170.8 0 0.0 135 -0.5 0 0.0 0 0.0 9 45
134 A 134 LEU L E E Ae - 107 0 -103.1 123.7 -177.0 -157.9 8.7 156.0 106 -2.8 108 -2.5 0 0.0 136 -0.6 8 43
135 A 135 VAL V E E Ae - 108 0 -106.6 119.2 -170.8 -161.8 14.4 154.6 133 -0.5 0 0.0 0 0.0 0 0.0 9 46
136 A 136 VAL V E E Ae - 109 0 -115.3 131.9 179.8 -132.6 13.9 152.5 108 -2.9 110 -2.0 134 -0.6 0 0.0 9 40
137 A 137 PRO P E E Ae - 110 0 -80.6 140.3 179.9 -162.1 18.1 124.5 0 0.0 0 0.0 0 0.0 0 0.0 8 36
138 A 138 LEU L e - 0 0 -121.6 125.3 -179.4 -169.8 12.7 169.9 110 -2.3 0 0.0 0 0.0 0 0.0 11 31
139 A 139 ARG R 0 0 -119.4 165.0 178.1 999.9 999.9 141.2 0 0.0 0 0.0 0 0.0 0 0.0 6 23
140 A 140 ASP D 0 0 43.8 999.9 999.9 999.9 999.9 31.4 0 0.0 0 0.0 0 0.0 0 0.0 3 16
1jmvA.pdb
1JMV CHAPERONE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SEEEEEE STTHHHHHHHHHHHHHHHT EEEEEEEEE GGG EEHHHHHHTT HHHHHHHHHHHHSSS EEEEEE HHHHHHHHHHH Kabs/Sand
chirality -+-------+-++++++++++++++++-+--+------+--++++-----++++++-++++-++++++++++++-+---+-+-+-++-+++++++++++ chirality
bends S SSSSSSSSSSSSSSSSSS SSS SSSSSSSS SSSSSSSSSSSSSSS S SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >5555< >5555< >55 5-turns
3-turns >3><3< >33< >>3<< >>3<< >33< >3 3-turns
bridge-2 bbb cccccc DD bridge-2
bridge-1 aaaaaa aaaaaa DD cccccc bridge-1
sheets AAAAAA AAAAAAAAA AA AAAAAA sheets
4-turns >>>>XXXXXXXXX<<<< >>>><<<< >>>>XXXXXX<<<< >>>>XXXXX<<< 4-turns
summary eEEEEEE tThHHHHHHHHHHHHHHHhtEEEEEEEEEegGGGg EEHHHHHHhTt hHHHHHHHHHHHHhSS eEEEEEEhHHHHHHHHHHH summary
sequence MYKHILVAVDLSEESPILLKKAVGIAKRHDAKLSIIHVDVNFSDLYTGLIDVNMSSMQDRISTETQKALLDLAESVDYPISEKLSGSGDLGQVLSDAIEQ sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TT EEEEEE HHHHHHHHHHHHTT SEEEEEE Kabs/Sand
chirality -+-+--+----+--++++++++++++++-+-------- chirality
bends S SSSSSSSSSSSSSS S bends
turns TTT TTTTTTTTTTTTTTTT turns
5-turns 55< 5-turns
3-turns 3< >33< >>3<< 3-turns
bridge-2 eeeeee bridge-2
bridge-1 bbb eeeeee bridge-1
sheets AAAAAA AAAAAA sheets
4-turns < >>>>XXXXXX